| 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 | 32.6 | Very low | 43 | Very low | 243 Ų | 243 | 139.9 Ų | 139.9 | 100% | 1.197 | 75% | 0.752 | S | S | * | * | 0 | 169.3 | 0 | -75.7 | 175.4 | 165.9 | 0 | 0 | 108.5 | |||||
| 2 | V | 28.7 | Very low | 45 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | trans | 69.9 | 83.5 | -170.9 | -164.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 3 | N | 33.5 | Very low | 46.8 | Very low | 167 Ų | 167 | 126.5 Ų | 126.5 | 89% | 0.893 | 69% | 0.691 | S | S | * | * | trans | -152.1 | 21.9 | 150.5 | -124.2 | -3.4 | 0 | 0 | 0 | 112.2 | ||||
| 4 | Q | 36.4 | Very low | 47.9 | Very low | 180 Ų | 180 | 124.6 Ų | 124.6 | 84% | 0.841 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -110.8 | 114.7 | 165.9 | -79.4 | -178.8 | -25.5 | 0 | 0 | 107.3 | ||
| 5 | S | 32.4 | Very low | 49.2 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 63.7 | 160.3 | 177.7 | 61.8 | 0 | 0 | 0 | 0 | 118.1 | ||
| 6 | Y | 39 | Very low | 50.5 | Low | 195 Ų | 195 | 127.1 Ų | 127.1 | 77% | 0.765 | 67% | 0.668 | S | S | * | * | trans | 84.2 | 108.5 | 170.5 | -60.5 | -78.8 | 0 | 0 | 0 | 120.8 | ||||
| 7 | N | 46.4 | Very low | 51.5 | Low | 123 Ų | 123 | 121.1 Ų | 121.1 | 66% | 0.658 | 64% | 0.636 | S | S | * | * | trans | 50.8 | 135.4 | 140.4 | -63.9 | -6.1 | 0 | 0 | 0 | 122 | S9 | N7-S9 VanDerWaalsContact C-N 3.3Å; N7-S9 PolarHBondContact O-N 2.87Å | ||
| 8 | S | 53.3 | Low | 52.4 | Low | 109 Ų | 109 | 118.6 Ų | 118.6 | 76% | 0.762 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -23.9 | -179.1 | 48.6 | 0 | 0 | 0 | 0 | 115.3 | A10 K11 | S8-A10 PolarHBondContact O-N 3.19Å; S8-K11 PolarHBondContact O-N 3.4Å |
| 9 | S | 57.4 | Low | 53.3 | Low | 85 Ų | 85 | 116.4 Ų | 116.4 | 59% | 0.594 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -36.1 | -178.3 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | N7 K11 G12 | N7-S9 VanDerWaalsContact C-N 3.3Å; N7-S9 PolarHBondContact O-N 2.87Å; S9-K11 PolarHBondContact O-N 3.45Å; S9-G12 PolarHBondContact O-N 3.37Å |
| 10 | A | 55.5 | Low | 54.1 | Low | 53 Ų | 53 | 110.7 Ų | 110.7 | 44% | 0.438 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.9 | -30.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | S8 G12 L14 | S8-A10 PolarHBondContact O-N 3.19Å; A10-G12 PolarHBondContact O-N 3.43Å; A10-L14 WeakPolarHBondContact O-CB 3.13Å; A10-L14 PolarHBondContact O-N 3.45Å |
| 11 | K | 57.9 | Low | 54.6 | Low | 166 Ų | 166 | 108.4 Ų | 108.4 | 72% | 0.722 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.8 | -20.9 | 176.7 | -73.7 | -176.7 | 175.9 | 177.3 | 0 | 113.7 | S8 S9 R15 | S8-K11 PolarHBondContact O-N 3.4Å; S9-K11 PolarHBondContact O-N 3.45Å; K11-R15 PolarHBondContact O-N 3.39Å |
| 12 | G | 67.4 | Low | 56.1 | Low | 38 Ų | 38 | 102.4 Ų | 102.4 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72 | -61.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S9 A10 L14 R15 Q16 | S9-G12 PolarHBondContact O-N 3.37Å; A10-G12 PolarHBondContact O-N 3.43Å; G12-L14 VanDerWaalsContact C-N 3.28Å; G12-L14 PolarHBondContact O-N 3.11Å; G12-R15 WeakPolarHBondContact O-CB 3.47Å; G12-R15 PolarHBondContact O-N 3.41Å; G12-R15 VanDerWaalsContact O-N 3.13Å; G12-Q16 PolarHBondContact O-N 3.4Å |
| 13 | H | 67.5 | Low | 57.9 | Low | 67 Ų | 67 | 102 Ų | 102 | 31% | 0.31 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.2 | -40 | 178.7 | -59.7 | 141.7 | 0 | 0 | 0 | 112.2 | R15 Q16 I17 V32 A36 | H13-R15 VanDerWaalsContact C-N 3.27Å; H13-R15 PolarHBondContact O-N 3.49Å; H13-Q16 WeakPolarHBondContact O-CB 3.18Å; H13-Q16 PolarHBondContact O-N 3.49Å; H13-I17 WeakPolarHBondContact O-CG1 3.32Å; H13-I17 PolarHBondContact O-N 3.42Å; H13-V32 HydrophobicContact CB-CG1 4.49Å; H13-A36 HydrophobicContact CB-CB 3.82Å |
| 14 | L | 62.2 | Low | 59.5 | Low | 101 Ų | 101 | 97.1 Ų | 97.1 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -32.3 | -179.7 | -143.5 | 154.8 | 0 | 0 | 0 | 112.1 | A10 G12 I18 | A10-L14 WeakPolarHBondContact O-CB 3.13Å; A10-L14 PolarHBondContact O-N 3.45Å; G12-L14 VanDerWaalsContact C-N 3.28Å; G12-L14 PolarHBondContact O-N 3.11Å; L14-I18 HydrophobicContact CD2-CD1 3.69Å; L14-I18 HydrophobicContact CD2-CG1 4.33Å; L14-I18 WeakPolarHBondContact O-CB 3.41Å; L14-I18 WeakPolarHBondContact O-CD1 3.43Å; L14-I18 VanDerWaalsContact O-CG1 3.23Å; L14-I18 WeakPolarHBondContact O-CG1 3.46Å; L14-I18 PolarHBondContact O-N 3.41Å; L14-I18 VanDerWaalsContact O-N 3.09Å |
| 15 | R | 68.3 | Low | 61 | Low | 192 Ų | 192 | 91.2 Ų | 91.2 | 73% | 0.725 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.9 | -41.1 | 170.6 | -102.2 | -179.5 | 175.3 | 171.5 | -1.9 | 112.9 | K11 G12 H13 I18 N19 | K11-R15 PolarHBondContact O-N 3.39Å; G12-R15 WeakPolarHBondContact O-CB 3.47Å; G12-R15 PolarHBondContact O-N 3.41Å; G12-R15 VanDerWaalsContact O-N 3.13Å; H13-R15 VanDerWaalsContact C-N 3.27Å; H13-R15 PolarHBondContact O-N 3.49Å; R15-I18 PolarHBondContact O-N 3.16Å; R15-N19 PolarHBondContact O-N 3.17Å; R15-N19 PolarHBondContact O-OD1 3.29Å |
| 16 | Q | 69.2 | Low | 62.7 | Low | 96 Ų | 96 | 89 Ų | 89 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 178.2 | -71.3 | 175.1 | -26.8 | 0 | 0 | 111.4 | G12 H13 I18 N19 A20 V32 | G12-Q16 PolarHBondContact O-N 3.4Å; H13-Q16 WeakPolarHBondContact O-CB 3.18Å; H13-Q16 PolarHBondContact O-N 3.49Å; Q16-I18 PolarHBondContact O-N 3.37Å; Q16-N19 PolarHBondContact O-N 3.03Å; Q16-A20 PolarHBondContact O-N 2.83Å; Q16-V32 HydrophobicContact CB-CB 4.34Å; Q16-V32 HydrophobicContact CB-CG1 3.61Å; Q16-V32 HydrophobicContact CB-CG2 3.76Å |
| 17 | I | 67.8 | Low | 64.1 | Low | 25 Ų | 25 | 85 Ų | 85 | 13% | 0.128 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 172.7 | -65.7 | 172.9 | 0 | 0 | 0 | 110.9 | H13 N19 A20 I21 F29 V32 T33 I38 | H13-I17 WeakPolarHBondContact O-CG1 3.32Å; H13-I17 PolarHBondContact O-N 3.42Å; I17-N19 VanDerWaalsContact C-N 3.26Å; I17-N19 PolarHBondContact O-N 3.37Å; I17-A20 PolarHBondContact O-N 3.34Å; I17-I21 HydrophobicContact CG2-CD1 3.8Å; I17-I21 VanDerWaalsContact O-CG1 3.27Å; I17-I21 WeakPolarHBondContact O-CG1 3.48Å; I17-I21 PolarHBondContact O-N 3.34Å; I17-I21 VanDerWaalsContact O-N 3.07Å; I17-F29 HydrophobicContact CG2-CD2 4.09Å; I17-F29 HydrophobicContact CG2-CE2 3.81Å; I17-V32 HydrophobicContact CD1-CG1 4.34Å; I17-V32 HydrophobicContact CG1-CB 4.3Å; I17-V32 HydrophobicContact CG1-CG1 3.56Å; I17-T33 HydrophobicContact CD1-CG2 4.17Å; I17-T33 HydrophobicContact CG1-CG2 4.43Å; I17-I38 HydrophobicContact CD1-CD1 3.61Å |
| 18 | I | 67.2 | Low | 65.1 | Low | 76 Ų | 76 | 81.8 Ų | 81.8 | 39% | 0.39 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.2 | -35 | 176.9 | -74.5 | 167.2 | 0 | 0 | 0 | 111.9 | L14 R15 Q16 K22 | L14-I18 HydrophobicContact CD2-CD1 3.69Å; L14-I18 HydrophobicContact CD2-CG1 4.33Å; L14-I18 WeakPolarHBondContact O-CB 3.41Å; L14-I18 WeakPolarHBondContact O-CD1 3.43Å; L14-I18 VanDerWaalsContact O-CG1 3.23Å; L14-I18 WeakPolarHBondContact O-CG1 3.46Å; L14-I18 PolarHBondContact O-N 3.41Å; L14-I18 VanDerWaalsContact O-N 3.09Å; R15-I18 PolarHBondContact O-N 3.16Å; Q16-I18 PolarHBondContact O-N 3.37Å; I18-K22 HydrophobicContact CG2-CD 4.32Å; I18-K22 VanDerWaalsContact O-CG 3.28Å; I18-K22 WeakPolarHBondContact O-CG 3.45Å; I18-K22 PolarHBondContact O-N 2.83Å |
| 19 | N | 70 | Confident | 65.9 | Low | 78 Ų | 78 | 78.6 Ų | 78.6 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -73.7 | -45.1 | 177.2 | -72 | -0 | 0 | 0 | 0 | 111.6 | R15 Q16 I17 I21 K22 D23 | R15-N19 PolarHBondContact O-N 3.17Å; R15-N19 PolarHBondContact O-OD1 3.29Å; Q16-N19 PolarHBondContact O-N 3.03Å; I17-N19 VanDerWaalsContact C-N 3.26Å; I17-N19 PolarHBondContact O-N 3.37Å; N19-I21 PolarHBondContact O-N 3.39Å; N19-K22 WeakPolarHBondContact O-CA 3.38Å; N19-K22 WeakPolarHBondContact O-CB 3.31Å; N19-K22 PolarHBondContact O-N 3.48Å; N19-D23 VanDerWaalsContact O-CG 3.31Å; N19-D23 PolarHBondContact O-N 2.94Å |
| 20 | A | 69.6 | Low | 66.4 | Low | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.2 | -38.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q16 I17 K22 D23 D24 D25 T28 F29 | Q16-A20 PolarHBondContact O-N 2.83Å; I17-A20 PolarHBondContact O-N 3.34Å; A20-K22 VanDerWaalsContact C-N 3.33Å; A20-K22 PolarHBondContact O-N 3.25Å; A20-D23 PolarHBondContact O-N 2.97Å; A20-D24 PolarHBondContact O-N 3.23Å; A20-D25 PolarHBondContact O-N 3.02Å; A20-D25 VanDerWaalsContact O-N 3.17Å; A20-T28 WeakPolarHBondContact CB-OG1 3.42Å; A20-F29 HydrophobicContact CB-CB 3.85Å |
| 21 | I | 64.4 | Low | 67 | Low | 63 Ų | 63 | 77.7 Ų | 77.7 | 32% | 0.323 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.7 | -26.6 | 174 | -64 | 168.2 | 0 | 0 | 0 | 112.7 | I17 N19 F29 F68 | I17-I21 HydrophobicContact CG2-CD1 3.8Å; I17-I21 VanDerWaalsContact O-CG1 3.27Å; I17-I21 WeakPolarHBondContact O-CG1 3.48Å; I17-I21 PolarHBondContact O-N 3.34Å; I17-I21 VanDerWaalsContact O-N 3.07Å; N19-I21 PolarHBondContact O-N 3.39Å; I21-F29 HydrophobicContact CD1-CD2 4.37Å; I21-F29 HydrophobicContact CD1-CE2 4.09Å; I21-F29 HydrophobicContact CG1-CD2 3.98Å; I21-F29 HydrophobicContact CG1-CE2 4.16Å; I21-F68 HydrophobicContact CD1-CZ 4.39Å; I21-F68 HydrophobicContact CG1-CE2 4.1Å; I21-F68 HydrophobicContact CG1-CZ 3.74Å |
| 22 | K | 63.8 | Low | 67.4 | Low | 117 Ų | 117 | 70.5 Ų | 70.5 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -78.6 | -33.2 | 175.4 | -78 | 169.9 | 177 | -179.7 | 0 | 112.7 | I18 N19 A20 | I18-K22 HydrophobicContact CG2-CD 4.32Å; I18-K22 VanDerWaalsContact O-CG 3.28Å; I18-K22 WeakPolarHBondContact O-CG 3.45Å; I18-K22 PolarHBondContact O-N 2.83Å; N19-K22 WeakPolarHBondContact O-CA 3.38Å; N19-K22 WeakPolarHBondContact O-CB 3.31Å; N19-K22 PolarHBondContact O-N 3.48Å; A20-K22 VanDerWaalsContact C-N 3.33Å; A20-K22 PolarHBondContact O-N 3.25Å |
| 23 | D | 66.8 | Low | 67.3 | Low | 119 Ų | 119 | 69.1 Ų | 69.1 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 6.8 | -170.5 | -56.1 | -27.9 | 0 | 0 | 0 | 112.5 | N19 A20 D25 | N19-D23 VanDerWaalsContact O-CG 3.31Å; N19-D23 PolarHBondContact O-N 2.94Å; A20-D23 PolarHBondContact O-N 2.97Å; D23-D25 PolarHBondContact O-N 3.44Å; D23-D25 VanDerWaalsContact O-N 3.1Å |
| 24 | D | 66.3 | Low | 67.2 | Low | 65 Ų | 65 | 70.5 Ų | 70.5 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 22.3 | -172.7 | -159 | 32.1 | 0 | 0 | 0 | 113.6 | A20 L26 F68 | A20-D24 PolarHBondContact O-N 3.23Å; D24-L26 PolarHBondContact O-N 3.25Å; D24-F68 WeakPolarHBondContact OD1-CB 3.48Å |
| 25 | D | 68.5 | Low | 67.4 | Low | 55 Ų | 55 | 69.1 Ų | 69.1 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | trans | -90.3 | 87.6 | -175.5 | -178.8 | 11 | 0 | 0 | 0 | 110.9 | A20 D23 N27 T28 F29 | A20-D25 PolarHBondContact O-N 3.02Å; A20-D25 VanDerWaalsContact O-N 3.17Å; D23-D25 PolarHBondContact O-N 3.44Å; D23-D25 VanDerWaalsContact O-N 3.1Å; D25-N27 PolarHBondContact O-N 2.85Å; D25-N27 WeakPolarHBondContact OD1-CB 3.14Å; D25-N27 PolarHBondContact OD1-N 3.35Å; D25-T28 WeakPolarHBondContact CB-OG1 3.35Å; D25-T28 PolarHBondContact O-N 2.94Å; D25-T28 PolarHBondContact O-OG1 3.14Å; D25-T28 PolarHBondContact OD1-N 3.42Å; D25-T28 VanDerWaalsContact OD2-CB 3.29Å; D25-T28 WeakPolarHBondContact OD2-CB 3.37Å; D25-T28 WeakPolarHBondContact OD2-CG2 3.11Å; D25-T28 PolarHBondContact OD2-N 3.05Å; D25-T28 PolarHBondContact OD2-OG1 3.14Å; D25-F29 PolarHBondContact O-N 3.24Å; D25-F29 VanDerWaalsContact O-N 3.08Å | ||
| 26 | L | 68.4 | Low | 67 | Low | 46 Ų | 46 | 61 Ų | 61 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.9 | -29.9 | 174.7 | -171.3 | 64.9 | 0 | 0 | 0 | 112.4 | D24 F29 I30 F68 V71 | D24-L26 PolarHBondContact O-N 3.25Å; L26-F29 PolarHBondContact O-N 3.09Å; L26-I30 HydrophobicContact CD1-CD1 4.45Å; L26-I30 HydrophobicContact CG-CD1 3.99Å; L26-I30 VanDerWaalsContact O-CG1 3.28Å; L26-I30 WeakPolarHBondContact O-CG1 3.15Å; L26-I30 PolarHBondContact O-N 3.49Å; L26-F68 HydrophobicContact CD1-CD2 4.29Å; L26-V71 HydrophobicContact CD1-CG2 4.42Å |
| 27 | N | 68.3 | Low | 66.4 | Low | 111 Ų | 111 | 63 Ų | 63 | 59% | 0.594 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -74.3 | -44.5 | -177.9 | -67.2 | -29.6 | 0 | 0 | 0 | 111.6 | D25 F29 I30 N31 | D25-N27 PolarHBondContact O-N 2.85Å; D25-N27 WeakPolarHBondContact OD1-CB 3.14Å; D25-N27 PolarHBondContact OD1-N 3.35Å; N27-F29 VanDerWaalsContact C-N 3.31Å; N27-F29 PolarHBondContact O-N 3.33Å; N27-I30 PolarHBondContact O-N 3.43Å; N27-N31 WeakPolarHBondContact O-CB 3.39Å; N27-N31 VanDerWaalsContact O-CG 3.26Å; N27-N31 PolarHBondContact O-N 3.45Å; N27-N31 PolarHBondContact O-ND2 3.48Å |
| 28 | T | 68.3 | Low | 65.7 | Low | 55 Ų | 55 | 66 Ų | 66 | 34% | 0.337 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.4 | -33.1 | 170.7 | 46.3 | 0 | 0 | 0 | 0 | 112.1 | A20 D25 N31 V32 | A20-T28 WeakPolarHBondContact CB-OG1 3.42Å; D25-T28 WeakPolarHBondContact CB-OG1 3.35Å; D25-T28 PolarHBondContact O-N 2.94Å; D25-T28 PolarHBondContact O-OG1 3.14Å; D25-T28 PolarHBondContact OD1-N 3.42Å; D25-T28 VanDerWaalsContact OD2-CB 3.29Å; D25-T28 WeakPolarHBondContact OD2-CB 3.37Å; D25-T28 WeakPolarHBondContact OD2-CG2 3.11Å; D25-T28 PolarHBondContact OD2-N 3.05Å; D25-T28 PolarHBondContact OD2-OG1 3.14Å; T28-N31 PolarHBondContact O-N 3.25Å; T28-V32 WeakPolarHBondContact O-CB 3.19Å; T28-V32 WeakPolarHBondContact O-CG2 3.34Å; T28-V32 PolarHBondContact O-N 3.39Å |
| 29 | F | 68.6 | Low | 65.1 | Low | 42 Ų | 42 | 67.1 Ų | 67.1 | 18% | 0.184 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 173.6 | -178.5 | -92.6 | 0 | 0 | 0 | 111.8 | I17 A20 I21 D25 L26 N27 T33 F68 | I17-F29 HydrophobicContact CG2-CD2 4.09Å; I17-F29 HydrophobicContact CG2-CE2 3.81Å; A20-F29 HydrophobicContact CB-CB 3.85Å; I21-F29 HydrophobicContact CD1-CD2 4.37Å; I21-F29 HydrophobicContact CD1-CE2 4.09Å; I21-F29 HydrophobicContact CG1-CD2 3.98Å; I21-F29 HydrophobicContact CG1-CE2 4.16Å; D25-F29 PolarHBondContact O-N 3.24Å; D25-F29 VanDerWaalsContact O-N 3.08Å; L26-F29 PolarHBondContact O-N 3.09Å; N27-F29 VanDerWaalsContact C-N 3.31Å; N27-F29 PolarHBondContact O-N 3.33Å; F29-T33 HydrophobicContact CD1-CG2 4.38Å; F29-T33 HydrophobicContact CE1-CG2 4.05Å; F29-T33 HydrophobicContact CE2-CG2 4.23Å; F29-T33 HydrophobicContact CZ-CG2 3.97Å; F29-T33 WeakPolarHBondContact O-CB 3.3Å; F29-T33 VanDerWaalsContact O-CG2 3.27Å; F29-T33 WeakPolarHBondContact O-CG2 3.15Å; F29-T33 PolarHBondContact O-N 3.37Å; F29-T33 PolarHBondContact O-OG1 3.37Å; F29-F68 HydrophobicContact CB-CE2 4.47Å; F29-F68 HydrophobicContact CD1-CE2 4.37Å; F29-F68 HydrophobicContact CD2-CE2 4.02Å; F29-F68 HydrophobicContact CD2-CZ 4.31Å; F29-F68 HydrophobicContact CE2-CE2 4.35Å; F29-F68 HydrophobicContact CE2-CZ 4.22Å; F29-F68 HydrophobicContact CG-CE2 4.03Å |
| 30 | I | 67.7 | Low | 63.9 | Low | 28 Ų | 28 | 69.5 Ų | 69.5 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 177 | -69.1 | 166.3 | 0 | 0 | 0 | 111.2 | L26 N27 T33 R34 | L26-I30 HydrophobicContact CD1-CD1 4.45Å; L26-I30 HydrophobicContact CG-CD1 3.99Å; L26-I30 VanDerWaalsContact O-CG1 3.28Å; L26-I30 WeakPolarHBondContact O-CG1 3.15Å; L26-I30 PolarHBondContact O-N 3.49Å; N27-I30 PolarHBondContact O-N 3.43Å; I30-T33 WeakPolarHBondContact CA-OG1 3.16Å; I30-T33 PolarHBondContact O-OG1 3.27Å; I30-R34 WeakPolarHBondContact O-CB 3.47Å; I30-R34 WeakPolarHBondContact O-CG 3.26Å; I30-R34 PolarHBondContact O-N 2.77Å |
| 31 | N | 68.1 | Low | 62.7 | Low | 91 Ų | 91 | 75 Ų | 75 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.8 | -38.3 | -178.8 | -72.9 | -25.3 | 0 | 0 | 0 | 113.5 | N27 T28 S35 | N27-N31 WeakPolarHBondContact O-CB 3.39Å; N27-N31 VanDerWaalsContact O-CG 3.26Å; N27-N31 PolarHBondContact O-N 3.45Å; N27-N31 PolarHBondContact O-ND2 3.48Å; T28-N31 PolarHBondContact O-N 3.25Å; N31-S35 PolarHBondContact O-N 2.81Å |
| 32 | V | 67.7 | Low | 61.6 | Low | 15 Ų | 15 | 75 Ų | 75 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -76 | -34.4 | 178.9 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | H13 Q16 I17 T28 S35 A36 | H13-V32 HydrophobicContact CB-CG1 4.49Å; Q16-V32 HydrophobicContact CB-CB 4.34Å; Q16-V32 HydrophobicContact CB-CG1 3.61Å; Q16-V32 HydrophobicContact CB-CG2 3.76Å; I17-V32 HydrophobicContact CD1-CG1 4.34Å; I17-V32 HydrophobicContact CG1-CB 4.3Å; I17-V32 HydrophobicContact CG1-CG1 3.56Å; T28-V32 WeakPolarHBondContact O-CB 3.19Å; T28-V32 WeakPolarHBondContact O-CG2 3.34Å; T28-V32 PolarHBondContact O-N 3.39Å; V32-S35 PolarHBondContact O-N 2.85Å; V32-S35 PolarHBondContact O-OG 2.67Å; V32-S35 VanDerWaalsContact O-OG 3.12Å; V32-A36 VanDerWaalsContact O-CB 3.27Å; V32-A36 WeakPolarHBondContact O-CB 3.15Å; V32-A36 PolarHBondContact O-N 3.42Å; V32-A36 VanDerWaalsContact O-N 3.1Å |
| 33 | T | 65.6 | Low | 60.5 | Low | 9 Ų | 9 | 77.3 Ų | 77.3 | 6% | 0.055 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.6 | -34.5 | 175.1 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | I17 F29 I30 F39 | I17-T33 HydrophobicContact CD1-CG2 4.17Å; I17-T33 HydrophobicContact CG1-CG2 4.43Å; F29-T33 HydrophobicContact CD1-CG2 4.38Å; F29-T33 HydrophobicContact CE1-CG2 4.05Å; F29-T33 HydrophobicContact CE2-CG2 4.23Å; F29-T33 HydrophobicContact CZ-CG2 3.97Å; F29-T33 WeakPolarHBondContact O-CB 3.3Å; F29-T33 VanDerWaalsContact O-CG2 3.27Å; F29-T33 WeakPolarHBondContact O-CG2 3.15Å; F29-T33 PolarHBondContact O-N 3.37Å; F29-T33 PolarHBondContact O-OG1 3.37Å; I30-T33 WeakPolarHBondContact CA-OG1 3.16Å; I30-T33 PolarHBondContact O-OG1 3.27Å; T33-F39 HydrophobicContact CG2-CD2 4.15Å; T33-F39 HydrophobicContact CG2-CE2 3.87Å |
| 34 | R | 65.4 | Low | 59.3 | Low | 95 Ų | 95 | 74.4 Ų | 74.4 | 36% | 0.358 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.4 | -53.6 | 166.7 | -79.7 | 171.3 | 161.5 | -179.7 | -12.8 | 112 | I30 A36 N37 F44 T46 | I30-R34 WeakPolarHBondContact O-CB 3.47Å; I30-R34 WeakPolarHBondContact O-CG 3.26Å; I30-R34 PolarHBondContact O-N 2.77Å; R34-A36 PolarHBondContact O-N 3.02Å; R34-N37 PolarHBondContact O-N 2.97Å; R34-F44 PolarHBondContact NH2-O 3.19Å; R34-T46 VanDerWaalsContact NH2-CG2 3.26Å; R34-T46 PolarHBondContact NH2-OG1 3.08Å |
| 35 | S | 65.2 | Low | 58 | Low | 73 Ų | 73 | 79.5 Ų | 79.5 | 51% | 0.51 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.6 | -26.9 | -175.6 | 69.4 | 0 | 0 | 0 | 0 | 114.1 | N31 V32 | N31-S35 PolarHBondContact O-N 2.81Å; V32-S35 PolarHBondContact O-N 2.85Å; V32-S35 PolarHBondContact O-OG 2.67Å; V32-S35 VanDerWaalsContact O-OG 3.12Å |
| 36 | A | 60.3 | Low | 56.4 | Low | 22 Ų | 22 | 81.7 Ų | 81.7 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -2.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | H13 V32 R34 I38 | H13-A36 HydrophobicContact CB-CB 3.82Å; V32-A36 VanDerWaalsContact O-CB 3.27Å; V32-A36 WeakPolarHBondContact O-CB 3.15Å; V32-A36 PolarHBondContact O-N 3.42Å; V32-A36 VanDerWaalsContact O-N 3.1Å; R34-A36 PolarHBondContact O-N 3.02Å; A36-I38 HydrophobicContact CB-CD1 3.46Å; A36-I38 VanDerWaalsContact CB-CD1 3.46Å; A36-I38 HydrophobicContact CB-CG1 3.64Å; A36-I38 PolarHBondContact O-N 3.31Å; A36-I38 VanDerWaalsContact O-N 3.14Å |
| 37 | N | 56.7 | Low | 54.9 | Low | 137 Ų | 137 | 84.6 Ų | 84.6 | 73% | 0.733 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 30.8 | -173.3 | -90.1 | -10.8 | 0 | 0 | 0 | 113.9 | R34 F39 | R34-N37 PolarHBondContact O-N 2.97Å; N37-F39 VanDerWaalsContact C-N 3.26Å; N37-F39 PolarHBondContact O-N 2.92Å |
| 38 | I | 54.1 | Low | 53.4 | Low | 89 Ų | 89 | 88.6 Ų | 88.6 | 46% | 0.456 | 47% | 0.47 | S | S | . | . | trans | -74.4 | -19.4 | -175.3 | -72.7 | 169.8 | 0 | 0 | 0 | 112.2 | I17 A36 | I17-I38 HydrophobicContact CD1-CD1 3.61Å; A36-I38 HydrophobicContact CB-CD1 3.46Å; A36-I38 VanDerWaalsContact CB-CD1 3.46Å; A36-I38 HydrophobicContact CB-CG1 3.64Å; A36-I38 PolarHBondContact O-N 3.31Å; A36-I38 VanDerWaalsContact O-N 3.14Å | ||
| 39 | F | 52.6 | Low | 52.2 | Low | 98 Ų | 98 | 93.1 Ų | 93.1 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | trans | -128.4 | 93.8 | -176.4 | -73.2 | -63.9 | 0 | 0 | 0 | 111.5 | T33 N37 T41 F42 | T33-F39 HydrophobicContact CG2-CD2 4.15Å; T33-F39 HydrophobicContact CG2-CE2 3.87Å; N37-F39 VanDerWaalsContact C-N 3.26Å; N37-F39 PolarHBondContact O-N 2.92Å; F39-T41 PolarHBondContact O-N 2.73Å; F39-F42 HydrophobicContact CB-CB 4.5Å; F39-F42 HydrophobicContact CB-CD2 3.65Å; F39-F42 HydrophobicContact CB-CE2 4.21Å; F39-F42 HydrophobicContact CB-CG 4.35Å; F39-F42 AromaticContact CD1-CD2 3.83Å; F39-F42 HydrophobicContact CD1-CD2 3.83Å; F39-F42 AromaticContact CD1-CE2 3.47Å; F39-F42 HydrophobicContact CD1-CE2 3.47Å; F39-F42 VanDerWaalsContact CD1-CE2 3.47Å; F39-F42 HydrophobicContact CD1-CZ 4.44Å; F39-F42 AromaticContact CE1-CE2 3.99Å; F39-F42 HydrophobicContact CE1-CE2 3.99Å; F39-F42 AromaticContact CG-CD2 3.89Å; F39-F42 HydrophobicContact CG-CD2 3.89Å; F39-F42 AromaticContact CG-CE2 3.93Å; F39-F42 HydrophobicContact CG-CE2 3.93Å | ||
| 40 | T | 45.6 | Very low | 50.7 | Low | 129 Ų | 129 | 95.4 Ų | 95.4 | 79% | 0.791 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 17.2 | 179.1 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 41 | T | 43.5 | Very low | 49.3 | Very low | 116 Ų | 116 | 97 Ų | 97 | 71% | 0.712 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.8 | 25 | -172.9 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | F39 | F39-T41 PolarHBondContact O-N 2.73Š|
| 42 | F | 43.1 | Very low | 48 | Very low | 64 Ų | 64 | 97.4 Ų | 97.4 | 28% | 0.281 | 52% | 0.524 | S | S | . | . | trans | -124.6 | 97.2 | -178.2 | -83.5 | -99.4 | 0 | 0 | 0 | 109.9 | F39 F44 Y75 | F39-F42 HydrophobicContact CB-CB 4.5Å; F39-F42 HydrophobicContact CB-CD2 3.65Å; F39-F42 HydrophobicContact CB-CE2 4.21Å; F39-F42 HydrophobicContact CB-CG 4.35Å; F39-F42 AromaticContact CD1-CD2 3.83Å; F39-F42 HydrophobicContact CD1-CD2 3.83Å; F39-F42 AromaticContact CD1-CE2 3.47Å; F39-F42 HydrophobicContact CD1-CE2 3.47Å; F39-F42 VanDerWaalsContact CD1-CE2 3.47Å; F39-F42 HydrophobicContact CD1-CZ 4.44Å; F39-F42 AromaticContact CE1-CE2 3.99Å; F39-F42 HydrophobicContact CE1-CE2 3.99Å; F39-F42 AromaticContact CG-CD2 3.89Å; F39-F42 HydrophobicContact CG-CD2 3.89Å; F39-F42 AromaticContact CG-CE2 3.93Å; F39-F42 HydrophobicContact CG-CE2 3.93Å; F42-F44 HydrophobicContact CB-CD2 3.7Å; F42-F44 HydrophobicContact CB-CE2 3.64Å; F42-F44 HydrophobicContact CB-CZ 4.43Å; F42-F44 HydrophobicContact CD1-CD2 4.2Å; F42-F44 HydrophobicContact CD1-CE1 4.19Å; F42-F44 AromaticContact CD1-CE2 3.38Å; F42-F44 HydrophobicContact CD1-CE2 3.38Å; F42-F44 AromaticContact CD1-CZ 3.38Å; F42-F44 HydrophobicContact CD1-CZ 3.38Å; F42-F44 HydrophobicContact CE1-CE2 4.24Å; F42-F44 AromaticContact CE1-CZ 3.94Å; F42-F44 HydrophobicContact CE1-CZ 3.94Å; F42-F44 HydrophobicContact CG-CD2 4.35Å; F42-F44 AromaticContact CG-CE2 3.78Å; F42-F44 HydrophobicContact CG-CE2 3.78Å; F42-F44 HydrophobicContact CG-CZ 4.25Å; F42-F44 PolarHBondContact O-N 2.92Å; F42-Y75 WeakPolarHBondContact CE1-OH 3.43Å | ||
| 43 | D | 39 | Very low | 46.8 | Very low | 164 Ų | 164 | 98.8 Ų | 98.8 | 88% | 0.877 | 53% | 0.531 | S | S | * | . | trans | -72.7 | 75.9 | 167.8 | -68.5 | -33.6 | 0 | 0 | 0 | 109.7 | E45 | D43-E45 VanDerWaalsContact C-N 3.27Å; D43-E45 PolarHBondContact O-N 2.92Å | ||
| 44 | F | 42.9 | Very low | 45.6 | Very low | 58 Ų | 58 | 105.8 Ų | 105.8 | 25% | 0.254 | 56% | 0.563 | S | S | . | * | trans | -82.7 | 72.2 | 165.2 | -69 | -64 | 0 | 0 | 0 | 109.4 | R34 F42 T46 L51 | R34-F44 PolarHBondContact NH2-O 3.19Å; F42-F44 HydrophobicContact CB-CD2 3.7Å; F42-F44 HydrophobicContact CB-CE2 3.64Å; F42-F44 HydrophobicContact CB-CZ 4.43Å; F42-F44 HydrophobicContact CD1-CD2 4.2Å; F42-F44 HydrophobicContact CD1-CE1 4.19Å; F42-F44 AromaticContact CD1-CE2 3.38Å; F42-F44 HydrophobicContact CD1-CE2 3.38Å; F42-F44 AromaticContact CD1-CZ 3.38Å; F42-F44 HydrophobicContact CD1-CZ 3.38Å; F42-F44 HydrophobicContact CE1-CE2 4.24Å; F42-F44 AromaticContact CE1-CZ 3.94Å; F42-F44 HydrophobicContact CE1-CZ 3.94Å; F42-F44 HydrophobicContact CG-CD2 4.35Å; F42-F44 AromaticContact CG-CE2 3.78Å; F42-F44 HydrophobicContact CG-CE2 3.78Å; F42-F44 HydrophobicContact CG-CZ 4.25Å; F42-F44 PolarHBondContact O-N 2.92Å; F44-T46 PolarHBondContact O-N 2.95Å; F44-T46 VanDerWaalsContact O-N 3.16Å; F44-L51 HydrophobicContact CD1-CD1 4.08Å; F44-L51 HydrophobicContact CD1-CG 4.22Å; F44-L51 HydrophobicContact CE1-CD1 3.82Å; F44-L51 HydrophobicContact CE1-CD2 4.25Å; F44-L51 HydrophobicContact CE1-CG 4.11Å | ||
| 45 | E | 37.5 | Very low | 44.6 | Very low | 172 Ų | 172 | 104.2 Ų | 104.2 | 80% | 0.804 | 56% | 0.564 | S | S | * | * | trans | -65.6 | 108.5 | 168.6 | -75.6 | -164.7 | 145.6 | 0 | 0 | 110 | D43 | D43-E45 VanDerWaalsContact C-N 3.27Å; D43-E45 PolarHBondContact O-N 2.92Å | ||
| 46 | T | 36.3 | Very low | 43.8 | Very low | 101 Ų | 101 | 105.3 Ų | 105.3 | 62% | 0.62 | 59% | 0.587 | S | S | * | * | trans | -92.6 | 100.1 | 173.5 | 34.7 | 0 | 0 | 0 | 0 | 111.2 | R34 F44 | R34-T46 VanDerWaalsContact NH2-CG2 3.26Å; R34-T46 PolarHBondContact NH2-OG1 3.08Å; F44-T46 PolarHBondContact O-N 2.95Å; F44-T46 VanDerWaalsContact O-N 3.16Å | ||
| 47 | T | 35.5 | Very low | 43.4 | Very low | 107 Ų | 107 | 107.9 Ų | 107.9 | 66% | 0.656 | 61% | 0.608 | S | S | * | * | S | Bend | -82.6 | 154.9 | 121 | 53.9 | 0 | 0 | 0 | 0 | 107.9 | D49 | T47-D49 VanDerWaalsContact C-N 3.26Å; T47-D49 PolarHBondContact O-N 3.34Å | |
| 48 | E | 37.7 | Very low | 43.2 | Very low | 195 Ų | 195 | 102.9 Ų | 102.9 | 91% | 0.911 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 0.9 | -151.8 | -67.3 | 178.3 | 122.5 | 0 | 0 | 118.1 | ||
| 49 | D | 42.4 | Very low | 43 | Very low | 150 Ų | 150 | 106.3 Ų | 106.3 | 80% | 0.802 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.7 | 1.1 | -169 | -85 | -52.8 | 0 | 0 | 0 | 118.6 | T47 | T47-D49 VanDerWaalsContact C-N 3.26Å; T47-D49 PolarHBondContact O-N 3.34Å |
| 50 | T | 38.6 | Very low | 43 | Very low | 90 Ų | 90 | 102.3 Ų | 102.3 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | trans | -129.4 | 134.5 | -168.5 | 51.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 51 | L | 37.7 | Very low | 43.3 | Very low | 61 Ų | 61 | 99.9 Ų | 99.9 | 32% | 0.319 | 56% | 0.562 | S | S | . | * | trans | -139.7 | 111.9 | -178.9 | -156.7 | 156.9 | 0 | 0 | 0 | 109.9 | F44 L53 | F44-L51 HydrophobicContact CD1-CD1 4.08Å; F44-L51 HydrophobicContact CD1-CG 4.22Å; F44-L51 HydrophobicContact CE1-CD1 3.82Å; F44-L51 HydrophobicContact CE1-CD2 4.25Å; F44-L51 HydrophobicContact CE1-CG 4.11Å; L51-L53 HydrophobicContact CD2-CD1 3.78Å; L51-L53 HydrophobicContact CD2-CG 3.85Å | ||
| 52 | V | 40 | Very low | 43.6 | Very low | 101 Ų | 101 | 97.2 Ų | 97.2 | 61% | 0.612 | 55% | 0.546 | S | S | * | . | trans | -114.7 | 120.2 | -174.2 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 53 | L | 42.4 | Very low | 44.3 | Very low | 43 Ų | 43 | 95.7 Ų | 95.7 | 23% | 0.225 | 54% | 0.539 | C | S | . | . | trans | -121.6 | 124.5 | 178.8 | -74.3 | 167.6 | 0 | 0 | 0 | 110.4 | L51 M63 W74 | L51-L53 HydrophobicContact CD2-CD1 3.78Å; L51-L53 HydrophobicContact CD2-CG 3.85Å; L53-M63 HydrophobicContact CD1-SD 4Å; L53-W74 HydrophobicContact CB-CZ2 4.45Å | ||
| 54 | Q | 40.9 | Very low | 45.1 | Very low | 156 Ų | 156 | 89.9 Ų | 89.9 | 73% | 0.729 | 51% | 0.512 | S | S | * | . | trans | -105.6 | 117.6 | 176.8 | -69.4 | -173.5 | 2.2 | 0 | 0 | 111.3 | ||||
| 55 | T | 45.4 | Very low | 46.2 | Very low | 63 Ų | 63 | 90.1 Ų | 90.1 | 39% | 0.387 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -138.7 | 113.8 | 163.1 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | A57 W74 | T55-A57 VanDerWaalsContact C-N 3.33Å; T55-A57 PolarHBondContact O-N 3.12Å; T55-W74 HydrophobicContact CG2-CZ2 4.26Å; T55-W74 WeakPolarHBondContact OG1-CH2 3.46Å; T55-W74 WeakPolarHBondContact OG1-CZ2 3.41Å |
| 56 | G | 47.7 | Very low | 47.7 | Very low | 96 Ų | 96 | 82.9 Ų | 82.9 | 99% | 0.99 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | -59.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 57 | A | 51.6 | Low | 49.5 | Very low | 76 Ų | 76 | 78.4 Ų | 78.4 | 63% | 0.628 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.9 | -30.5 | -169 | 0 | 0 | 0 | 0 | 0 | 114.5 | T55 V142 | T55-A57 VanDerWaalsContact C-N 3.33Å; T55-A57 PolarHBondContact O-N 3.12Å; A57-V142 HydrophobicContact CB-CG1 4.2Å |
| 58 | V | 52.8 | Low | 51.5 | Low | 32 Ų | 32 | 73.9 Ų | 73.9 | 19% | 0.194 | 44% | 0.438 | C | S | . | . | B | Isolated β-bridge | trans | -107.6 | 109.8 | -176.3 | -171 | 0 | 0 | 0 | 0 | 109.2 | I60 | V58-I60 HydrophobicContact CG1-CD1 4.3Å; V58-I60 HydrophobicContact CG1-CG1 3.67Å; V58-I60 PolarHBondContact O-N 2.77Å |
| 59 | K | 48.9 | Very low | 53.6 | Low | 160 Ų | 160 | 64.7 Ų | 64.7 | 70% | 0.696 | 40% | 0.395 | S | S | * | . | trans | -88.8 | 76.9 | 177.1 | -161.7 | 179.9 | -171.3 | -177.5 | 0 | 109.2 | T61 | K59-T61 PolarHBondContact O-N 2.9Š| ||
| 60 | I | 54.1 | Low | 55.5 | Low | 15 Ų | 15 | 57.5 Ų | 57.5 | 8% | 0.077 | 36% | 0.357 | C | S | . | . | trans | -69.6 | 112.8 | 173.2 | -57.5 | -168.5 | 0 | 0 | 0 | 107.5 | V58 M63 W74 | V58-I60 HydrophobicContact CG1-CD1 4.3Å; V58-I60 HydrophobicContact CG1-CG1 3.67Å; V58-I60 PolarHBondContact O-N 2.77Å; I60-M63 HydrophobicContact CG2-CG 3.89Å; I60-W74 HydrophobicContact CD1-CE3 3.98Å; I60-W74 HydrophobicContact CD1-CH2 4.14Å; I60-W74 HydrophobicContact CD1-CZ3 3.4Å; I60-W74 HydrophobicContact CG1-CH2 4.32Å; I60-W74 HydrophobicContact CG1-CZ3 4.02Å | ||
| 61 | T | 51.7 | Low | 57.3 | Low | 78 Ų | 78 | 54.6 Ų | 54.6 | 48% | 0.479 | 34% | 0.338 | S | S | . | . | trans | -86.7 | -29.2 | -167.6 | 28.1 | 0 | 0 | 0 | 0 | 113.5 | K59 E99 | K59-T61 PolarHBondContact O-N 2.9Å; T61-E99 PolarHBondContact N-OE1 3.08Å; T61-E99 PolarHBondContact OG1-OE1 3.2Å | ||
| 62 | V | 50.6 | Low | 59.3 | Low | 60 Ų | 60 | 51.8 Ų | 51.8 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | trans | -144.2 | 111.8 | 179.4 | -163 | 0 | 0 | 0 | 0 | 111.3 | S64 E99 | V62-S64 VanDerWaalsContact C-N 3.29Å; V62-S64 WeakPolarHBondContact CG1-OG 3.13Å; V62-S64 PolarHBondContact O-N 3.04Å; V62-E99 PolarHBondContact N-OE1 3.4Å | ||
| 63 | M | 57 | Low | 61.4 | Low | 31 Ų | 31 | 47 Ų | 47 | 15% | 0.153 | 30% | 0.295 | C | S | . | . | trans | -88.5 | 31.1 | 175.5 | -75.4 | -162.6 | 71.2 | 0 | 0 | 114.5 | L53 I60 A66 V71 | L53-M63 HydrophobicContact CD1-SD 4Å; I60-M63 HydrophobicContact CG2-CG 3.89Å; M63-A66 HydrophobicContact CE-CB 3.82Å; M63-A66 WeakPolarHBondContact O-CB 3.47Å; M63-V71 HydrophobicContact CE-CG2 4.48Å | ||
| 64 | S | 55.5 | Low | 63.2 | Low | 42 Ų | 42 | 45.5 Ų | 45.5 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 145.2 | 173.1 | 49.6 | 0 | 0 | 0 | 0 | 111.4 | V62 A66 I98 | V62-S64 VanDerWaalsContact C-N 3.29Å; V62-S64 WeakPolarHBondContact CG1-OG 3.13Å; V62-S64 PolarHBondContact O-N 3.04Å; S64-A66 PolarHBondContact O-N 3.44Å; S64-I98 VanDerWaalsContact OG-CD1 3.23Å; S64-I98 WeakPolarHBondContact OG-CD1 2.84Å |
| 65 | A | 67.1 | Low | 64.9 | Low | 64 Ų | 64 | 42.1 Ų | 42.1 | 53% | 0.529 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 13.8 | -173 | 0 | 0 | 0 | 0 | 0 | 117 | I98 | A65-I98 HydrophobicContact CB-CG1 4.25Š|
| 66 | A | 68.1 | Low | 66.4 | Low | 19 Ų | 19 | 39.1 Ų | 39.1 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | trans | -64.8 | 145.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M63 S64 H70 | M63-A66 HydrophobicContact CE-CB 3.82Å; M63-A66 WeakPolarHBondContact O-CB 3.47Å; S64-A66 PolarHBondContact O-N 3.44Å; A66-H70 HydrophobicContact CB-CB 4.39Å | ||
| 67 | T | 75.2 | Confident | 67.9 | Low | 8 Ų | 8 | 35.5 Ų | 35.5 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | trans | -104.2 | 167 | 174 | 64.2 | 0 | 0 | 0 | 0 | 112 | L69 H70 V71 L92 K95 | T67-L69 PolarHBondContact O-N 3.33Å; T67-L69 VanDerWaalsContact O-N 3.11Å; T67-H70 PolarHBondContact N-ND1 3.12Å; T67-H70 WeakPolarHBondContact O-CB 3.49Å; T67-H70 PolarHBondContact O-N 3.02Å; T67-H70 PolarHBondContact OG1-ND1 3.09Å; T67-V71 PolarHBondContact O-N 3.44Å; T67-L92 HydrophobicContact CG2-CD2 3.75Å; T67-L92 WeakPolarHBondContact OG1-CD2 3.33Å; T67-K95 HydrophobicContact CG2-CD 3.81Å; T67-K95 HydrophobicContact CG2-CG 4.44Å | ||
| 68 | F | 75.6 | Confident | 69.3 | Low | 12 Ų | 12 | 32.7 Ų | 32.7 | 5% | 0.053 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.6 | -25.2 | 176.3 | -148.8 | -78.9 | 0 | 0 | 0 | 112.6 | I21 D24 L26 F29 V71 A72 I80 I84 | I21-F68 HydrophobicContact CD1-CZ 4.39Å; I21-F68 HydrophobicContact CG1-CE2 4.1Å; I21-F68 HydrophobicContact CG1-CZ 3.74Å; D24-F68 WeakPolarHBondContact OD1-CB 3.48Å; L26-F68 HydrophobicContact CD1-CD2 4.29Å; F29-F68 HydrophobicContact CB-CE2 4.47Å; F29-F68 HydrophobicContact CD1-CE2 4.37Å; F29-F68 HydrophobicContact CD2-CE2 4.02Å; F29-F68 HydrophobicContact CD2-CZ 4.31Å; F29-F68 HydrophobicContact CE2-CE2 4.35Å; F29-F68 HydrophobicContact CE2-CZ 4.22Å; F29-F68 HydrophobicContact CG-CE2 4.03Å; F68-V71 PolarHBondContact O-N 2.99Å; F68-A72 VanDerWaalsContact O-CB 3.24Å; F68-A72 WeakPolarHBondContact O-CB 3.41Å; F68-A72 PolarHBondContact O-N 2.89Å; F68-I80 HydrophobicContact CD1-CG2 3.97Å; F68-I80 HydrophobicContact CE1-CD1 4.42Å; F68-I80 HydrophobicContact CE1-CG2 3.76Å; F68-I84 HydrophobicContact CB-CD1 4.39Å; F68-I84 HydrophobicContact CD1-CD1 3.96Å |
| 69 | L | 82.1 | Confident | 70.4 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.3 | -36.6 | 172.8 | -171.3 | 58.6 | 0 | 0 | 0 | 113.1 | T67 A72 A73 I81 I84 L92 P103 | T67-L69 PolarHBondContact O-N 3.33Å; T67-L69 VanDerWaalsContact O-N 3.11Å; L69-A72 PolarHBondContact O-N 2.8Å; L69-A73 WeakPolarHBondContact O-CB 3.31Å; L69-A73 PolarHBondContact O-N 3.2Å; L69-I81 HydrophobicContact CD1-CG1 4.35Å; L69-I81 HydrophobicContact CD1-CG2 4.25Å; L69-I84 HydrophobicContact CB-CD1 4.39Å; L69-I84 HydrophobicContact CB-CG2 4.25Å; L69-I84 HydrophobicContact CD1-CB 4.31Å; L69-I84 HydrophobicContact CD1-CD1 4.3Å; L69-I84 HydrophobicContact CD1-CG2 4.07Å; L69-I84 HydrophobicContact CD2-CG2 4.43Å; L69-I84 HydrophobicContact CG-CG2 4.48Å; L69-L92 HydrophobicContact CB-CD2 4.17Å; L69-L92 HydrophobicContact CD2-CB 4.09Å; L69-P103 HydrophobicContact CB-CG 4.43Å; L69-P103 HydrophobicContact CD2-CB 4.29Å; L69-P103 HydrophobicContact CD2-CG 3.93Å; L69-P103 HydrophobicContact CG-CB 4.03Å; L69-P103 HydrophobicContact CG-CG 3.92Å |
| 70 | H | 82 | Confident | 71.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 173 | -69.1 | 82.2 | 0 | 0 | 0 | 110.9 | A66 T67 A73 W74 K95 F101 P103 I106 | A66-H70 HydrophobicContact CB-CB 4.39Å; T67-H70 PolarHBondContact N-ND1 3.12Å; T67-H70 WeakPolarHBondContact O-CB 3.49Å; T67-H70 PolarHBondContact O-N 3.02Å; T67-H70 PolarHBondContact OG1-ND1 3.09Å; H70-A73 PolarHBondContact O-N 2.9Å; H70-W74 WeakPolarHBondContact O-CB 3.46Å; H70-W74 PolarHBondContact O-N 2.96Å; H70-K95 PolarHBondContact CE1-O 3.08Å; H70-K95 PolarHBondContact NE2-O 3.47Å; H70-K95 VanDerWaalsContact NE2-O 3.16Å; H70-F101 PolarHBondContact NE2-O 3.19Å; H70-P103 WeakPolarHBondContact NE2-CD 3.37Å; H70-I106 HydrophobicContact CB-CD1 3.94Å |
| 71 | V | 76.7 | Confident | 72.9 | Confident | 28 Ų | 28 | 32.2 Ų | 32.2 | 17% | 0.17 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 176 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | L26 M63 T67 F68 A73 W74 Y75 | L26-V71 HydrophobicContact CD1-CG2 4.42Å; M63-V71 HydrophobicContact CE-CG2 4.48Å; T67-V71 PolarHBondContact O-N 3.44Å; F68-V71 PolarHBondContact O-N 2.99Å; V71-A73 PolarHBondContact O-N 3.29Å; V71-W74 PolarHBondContact O-N 3.17Å; V71-Y75 HydrophobicContact CG1-CD2 3.7Å; V71-Y75 HydrophobicContact CG1-CE2 3.79Å; V71-Y75 VanDerWaalsContact O-CD2 3.3Å; V71-Y75 WeakPolarHBondContact O-CD2 3.48Å; V71-Y75 PolarHBondContact O-N 3.31Å |
| 72 | A | 80.6 | Confident | 74.2 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.2 | -36.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F68 L69 S76 A77 I80 I81 I84 | F68-A72 VanDerWaalsContact O-CB 3.24Å; F68-A72 WeakPolarHBondContact O-CB 3.41Å; F68-A72 PolarHBondContact O-N 2.89Å; L69-A72 PolarHBondContact O-N 2.8Å; A72-S76 PolarHBondContact O-N 2.04Å; A72-A77 HydrophobicContact CB-CB 4.28Å; A72-A77 PolarHBondContact O-N 3.04Å; A72-I80 HydrophobicContact CB-CB 4.27Å; A72-I80 HydrophobicContact CB-CG2 3.74Å; A72-I81 HydrophobicContact CB-CG1 3.81Å; A72-I84 HydrophobicContact CB-CD1 4.35Å |
| 73 | A | 84 | Confident | 75.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.6 | -40.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L69 H70 V71 S76 P103 I106 | L69-A73 WeakPolarHBondContact O-CB 3.31Å; L69-A73 PolarHBondContact O-N 3.2Å; H70-A73 PolarHBondContact O-N 2.9Å; V71-A73 PolarHBondContact O-N 3.29Å; A73-S76 PolarHBondContact O-N 3.49Å; A73-P103 HydrophobicContact CB-CB 4.37Å; A73-I106 HydrophobicContact CB-CB 4.35Å; A73-I106 HydrophobicContact CB-CG2 3.98Å |
| 74 | W | 79.6 | Confident | 76.2 | Confident | 12 Ų | 12 | 30.6 Ų | 30.6 | 5% | 0.045 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 177.2 | -175.7 | -93.5 | 0 | 0 | 0 | 112.8 | L53 T55 I60 H70 V71 S76 I106 V110 | L53-W74 HydrophobicContact CB-CZ2 4.45Å; T55-W74 HydrophobicContact CG2-CZ2 4.26Å; T55-W74 WeakPolarHBondContact OG1-CH2 3.46Å; T55-W74 WeakPolarHBondContact OG1-CZ2 3.41Å; I60-W74 HydrophobicContact CD1-CE3 3.98Å; I60-W74 HydrophobicContact CD1-CH2 4.14Å; I60-W74 HydrophobicContact CD1-CZ3 3.4Å; I60-W74 HydrophobicContact CG1-CH2 4.32Å; I60-W74 HydrophobicContact CG1-CZ3 4.02Å; H70-W74 WeakPolarHBondContact O-CB 3.46Å; H70-W74 PolarHBondContact O-N 2.96Å; V71-W74 PolarHBondContact O-N 3.17Å; W74-S76 VanDerWaalsContact C-N 3.32Å; W74-S76 PolarHBondContact O-N 3.21Å; W74-I106 HydrophobicContact CB-CG2 4.09Å; W74-I106 HydrophobicContact CE3-CG2 3.99Å; W74-V110 HydrophobicContact CE3-CG2 4.03Å; W74-V110 HydrophobicContact CZ3-CG2 4.46Å |
| 75 | Y | 75.8 | Confident | 77.2 | Confident | 84 Ų | 84 | 29.7 Ų | 29.7 | 33% | 0.329 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 10.4 | 179.9 | -72.2 | -69 | 0 | 0 | 0 | 114.5 | F42 V71 A77 | F42-Y75 WeakPolarHBondContact CE1-OH 3.43Å; V71-Y75 HydrophobicContact CG1-CD2 3.7Å; V71-Y75 HydrophobicContact CG1-CE2 3.79Å; V71-Y75 VanDerWaalsContact O-CD2 3.3Å; V71-Y75 WeakPolarHBondContact O-CD2 3.48Å; V71-Y75 PolarHBondContact O-N 3.31Å; Y75-A77 PolarHBondContact O-N 3.5Å; Y75-A77 VanDerWaalsContact O-N 3.17Å |
| 76 | S | 77.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 38.1 | -176.5 | -72.5 | 0 | 0 | 0 | 0 | 114 | A72 A73 W74 H78 D112 F254 S257 | A72-S76 PolarHBondContact O-N 2.04Å; A73-S76 PolarHBondContact O-N 3.49Å; W74-S76 VanDerWaalsContact C-N 3.32Å; W74-S76 PolarHBondContact O-N 3.21Å; S76-H78 VanDerWaalsContact C-N 3.3Å; S76-H78 PolarHBondContact O-CD2 3.39Å; S76-H78 PolarHBondContact O-N 3.25Å; S76-D112 VanDerWaalsContact CA-OD2 3.26Å; S76-D112 WeakPolarHBondContact CA-OD2 3.33Å; S76-D112 WeakPolarHBondContact CB-OD2 3.44Å; S76-D112 PolarHBondContact OG-OD2 3.14Å; S76-F254 WeakPolarHBondContact OG-CB 3.26Å; S76-S257 WeakPolarHBondContact O-CB 3.27Å; S76-S257 PolarHBondContact O-OG 3.21Å |
| 77 | A | 80.4 | Confident | 77.5 | Confident | 21 Ų | 21 | 38.8 Ų | 38.8 | 17% | 0.174 | 18% | 0.182 | C | C | . | . | trans | -86 | 66.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A72 Y75 E79 I80 I81 | A72-A77 HydrophobicContact CB-CB 4.28Å; A72-A77 PolarHBondContact O-N 3.04Å; Y75-A77 PolarHBondContact O-N 3.5Å; Y75-A77 VanDerWaalsContact O-N 3.17Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 3.24Å; A77-I80 HydrophobicContact CB-CB 3.97Å; A77-I80 HydrophobicContact CB-CD1 3.98Å; A77-I80 HydrophobicContact CB-CG1 4.14Å; A77-I80 CarbonylContact O-C 3.6Å; A77-I80 WeakPolarHBondContact O-CA 3.2Å; A77-I80 WeakPolarHBondContact O-CB 3.4Å; A77-I80 PolarHBondContact O-N 3.34Å; A77-I81 PolarHBondContact O-N 3.41Å | ||
| 78 | H | 79.7 | Confident | 76.9 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -48.7 | -43.4 | -173.7 | -64 | 165.5 | 0 | 0 | 0 | 115.7 | S76 I80 I81 D82 D112 R118 F254 | S76-H78 VanDerWaalsContact C-N 3.3Å; S76-H78 PolarHBondContact O-CD2 3.39Å; S76-H78 PolarHBondContact O-N 3.25Å; H78-I80 VanDerWaalsContact C-N 3.3Å; H78-I80 PolarHBondContact O-N 3.38Å; H78-I81 PolarHBondContact O-N 3.14Å; H78-D82 PolarHBondContact O-N 2.93Å; H78-D112 IonicContact CD2-OD1 3.68Å; H78-D112 IonicContact CD2-OD2 2.71Å; H78-D112 IonicContact CE1-OD1 3.73Å; H78-D112 VanDerWaalsContact NE2-CG 3.35Å; H78-D112 IonicContact NE2-OD1 2.68Å; H78-D112 PolarHBondContact NE2-OD1 3.26Å; H78-D112 IonicContact NE2-OD2 2.73Å; H78-D112 PolarHBondContact NE2-OD2 3.39Å; H78-R118 PolarHBondContact O-NH1 3.03Å; H78-F254 AromaticContact CE1-CD2 3.94Å; H78-F254 AromaticContact CE1-CE2 3.58Å; H78-F254 AromaticContact NE2-CD2 3.88Å; H78-F254 AromaticContact NE2-CE2 3.64Å |
| 79 | E | 75.9 | Confident | 76.2 | Confident | 134 Ų | 134 | 45.3 Ų | 45.3 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -67.4 | -32.9 | 178.8 | -62.8 | -168.9 | 151.2 | 0 | 0 | 111.7 | A77 D83 | A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 3.24Å; E79-D83 WeakPolarHBondContact O-CB 3.47Å; E79-D83 PolarHBondContact O-N 3.25Å |
| 80 | I | 76.7 | Confident | 75.4 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 32% | 0.323 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.5 | -42 | 174.9 | -60.8 | -175.8 | 0 | 0 | 0 | 110.2 | F68 A72 A77 H78 D83 I84 | F68-I80 HydrophobicContact CD1-CG2 3.97Å; F68-I80 HydrophobicContact CE1-CD1 4.42Å; F68-I80 HydrophobicContact CE1-CG2 3.76Å; A72-I80 HydrophobicContact CB-CB 4.27Å; A72-I80 HydrophobicContact CB-CG2 3.74Å; A77-I80 HydrophobicContact CB-CB 3.97Å; A77-I80 HydrophobicContact CB-CD1 3.98Å; A77-I80 HydrophobicContact CB-CG1 4.14Å; A77-I80 CarbonylContact O-C 3.6Å; A77-I80 WeakPolarHBondContact O-CA 3.2Å; A77-I80 WeakPolarHBondContact O-CB 3.4Å; A77-I80 PolarHBondContact O-N 3.34Å; H78-I80 VanDerWaalsContact C-N 3.3Å; H78-I80 PolarHBondContact O-N 3.38Å; I80-D83 PolarHBondContact O-N 3.45Å; I80-I84 HydrophobicContact CG2-CD1 3.72Å; I80-I84 HydrophobicContact CG2-CG1 4.34Å; I80-I84 WeakPolarHBondContact O-CB 3.28Å; I80-I84 VanDerWaalsContact O-CG1 3.27Å; I80-I84 WeakPolarHBondContact O-CG1 3.45Å; I80-I84 PolarHBondContact O-N 2.95Å |
| 81 | I | 79.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.8 | -50.2 | 173.7 | -64.6 | 171.6 | 0 | 0 | 0 | 109.6 | L69 A72 A77 H78 D83 I84 L85 A115 | L69-I81 HydrophobicContact CD1-CG1 4.35Å; L69-I81 HydrophobicContact CD1-CG2 4.25Å; A72-I81 HydrophobicContact CB-CG1 3.81Å; A77-I81 PolarHBondContact O-N 3.41Å; H78-I81 PolarHBondContact O-N 3.14Å; I81-D83 VanDerWaalsContact C-N 3.32Å; I81-D83 PolarHBondContact O-N 3.26Å; I81-I84 PolarHBondContact O-N 3.39Å; I81-L85 HydrophobicContact CG2-CD1 3.59Å; I81-L85 HydrophobicContact CG2-CG 4.13Å; I81-L85 WeakPolarHBondContact O-CB 3.4Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 3.19Å; I81-A115 HydrophobicContact CD1-CB 3.84Å |
| 82 | D | 78.1 | Confident | 74.6 | Confident | 48 Ų | 48 | 57 Ų | 57 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58 | -43 | 176.4 | -77.4 | -1.4 | 0 | 0 | 0 | 112.5 | H78 K86 R118 | H78-D82 PolarHBondContact O-N 2.93Å; D82-K86 WeakPolarHBondContact O-CB 3.04Å; D82-K86 WeakPolarHBondContact O-CD 3.22Å; D82-K86 WeakPolarHBondContact O-CE 3.25Å; D82-K86 WeakPolarHBondContact O-CG 3.5Å; D82-K86 PolarHBondContact O-N 3.11Å; D82-R118 IonicContact OD1-CZ 2.67Å; D82-R118 IonicContact OD1-NE 3.62Å; D82-R118 IonicContact OD1-NH1 2.78Å; D82-R118 PolarHBondContact OD1-NH1 3.28Å; D82-R118 IonicContact OD2-CZ 2.83Å; D82-R118 IonicContact OD2-NH1 3.24Å; D82-R118 PolarHBondContact OD2-NH1 3.22Å |
| 83 | D | 74.3 | Confident | 74.5 | Confident | 65 Ų | 65 | 57.1 Ų | 57.1 | 35% | 0.348 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.6 | -28.3 | -178.3 | -90.2 | 20.4 | 0 | 0 | 0 | 113.3 | E79 I80 I81 K86 R87 | E79-D83 WeakPolarHBondContact O-CB 3.47Å; E79-D83 PolarHBondContact O-N 3.25Å; I80-D83 PolarHBondContact O-N 3.45Å; I81-D83 VanDerWaalsContact C-N 3.32Å; I81-D83 PolarHBondContact O-N 3.26Å; D83-K86 IonicContact OD1-NZ 2.77Å; D83-K86 PolarHBondContact OD1-NZ 2.8Å; D83-R87 WeakPolarHBondContact O-CD 3.39Å; D83-R87 WeakPolarHBondContact O-CG 3.38Å; D83-R87 PolarHBondContact O-N 3.12Å; D83-R87 PolarHBondContact O-NE 3.33Å; D83-R87 IonicContact OD2-NH2 3.02Å; D83-R87 PolarHBondContact OD2-NH2 2.96Å |
| 84 | I | 75.2 | Confident | 74.5 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.9 | -47.6 | 169.8 | -67.2 | 166.6 | 0 | 0 | 0 | 110.1 | F68 L69 A72 I80 I81 K86 R87 H88 | F68-I84 HydrophobicContact CB-CD1 4.39Å; F68-I84 HydrophobicContact CD1-CD1 3.96Å; L69-I84 HydrophobicContact CB-CD1 4.39Å; L69-I84 HydrophobicContact CB-CG2 4.25Å; L69-I84 HydrophobicContact CD1-CB 4.31Å; L69-I84 HydrophobicContact CD1-CD1 4.3Å; L69-I84 HydrophobicContact CD1-CG2 4.07Å; L69-I84 HydrophobicContact CD2-CG2 4.43Å; L69-I84 HydrophobicContact CG-CG2 4.48Å; A72-I84 HydrophobicContact CB-CD1 4.35Å; I80-I84 HydrophobicContact CG2-CD1 3.72Å; I80-I84 HydrophobicContact CG2-CG1 4.34Å; I80-I84 WeakPolarHBondContact O-CB 3.28Å; I80-I84 VanDerWaalsContact O-CG1 3.27Å; I80-I84 WeakPolarHBondContact O-CG1 3.45Å; I80-I84 PolarHBondContact O-N 2.95Å; I81-I84 PolarHBondContact O-N 3.39Å; I84-K86 VanDerWaalsContact C-N 3.28Å; I84-K86 PolarHBondContact O-N 3.32Å; I84-R87 PolarHBondContact O-N 2.76Å; I84-H88 PolarHBondContact O-N 3.06Å |
| 85 | L | 77.6 | Confident | 74.5 | Confident | 22 Ų | 22 | 65 Ų | 65 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -34.4 | 179 | -69 | 175.1 | 0 | 0 | 0 | 112.2 | I81 R87 S89 I93 L119 A122 | I81-L85 HydrophobicContact CG2-CD1 3.59Å; I81-L85 HydrophobicContact CG2-CG 4.13Å; I81-L85 WeakPolarHBondContact O-CB 3.4Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 3.19Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-R87 PolarHBondContact O-N 3.25Å; L85-S89 WeakPolarHBondContact O-CA 3.15Å; L85-S89 VanDerWaalsContact O-CB 3.28Å; L85-S89 WeakPolarHBondContact O-CB 3.38Å; L85-I93 HydrophobicContact CD2-CD1 3.49Å; L85-I93 VanDerWaalsContact CD2-CD1 3.49Å; L85-I93 HydrophobicContact CD2-CG1 3.63Å; L85-L119 HydrophobicContact CD1-CD2 4.42Å; L85-L119 HydrophobicContact CD2-CD2 4.28Å; L85-A122 HydrophobicContact CD1-CB 3.94Å; L85-A122 HydrophobicContact CD2-CB 3.93Å; L85-A122 HydrophobicContact CG-CB 4.44Å |
| 86 | K | 74.8 | Confident | 74.8 | Confident | 146 Ų | 146 | 65.6 Ų | 65.6 | 64% | 0.635 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -21.8 | 172.3 | -73.6 | 166.8 | -150.6 | 152.5 | 0 | 114.3 | D82 D83 I84 | D82-K86 WeakPolarHBondContact O-CB 3.04Å; D82-K86 WeakPolarHBondContact O-CD 3.22Å; D82-K86 WeakPolarHBondContact O-CE 3.25Å; D82-K86 WeakPolarHBondContact O-CG 3.5Å; D82-K86 PolarHBondContact O-N 3.11Å; D83-K86 IonicContact OD1-NZ 2.77Å; D83-K86 PolarHBondContact OD1-NZ 2.8Å; I84-K86 VanDerWaalsContact C-N 3.28Å; I84-K86 PolarHBondContact O-N 3.32Å |
| 87 | R | 66.9 | Low | 74.9 | Confident | 129 Ų | 129 | 66.2 Ų | 66.2 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -35.4 | -174.5 | -69.4 | 175.3 | -158.5 | 178.6 | 12.7 | 113.4 | D83 I84 L85 | D83-R87 WeakPolarHBondContact O-CD 3.39Å; D83-R87 WeakPolarHBondContact O-CG 3.38Å; D83-R87 PolarHBondContact O-N 3.12Å; D83-R87 PolarHBondContact O-NE 3.33Å; D83-R87 IonicContact OD2-NH2 3.02Å; D83-R87 PolarHBondContact OD2-NH2 2.96Å; I84-R87 PolarHBondContact O-N 2.76Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-R87 PolarHBondContact O-N 3.25Å |
| 88 | H | 62.1 | Low | 74.8 | Confident | 88 Ų | 88 | 70.8 Ų | 70.8 | 41% | 0.407 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -140.1 | 57.6 | -170.7 | -56.3 | -71.5 | 0 | 0 | 0 | 111.6 | I84 E90 L92 | I84-H88 PolarHBondContact O-N 3.06Å; H88-E90 VanDerWaalsContact C-N 3.32Å; H88-E90 PolarHBondContact O-N 2.82Å; H88-E90 VanDerWaalsContact O-N 3.13Å; H88-L92 HydrophobicContact CB-CD1 3.49Å; H88-L92 VanDerWaalsContact CB-CD1 3.49Å |
| 89 | S | 59.7 | Low | 74.5 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 48% | 0.483 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.8 | -161.5 | 59.2 | 0 | 0 | 0 | 0 | 117.8 | L85 I93 | L85-S89 WeakPolarHBondContact O-CA 3.15Å; L85-S89 VanDerWaalsContact O-CB 3.28Å; L85-S89 WeakPolarHBondContact O-CB 3.38Å; S89-I93 WeakPolarHBondContact O-CD1 3.2Å |
| 90 | E | 65.5 | Low | 74.8 | Confident | 169 Ų | 169 | 65.6 Ų | 65.6 | 79% | 0.79 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | -43.6 | -173.8 | -68.2 | -178.1 | 174.5 | 0 | 0 | 113.7 | H88 L92 | H88-E90 VanDerWaalsContact C-N 3.32Å; H88-E90 PolarHBondContact O-N 2.82Å; H88-E90 VanDerWaalsContact O-N 3.13Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 3.28Å |
| 91 | S | 69.1 | Low | 75.2 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 64% | 0.643 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -18 | -173.4 | 59.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 92 | L | 73.2 | Confident | 75.6 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -24.2 | -174.9 | -94.6 | 140.3 | 0 | 0 | 0 | 113.8 | T67 L69 H88 E90 | T67-L92 HydrophobicContact CG2-CD2 3.75Å; T67-L92 WeakPolarHBondContact OG1-CD2 3.33Å; L69-L92 HydrophobicContact CB-CD2 4.17Å; L69-L92 HydrophobicContact CD2-CB 4.09Å; H88-L92 HydrophobicContact CB-CD1 3.49Å; H88-L92 VanDerWaalsContact CB-CD1 3.49Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 3.28Å |
| 93 | I | 79.8 | Confident | 76 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -41.2 | -174.8 | -61.4 | -171.2 | 0 | 0 | 0 | 112.1 | L85 S89 P103 A122 A124 | L85-I93 HydrophobicContact CD2-CD1 3.49Å; L85-I93 VanDerWaalsContact CD2-CD1 3.49Å; L85-I93 HydrophobicContact CD2-CG1 3.63Å; S89-I93 WeakPolarHBondContact O-CD1 3.2Å; I93-P103 VanDerWaalsContact O-CD 3.32Å; I93-P103 WeakPolarHBondContact O-CD 3.46Å; I93-A122 HydrophobicContact CD1-CB 3.77Å; I93-A122 VanDerWaalsContact CD1-O 3.31Å; I93-A122 WeakPolarHBondContact CD1-O 3.44Å; I93-A124 HydrophobicContact CG2-CB 3.44Å; I93-A124 VanDerWaalsContact CG2-CB 3.44Å |
| 94 | E | 82 | Confident | 76.7 | Confident | 70 Ų | 70 | 58.2 Ų | 58.2 | 33% | 0.327 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -101 | 5 | -175 | -68.6 | -60.1 | 152 | 0 | 0 | 113.8 | K96 A124 N125 T128 | E94-K96 PolarHBondContact O-N 2.9Å; E94-A124 WeakPolarHBondContact OE1-CA 3.22Å; E94-N125 PolarHBondContact OE1-N 3.37Å; E94-T128 WeakPolarHBondContact OE2-CG2 3.46Å |
| 95 | K | 79.6 | Confident | 77.3 | Confident | 108 Ų | 108 | 57.2 Ų | 57.2 | 47% | 0.47 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -69 | 132.2 | 180 | -169.1 | 159.8 | 173.6 | -175.8 | 0 | 109.5 | T67 H70 | T67-K95 HydrophobicContact CG2-CD 3.81Å; T67-K95 HydrophobicContact CG2-CG 4.44Å; H70-K95 PolarHBondContact CE1-O 3.08Å; H70-K95 PolarHBondContact NE2-O 3.47Å; H70-K95 VanDerWaalsContact NE2-O 3.16Å |
| 96 | K | 83.1 | Confident | 77.6 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 41% | 0.413 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -100.6 | 146.5 | -177.7 | -64.9 | -172.7 | 176.3 | -160.2 | 0 | 112.3 | E94 G100 F101 T102 T129 | E94-K96 PolarHBondContact O-N 2.9Å; K96-G100 WeakPolarHBondContact CD-O 3.13Å; K96-F101 CarbonylContact C-O 3.41Å; K96-F101 VanDerWaalsContact CA-O 3.27Å; K96-F101 WeakPolarHBondContact CA-O 3.38Å; K96-T102 HydrophobicContact CG-CG2 3.87Å; K96-T129 PolarHBondContact NZ-O 3.17Å |
| 97 | T | 80.1 | Confident | 78.2 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 8% | 0.08 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 172.2 | 161.8 | 68.3 | 0 | 0 | 0 | 0 | 111 | E99 G100 F101 | T97-E99 PolarHBondContact O-N 2.93Å; T97-E99 PolarHBondContact OG1-N 2.93Å; T97-G100 WeakPolarHBondContact O-CA 3.32Å; T97-G100 PolarHBondContact O-N 3.17Å; T97-F101 HydrophobicContact CG2-CB 4.41Å; T97-F101 PolarHBondContact N-O 3.15Å; T97-F101 PolarHBondContact OG1-N 2.71Å |
| 98 | I | 77.5 | Confident | 79.1 | Confident | 118 Ų | 118 | 43.5 Ų | 43.5 | 61% | 0.605 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -34.2 | 174.8 | -57.1 | -164.5 | 0 | 0 | 0 | 111.8 | S64 A65 G100 | S64-I98 VanDerWaalsContact OG-CD1 3.23Å; S64-I98 WeakPolarHBondContact OG-CD1 2.84Å; A65-I98 HydrophobicContact CB-CG1 4.25Å; I98-G100 PolarHBondContact O-N 3.34Å |
| 99 | E | 72.9 | Confident | 80.1 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -3 | 175 | -63.3 | 178.1 | 171.8 | 0 | 0 | 113 | T61 V62 T97 F101 T131 | T61-E99 PolarHBondContact N-OE1 3.08Å; T61-E99 PolarHBondContact OG1-OE1 3.2Å; V62-E99 PolarHBondContact N-OE1 3.4Å; T97-E99 PolarHBondContact O-N 2.93Å; T97-E99 PolarHBondContact OG1-N 2.93Å; E99-F101 HydrophobicContact CB-CD2 3.78Å; E99-F101 HydrophobicContact CB-CE2 3.67Å; E99-F101 WeakPolarHBondContact OE2-CE2 3.38Å; E99-T131 WeakPolarHBondContact O-CB 3.43Å; E99-T131 VanDerWaalsContact O-CG2 3.26Å; E99-T131 WeakPolarHBondContact O-CG2 3.22Å; E99-T131 PolarHBondContact O-N 3.46Å; E99-T131 PolarHBondContact O-OG1 2.83Å |
| 100 | G | 82.4 | Confident | 81.1 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | trans | 91.5 | 2.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K96 T97 I98 | K96-G100 WeakPolarHBondContact CD-O 3.13Å; T97-G100 WeakPolarHBondContact O-CA 3.32Å; T97-G100 PolarHBondContact O-N 3.17Å; I98-G100 PolarHBondContact O-N 3.34Å | ||
| 101 | F | 85.2 | Confident | 81.8 | Confident | 20 Ų | 20 | 29.5 Ų | 29.5 | 9% | 0.088 | 16% | 0.155 | C | C | . | . | trans | -72.2 | 136 | -178.7 | -62.9 | -60.9 | 0 | 0 | 0 | 112 | H70 K96 T97 E99 H105 I106 D130 H139 | H70-F101 PolarHBondContact NE2-O 3.19Å; K96-F101 CarbonylContact C-O 3.41Å; K96-F101 VanDerWaalsContact CA-O 3.27Å; K96-F101 WeakPolarHBondContact CA-O 3.38Å; T97-F101 HydrophobicContact CG2-CB 4.41Å; T97-F101 PolarHBondContact N-O 3.15Å; T97-F101 PolarHBondContact OG1-N 2.71Å; E99-F101 HydrophobicContact CB-CD2 3.78Å; E99-F101 HydrophobicContact CB-CE2 3.67Å; E99-F101 WeakPolarHBondContact OE2-CE2 3.38Å; F101-H105 HydrophobicContact CB-CB 4.34Å; F101-H105 HydrophobicContact CD1-CB 3.93Å; F101-I106 HydrophobicContact CB-CG1 4.41Å; F101-D130 HydrophobicContact CD1-CB 4.08Å; F101-D130 HydrophobicContact CE1-CB 3.94Å; F101-H139 AromaticContact CE1-CE1 3.53Å; F101-H139 AromaticContact CE1-NE2 3.75Å | ||
| 102 | T | 87.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -94.7 | 165.8 | 165.1 | 67.1 | 0 | 0 | 0 | 0 | 110.2 | K96 L104 H105 I106 | K96-T102 HydrophobicContact CG-CG2 3.87Å; T102-L104 PolarHBondContact O-N 2.86Å; T102-L104 VanDerWaalsContact O-N 3.15Å; T102-L104 PolarHBondContact OG1-N 3.05Å; T102-H105 PolarHBondContact N-ND1 3.31Å; T102-H105 WeakPolarHBondContact O-CB 3.45Å; T102-H105 PolarHBondContact O-N 2.78Å; T102-H105 PolarHBondContact OG1-N 3.05Å; T102-H105 PolarHBondContact OG1-ND1 3.16Å; T102-I106 PolarHBondContact O-N 3.19Å; T102-I106 VanDerWaalsContact O-N 3.11Å | ||
| 103 | P | 86.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54 | -31.5 | 171 | -25.8 | 35.2 | 0 | 0 | 0 | 113.2 | L69 H70 A73 I93 I106 S107 L119 | L69-P103 HydrophobicContact CB-CG 4.43Å; L69-P103 HydrophobicContact CD2-CB 4.29Å; L69-P103 HydrophobicContact CD2-CG 3.93Å; L69-P103 HydrophobicContact CG-CB 4.03Å; L69-P103 HydrophobicContact CG-CG 3.92Å; H70-P103 WeakPolarHBondContact NE2-CD 3.37Å; A73-P103 HydrophobicContact CB-CB 4.37Å; I93-P103 VanDerWaalsContact O-CD 3.32Å; I93-P103 WeakPolarHBondContact O-CD 3.46Å; P103-I106 PolarHBondContact O-N 2.59Å; P103-S107 PolarHBondContact O-N 3.47Å; P103-S107 PolarHBondContact O-OG 3.28Å; P103-L119 HydrophobicContact CB-CD1 4.26Å |
| 104 | L | 89.1 | Confident | 83.5 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | 175.4 | -173.9 | 65.4 | 0 | 0 | 0 | 111.8 | T102 I106 S107 A108 V116 L119 A124 P126 A136 | T102-L104 PolarHBondContact O-N 2.86Å; T102-L104 VanDerWaalsContact O-N 3.15Å; T102-L104 PolarHBondContact OG1-N 3.05Å; L104-I106 VanDerWaalsContact C-N 3.3Å; L104-I106 PolarHBondContact O-N 2.93Å; L104-S107 WeakPolarHBondContact CA-OG 3.37Å; L104-S107 PolarHBondContact O-N 3.41Å; L104-S107 PolarHBondContact O-OG 3Å; L104-A108 WeakPolarHBondContact O-CB 3.32Å; L104-A108 PolarHBondContact O-N 2.88Å; L104-V116 HydrophobicContact CD1-CB 4.35Å; L104-V116 HydrophobicContact CD1-CG1 4.17Å; L104-V116 HydrophobicContact CD1-CG2 4.13Å; L104-L119 HydrophobicContact CB-CD1 4.41Å; L104-L119 HydrophobicContact CD1-CB 4.02Å; L104-L119 HydrophobicContact CD1-CD1 4.31Å; L104-A124 HydrophobicContact CB-CB 4.29Å; L104-A124 HydrophobicContact CD2-CB 4.03Å; L104-P126 HydrophobicContact CD2-CB 4.04Å; L104-A136 HydrophobicContact CD2-CB 4.12Å; L104-A136 HydrophobicContact CG-CB 4.13Å |
| 105 | H | 88.2 | Confident | 83.6 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.8 | -43.5 | 174.2 | -71.4 | 88.3 | 0 | 0 | 0 | 111.8 | F101 T102 A108 G109 T128 R134 H139 | F101-H105 HydrophobicContact CB-CB 4.34Å; F101-H105 HydrophobicContact CD1-CB 3.93Å; T102-H105 PolarHBondContact N-ND1 3.31Å; T102-H105 WeakPolarHBondContact O-CB 3.45Å; T102-H105 PolarHBondContact O-N 2.78Å; T102-H105 PolarHBondContact OG1-N 3.05Å; T102-H105 PolarHBondContact OG1-ND1 3.16Å; H105-A108 PolarHBondContact O-N 3.08Å; H105-G109 PolarHBondContact O-N 2.76Å; H105-T128 PolarHBondContact CE1-O 2.91Å; H105-T128 PolarHBondContact CE1-OG1 3.45Å; H105-T128 PolarHBondContact NE2-O 3.28Å; H105-T128 VanDerWaalsContact NE2-O 3.1Å; H105-R134 PolarHBondContact NE2-O 3.29Å; H105-H139 AromaticContact CD2-CD2 3.66Å |
| 106 | I | 84.4 | Confident | 84 | Confident | 9 Ų | 9 | 15.9 Ų | 15.9 | 5% | 0.046 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.6 | -53.3 | 175.6 | -67.8 | -176.2 | 0 | 0 | 0 | 110.3 | H70 A73 W74 F101 T102 P103 L104 A108 G109 V110 | H70-I106 HydrophobicContact CB-CD1 3.94Å; A73-I106 HydrophobicContact CB-CB 4.35Å; A73-I106 HydrophobicContact CB-CG2 3.98Å; W74-I106 HydrophobicContact CB-CG2 4.09Å; W74-I106 HydrophobicContact CE3-CG2 3.99Å; F101-I106 HydrophobicContact CB-CG1 4.41Å; T102-I106 PolarHBondContact O-N 3.19Å; T102-I106 VanDerWaalsContact O-N 3.11Å; P103-I106 PolarHBondContact O-N 2.59Å; L104-I106 VanDerWaalsContact C-N 3.3Å; L104-I106 PolarHBondContact O-N 2.93Å; I106-A108 PolarHBondContact O-N 3.07Å; I106-G109 PolarHBondContact O-N 2.96Å; I106-V110 HydrophobicContact CG2-CG2 3.91Å; I106-V110 VanDerWaalsContact O-CB 3.24Å; I106-V110 WeakPolarHBondContact O-CB 3.35Å; I106-V110 WeakPolarHBondContact O-CG2 3.29Å; I106-V110 PolarHBondContact O-N 2.99Å |
| 107 | S | 86.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.9 | -35.8 | 179.7 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | P103 L104 G111 D112 V116 | P103-S107 PolarHBondContact O-N 3.47Å; P103-S107 PolarHBondContact O-OG 3.28Å; L104-S107 WeakPolarHBondContact CA-OG 3.37Å; L104-S107 PolarHBondContact O-N 3.41Å; L104-S107 PolarHBondContact O-OG 3Å; S107-G111 PolarHBondContact O-N 2.81Å; S107-D112 PolarHBondContact O-N 3.26Å; S107-V116 VanDerWaalsContact OG-CG2 3.31Å; S107-V116 WeakPolarHBondContact OG-CG2 3.31Å |
| 108 | A | 86.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.7 | -47.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L104 H105 I106 V110 G111 V116 A136 H139 T147 L151 | L104-A108 WeakPolarHBondContact O-CB 3.32Å; L104-A108 PolarHBondContact O-N 2.88Å; H105-A108 PolarHBondContact O-N 3.08Å; I106-A108 PolarHBondContact O-N 3.07Å; A108-V110 VanDerWaalsContact C-N 3.29Å; A108-V110 PolarHBondContact O-N 2.68Å; A108-G111 PolarHBondContact O-N 3.49Å; A108-V116 HydrophobicContact CB-CG2 4.36Å; A108-A136 WeakPolarHBondContact CB-O 3.09Å; A108-H139 HydrophobicContact CB-CB 4.26Å; A108-T147 HydrophobicContact CB-CG2 4.45Å; A108-L151 HydrophobicContact CB-CD1 4.28Å |
| 109 | G | 82.1 | Confident | 84.8 | Confident | 12 Ų | 12 | 9 Ų | 9 | 12% | 0.124 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -69.5 | -23.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | H105 I106 G111 | H105-G109 PolarHBondContact O-N 2.76Å; I106-G109 PolarHBondContact O-N 2.96Å; G109-G111 VanDerWaalsContact C-N 3.34Å |
| 110 | V | 81.2 | Confident | 85.4 | Confident | 20 Ų | 20 | 8.6 Ų | 8.6 | 12% | 0.121 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -79.9 | -15.7 | 173.6 | 170 | 0 | 0 | 0 | 0 | 112 | W74 I106 A108 D112 N251 | W74-V110 HydrophobicContact CE3-CG2 4.03Å; W74-V110 HydrophobicContact CZ3-CG2 4.46Å; I106-V110 HydrophobicContact CG2-CG2 3.91Å; I106-V110 VanDerWaalsContact O-CB 3.24Å; I106-V110 WeakPolarHBondContact O-CB 3.35Å; I106-V110 WeakPolarHBondContact O-CG2 3.29Å; I106-V110 PolarHBondContact O-N 2.99Å; A108-V110 VanDerWaalsContact C-N 3.29Å; A108-V110 PolarHBondContact O-N 2.68Å; V110-D112 HydrophobicContact CG1-CB 4.36Å; V110-N251 WeakPolarHBondContact CG1-ND2 3.39Å; V110-N251 PolarHBondContact O-ND2 2.84Å |
| 111 | G | 80 | Confident | 85.5 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 15 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S107 A108 G109 F113 T147 F254 | S107-G111 PolarHBondContact O-N 2.81Å; A108-G111 PolarHBondContact O-N 3.49Å; G109-G111 VanDerWaalsContact C-N 3.34Å; G111-F113 PolarHBondContact O-N 3.01Å; G111-F113 VanDerWaalsContact O-N 3.13Å; G111-T147 VanDerWaalsContact C-OG1 3.32Å; G111-T147 PolarHBondContact O-OG1 2.92Å; G111-T147 VanDerWaalsContact O-OG1 3.12Å; G111-F254 WeakPolarHBondContact O-CD1 3.42Å; G111-F254 WeakPolarHBondContact O-CE1 3.4Å |
| 112 | D | 86 | Confident | 85.4 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -87.2 | 80.2 | -176.6 | -166.9 | -25.6 | 0 | 0 | 0 | 111.6 | S76 H78 S107 V110 V114 A115 V116 F254 | S76-D112 VanDerWaalsContact CA-OD2 3.26Å; S76-D112 WeakPolarHBondContact CA-OD2 3.33Å; S76-D112 WeakPolarHBondContact CB-OD2 3.44Å; S76-D112 PolarHBondContact OG-OD2 3.14Å; H78-D112 IonicContact CD2-OD1 3.68Å; H78-D112 IonicContact CD2-OD2 2.71Å; H78-D112 IonicContact CE1-OD1 3.73Å; H78-D112 VanDerWaalsContact NE2-CG 3.35Å; H78-D112 IonicContact NE2-OD1 2.68Å; H78-D112 PolarHBondContact NE2-OD1 3.26Å; H78-D112 IonicContact NE2-OD2 2.73Å; H78-D112 PolarHBondContact NE2-OD2 3.39Å; S107-D112 PolarHBondContact O-N 3.26Å; V110-D112 HydrophobicContact CG1-CB 4.36Å; D112-V114 PolarHBondContact O-N 3.34Å; D112-V114 VanDerWaalsContact O-N 3.14Å; D112-V114 WeakPolarHBondContact OD1-CB 3.41Å; D112-V114 PolarHBondContact OD1-N 3.14Å; D112-V114 VanDerWaalsContact OD1-N 3.16Å; D112-A115 HydrophobicContact CB-CB 3.91Å; D112-A115 VanDerWaalsContact CG-CB 3.42Å; D112-A115 PolarHBondContact O-N 3.14Å; D112-A115 VanDerWaalsContact O-N 3.16Å; D112-A115 WeakPolarHBondContact OD1-CB 3.31Å; D112-A115 PolarHBondContact OD1-N 2.98Å; D112-V116 PolarHBondContact O-N 2.8Å; D112-F254 HydrophobicContact CB-CD1 4.41Å; D112-F254 HydrophobicContact CB-CD2 4.24Å; D112-F254 HydrophobicContact CB-CE2 4.3Å; D112-F254 HydrophobicContact CB-CG 4.32Å; D112-F254 HydrophobicContact CB-CZ 4.46Å; D112-F254 VanDerWaalsContact CG-CE2 3.46Å; D112-F254 WeakPolarHBondContact OD1-CE2 3.18Å; D112-F254 WeakPolarHBondContact OD1-CZ 3.48Å | ||
| 113 | F | 85.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.1 | -23.1 | 176.9 | 62.8 | -101.2 | 0 | 0 | 0 | 113.6 | G111 E117 E146 T147 V150 I248 F254 Y266 L268 | G111-F113 PolarHBondContact O-N 3.01Å; G111-F113 VanDerWaalsContact O-N 3.13Å; F113-E117 WeakPolarHBondContact O-CB 3.45Å; F113-E117 PolarHBondContact O-N 2.79Å; F113-E146 HydrophobicContact CD1-CB 3.84Å; F113-E146 HydrophobicContact CE1-CB 4.34Å; F113-E146 HydrophobicContact CG-CB 4.37Å; F113-T147 PolarHBondContact N-OG1 3.39Å; F113-V150 HydrophobicContact CB-CG2 4.4Å; F113-I248 HydrophobicContact CE1-CG2 3.67Å; F113-I248 HydrophobicContact CZ-CG2 3.51Å; F113-F254 AromaticContact CD1-CE1 3.64Å; F113-F254 HydrophobicContact CD1-CE1 3.64Å; F113-F254 AromaticContact CD1-CZ 3.74Å; F113-F254 HydrophobicContact CD1-CZ 3.74Å; F113-F254 HydrophobicContact CD2-CZ 4.4Å; F113-F254 AromaticContact CE1-CE1 3.52Å; F113-F254 HydrophobicContact CE1-CE1 3.52Å; F113-F254 AromaticContact CE1-CZ 3.56Å; F113-F254 HydrophobicContact CE1-CZ 3.56Å; F113-F254 HydrophobicContact CE2-CZ 4.23Å; F113-F254 HydrophobicContact CG-CE1 4.42Å; F113-F254 HydrophobicContact CG-CZ 4.15Å; F113-F254 HydrophobicContact CZ-CE1 4.22Å; F113-F254 AromaticContact CZ-CZ 3.82Å; F113-F254 HydrophobicContact CZ-CZ 3.82Å; F113-Y266 HydrophobicContact CD2-CE1 4.14Å; F113-Y266 AromaticContact CE2-CD1 3.86Å; F113-Y266 HydrophobicContact CE2-CD1 3.86Å; F113-Y266 AromaticContact CE2-CE1 3.8Å; F113-Y266 HydrophobicContact CE2-CE1 3.8Å; F113-Y266 HydrophobicContact CE2-CG 4.39Å; F113-L268 HydrophobicContact CD2-CD2 3.96Å; F113-L268 HydrophobicContact CE2-CD2 3.72Å; F113-L268 HydrophobicContact CZ-CD2 4.04Å |
| 114 | V | 84.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -75.8 | -42.6 | 177.2 | 177 | 0 | 0 | 0 | 0 | 110.4 | D112 E117 R118 F254 L258 Y266 | D112-V114 PolarHBondContact O-N 3.34Å; D112-V114 VanDerWaalsContact O-N 3.14Å; D112-V114 WeakPolarHBondContact OD1-CB 3.41Å; D112-V114 PolarHBondContact OD1-N 3.14Å; D112-V114 VanDerWaalsContact OD1-N 3.16Å; V114-E117 PolarHBondContact O-N 3.1Å; V114-R118 WeakPolarHBondContact O-CB 3.32Å; V114-R118 WeakPolarHBondContact O-CD 3.31Å; V114-R118 WeakPolarHBondContact O-CG 3.46Å; V114-R118 PolarHBondContact O-N 2.92Å; V114-F254 HydrophobicContact CB-CE2 4.1Å; V114-F254 HydrophobicContact CB-CZ 4.34Å; V114-F254 HydrophobicContact CG2-CE2 3.93Å; V114-F254 HydrophobicContact CG2-CZ 3.92Å; V114-L258 HydrophobicContact CG2-CD2 4.13Å; V114-Y266 HydrophobicContact CB-CE2 4.46Å; V114-Y266 HydrophobicContact CG1-CE2 4.19Å; V114-Y266 HydrophobicContact CG2-CD2 4.21Å; V114-Y266 HydrophobicContact CG2-CE1 4.41Å; V114-Y266 HydrophobicContact CG2-CE2 3.55Å |
| 115 | A | 85.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | I81 D112 R118 L119 | I81-A115 HydrophobicContact CD1-CB 3.84Å; D112-A115 HydrophobicContact CB-CB 3.91Å; D112-A115 VanDerWaalsContact CG-CB 3.42Å; D112-A115 PolarHBondContact O-N 3.14Å; D112-A115 VanDerWaalsContact O-N 3.16Å; D112-A115 WeakPolarHBondContact OD1-CB 3.31Å; D112-A115 PolarHBondContact OD1-N 2.98Å; A115-R118 PolarHBondContact O-N 2.77Å; A115-L119 VanDerWaalsContact O-CB 3.26Å; A115-L119 WeakPolarHBondContact O-CB 3.4Å; A115-L119 WeakPolarHBondContact O-CG 3.49Å; A115-L119 PolarHBondContact O-N 3.04Å |
| 116 | V | 88 | Confident | 85 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.6 | -50.9 | 172.8 | 169 | 0 | 0 | 0 | 0 | 111.6 | L104 S107 A108 D112 R118 L119 C120 T147 V150 L151 | L104-V116 HydrophobicContact CD1-CB 4.35Å; L104-V116 HydrophobicContact CD1-CG1 4.17Å; L104-V116 HydrophobicContact CD1-CG2 4.13Å; S107-V116 VanDerWaalsContact OG-CG2 3.31Å; S107-V116 WeakPolarHBondContact OG-CG2 3.31Å; A108-V116 HydrophobicContact CB-CG2 4.36Å; D112-V116 PolarHBondContact O-N 2.8Å; V116-R118 VanDerWaalsContact C-N 3.29Å; V116-R118 PolarHBondContact O-N 2.82Å; V116-L119 PolarHBondContact O-N 2.77Å; V116-C120 WeakPolarHBondContact O-CB 3.49Å; V116-C120 PolarHBondContact O-N 2.86Å; V116-C120 PolarHBondContact O-SG 3.39Å; V116-T147 HydrophobicContact CB-CG2 4.47Å; V116-T147 HydrophobicContact CG2-CG2 3.77Å; V116-V150 HydrophobicContact CG1-CG1 4.2Å; V116-L151 HydrophobicContact CG1-CD2 3.64Å; V116-L151 HydrophobicContact CG1-CG 3.97Å |
| 117 | E | 84.7 | Confident | 85 | Confident | 32 Ų | 32 | 27.9 Ų | 27.9 | 15% | 0.15 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.8 | -36.3 | 179.7 | -168.6 | -177.9 | -179.5 | 0 | 0 | 111.7 | F113 V114 K121 V150 K219 Y266 | F113-E117 WeakPolarHBondContact O-CB 3.45Å; F113-E117 PolarHBondContact O-N 2.79Å; V114-E117 PolarHBondContact O-N 3.1Å; E117-K121 HydrophobicContact CG-CD 4.18Å; E117-K121 VanDerWaalsContact O-CB 3.25Å; E117-K121 WeakPolarHBondContact O-CB 3.5Å; E117-K121 WeakPolarHBondContact O-CG 3.36Å; E117-K121 PolarHBondContact O-N 2.78Å; E117-K121 WeakPolarHBondContact OE1-CE 3.01Å; E117-K121 IonicContact OE1-NZ 3.08Å; E117-K121 PolarHBondContact OE1-NZ 3.01Å; E117-V150 HydrophobicContact CB-CG1 4.45Å; E117-K219 IonicContact OE1-NZ 2.65Å; E117-Y266 PolarHBondContact OE2-OH 3.46Å |
| 118 | R | 85.4 | Confident | 85 | Confident | 51 Ų | 51 | 28.9 Ų | 28.9 | 19% | 0.192 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.2 | -45.2 | 175.4 | -72.2 | 167.7 | -170 | -133.4 | 6.9 | 112.7 | H78 D82 V114 A115 V116 K121 A122 | H78-R118 PolarHBondContact O-NH1 3.03Å; D82-R118 IonicContact OD1-CZ 2.67Å; D82-R118 IonicContact OD1-NE 3.62Å; D82-R118 IonicContact OD1-NH1 2.78Å; D82-R118 PolarHBondContact OD1-NH1 3.28Å; D82-R118 IonicContact OD2-CZ 2.83Å; D82-R118 IonicContact OD2-NH1 3.24Å; D82-R118 PolarHBondContact OD2-NH1 3.22Å; V114-R118 WeakPolarHBondContact O-CB 3.32Å; V114-R118 WeakPolarHBondContact O-CD 3.31Å; V114-R118 WeakPolarHBondContact O-CG 3.46Å; V114-R118 PolarHBondContact O-N 2.92Å; A115-R118 PolarHBondContact O-N 2.77Å; V116-R118 VanDerWaalsContact C-N 3.29Å; V116-R118 PolarHBondContact O-N 2.82Å; R118-K121 PolarHBondContact O-N 2.94Å; R118-A122 VanDerWaalsContact O-CB 3.32Å; R118-A122 WeakPolarHBondContact O-CB 3.37Å; R118-A122 PolarHBondContact O-N 2.87Å |
| 119 | L | 86.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -44.6 | 178.3 | -73.8 | 170.2 | 0 | 0 | 0 | 110.7 | L85 P103 L104 A115 V116 A122 G123 A124 | L85-L119 HydrophobicContact CD1-CD2 4.42Å; L85-L119 HydrophobicContact CD2-CD2 4.28Å; P103-L119 HydrophobicContact CB-CD1 4.26Å; L104-L119 HydrophobicContact CB-CD1 4.41Å; L104-L119 HydrophobicContact CD1-CB 4.02Å; L104-L119 HydrophobicContact CD1-CD1 4.31Å; A115-L119 VanDerWaalsContact O-CB 3.26Å; A115-L119 WeakPolarHBondContact O-CB 3.4Å; A115-L119 WeakPolarHBondContact O-CG 3.49Å; A115-L119 PolarHBondContact O-N 3.04Å; V116-L119 PolarHBondContact O-N 2.77Å; L119-A122 CarbonylContact O-C 3.51Å; L119-A122 WeakPolarHBondContact O-CA 3.4Å; L119-A122 PolarHBondContact O-N 3.47Å; L119-A122 VanDerWaalsContact O-N 3.09Å; L119-G123 PolarHBondContact O-N 2.76Å; L119-A124 HydrophobicContact CB-CB 3.81Å; L119-A124 VanDerWaalsContact O-CB 3.24Å; L119-A124 WeakPolarHBondContact O-CB 3.36Å; L119-A124 PolarHBondContact O-N 2.8Å |
| 120 | C | 86.6 | Confident | 85.3 | Confident | 24 Ų | 24 | 31.6 Ų | 31.6 | 16% | 0.162 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 174.4 | -69.6 | 0 | 0 | 0 | 0 | 112.4 | V116 A122 G123 V154 | V116-C120 WeakPolarHBondContact O-CB 3.49Å; V116-C120 PolarHBondContact O-N 2.86Å; V116-C120 PolarHBondContact O-SG 3.39Å; C120-A122 PolarHBondContact O-N 3.48Å; C120-G123 PolarHBondContact O-N 2.94Å; C120-G123 VanDerWaalsContact O-N 3.11Å; C120-V154 HydrophobicContact CB-CG1 4.48Å; C120-V154 HydrophobicContact CB-CG2 4.2Å |
| 121 | K | 84 | Confident | 85.5 | Confident | 154 Ų | 154 | 35.3 Ų | 35.3 | 67% | 0.67 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -64.2 | -25.9 | 170.8 | -78.8 | 172.9 | -175.5 | 167.9 | 0 | 113.3 | E117 R118 | E117-K121 HydrophobicContact CG-CD 4.18Å; E117-K121 VanDerWaalsContact O-CB 3.25Å; E117-K121 WeakPolarHBondContact O-CB 3.5Å; E117-K121 WeakPolarHBondContact O-CG 3.36Å; E117-K121 PolarHBondContact O-N 2.78Å; E117-K121 WeakPolarHBondContact OE1-CE 3.01Å; E117-K121 IonicContact OE1-NZ 3.08Å; E117-K121 PolarHBondContact OE1-NZ 3.01Å; R118-K121 PolarHBondContact O-N 2.94Å |
| 122 | A | 82.7 | Confident | 85.7 | Confident | 41 Ų | 41 | 38.2 Ų | 38.2 | 34% | 0.339 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L85 I93 R118 L119 C120 | L85-A122 HydrophobicContact CD1-CB 3.94Å; L85-A122 HydrophobicContact CD2-CB 3.93Å; L85-A122 HydrophobicContact CG-CB 4.44Å; I93-A122 HydrophobicContact CD1-CB 3.77Å; I93-A122 VanDerWaalsContact CD1-O 3.31Å; I93-A122 WeakPolarHBondContact CD1-O 3.44Å; R118-A122 VanDerWaalsContact O-CB 3.32Å; R118-A122 WeakPolarHBondContact O-CB 3.37Å; R118-A122 PolarHBondContact O-N 2.87Å; L119-A122 CarbonylContact O-C 3.51Å; L119-A122 WeakPolarHBondContact O-CA 3.4Å; L119-A122 PolarHBondContact O-N 3.47Å; L119-A122 VanDerWaalsContact O-N 3.09Å; C120-A122 PolarHBondContact O-N 3.48Å |
| 123 | G | 84.7 | Confident | 85.6 | Confident | 59 Ų | 59 | 39.5 Ų | 39.5 | 61% | 0.608 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 100.5 | 7.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | L119 C120 N125 | L119-G123 PolarHBondContact O-N 2.76Å; C120-G123 PolarHBondContact O-N 2.94Å; C120-G123 VanDerWaalsContact O-N 3.11Å; G123-N125 PolarHBondContact O-N 3.14Å |
| 124 | A | 85 | Confident | 85.7 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | trans | -61.9 | 128.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I93 E94 L104 L119 P126 | I93-A124 HydrophobicContact CG2-CB 3.44Å; I93-A124 VanDerWaalsContact CG2-CB 3.44Å; E94-A124 WeakPolarHBondContact OE1-CA 3.22Å; L104-A124 HydrophobicContact CB-CB 4.29Å; L104-A124 HydrophobicContact CD2-CB 4.03Å; L119-A124 HydrophobicContact CB-CB 3.81Å; L119-A124 VanDerWaalsContact O-CB 3.24Å; L119-A124 WeakPolarHBondContact O-CB 3.36Å; L119-A124 PolarHBondContact O-N 2.8Å; A124-P126 WeakPolarHBondContact O-CD 3.2Å | ||
| 125 | N | 87 | Confident | 85.9 | Confident | 70 Ų | 70 | 42.5 Ų | 42.5 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | trans | -86.1 | 112.2 | -174.8 | 179.8 | 4.1 | 0 | 0 | 0 | 111.9 | E94 G123 E127 T128 | E94-N125 PolarHBondContact OE1-N 3.37Å; G123-N125 PolarHBondContact O-N 3.14Å; N125-E127 VanDerWaalsContact C-N 3.27Å; N125-E127 PolarHBondContact O-N 2.92Å; N125-E127 WeakPolarHBondContact OD1-CB 3.38Å; N125-E127 PolarHBondContact OD1-N 3.47Å; N125-T128 HydrophobicContact CB-CG2 3.93Å; N125-T128 WeakPolarHBondContact O-CG2 3.46Å; N125-T128 PolarHBondContact O-N 3.47Å; N125-T128 PolarHBondContact O-OG1 2.86Å | ||
| 126 | P | 86 | Confident | 86 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12.1 | -178.6 | 33.7 | -37.9 | 0 | 0 | 0 | 114.3 | L104 A124 T128 A136 L151 V154 L158 | L104-P126 HydrophobicContact CD2-CB 4.04Å; A124-P126 WeakPolarHBondContact O-CD 3.2Å; P126-T128 VanDerWaalsContact C-N 3.3Å; P126-A136 HydrophobicContact CB-CB 4.38Å; P126-L151 HydrophobicContact CB-CD2 4.14Å; P126-V154 HydrophobicContact CG-CG1 4.27Å; P126-L158 HydrophobicContact CB-CD1 3.86Å; P126-L158 HydrophobicContact CB-CD2 4.25Å; P126-L158 HydrophobicContact CG-CD1 4.18Å; P126-L158 WeakPolarHBondContact O-CD2 3.36Å |
| 127 | E | 85.6 | Confident | 86.1 | Confident | 103 Ų | 103 | 42.5 Ų | 42.5 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -6.4 | 174.8 | -60.8 | -172.3 | 162 | 0 | 0 | 112.8 | N125 N155 L158 | N125-E127 VanDerWaalsContact C-N 3.27Å; N125-E127 PolarHBondContact O-N 2.92Å; N125-E127 WeakPolarHBondContact OD1-CB 3.38Å; N125-E127 PolarHBondContact OD1-N 3.47Å; E127-N155 PolarHBondContact OE1-ND2 3.44Å; E127-L158 HydrophobicContact CB-CD2 4.49Å; E127-L158 HydrophobicContact CG-CD2 3.82Å |
| 128 | T | 86.2 | Confident | 86.2 | Confident | 21 Ų | 21 | 41.1 Ų | 41.1 | 13% | 0.129 | 24% | 0.236 | C | C | . | . | trans | -62.5 | 146.4 | 174 | 53.9 | 0 | 0 | 0 | 0 | 111.3 | E94 H105 N125 P126 N135 | E94-T128 WeakPolarHBondContact OE2-CG2 3.46Å; H105-T128 PolarHBondContact CE1-O 2.91Å; H105-T128 PolarHBondContact CE1-OG1 3.45Å; H105-T128 PolarHBondContact NE2-O 3.28Å; H105-T128 VanDerWaalsContact NE2-O 3.1Å; N125-T128 HydrophobicContact CB-CG2 3.93Å; N125-T128 WeakPolarHBondContact O-CG2 3.46Å; N125-T128 PolarHBondContact O-N 3.47Å; N125-T128 PolarHBondContact O-OG1 2.86Å; P126-T128 VanDerWaalsContact C-N 3.3Å; T128-N135 WeakPolarHBondContact O-CA 3.4Å | ||
| 129 | T | 88.8 | Confident | 86.2 | Confident | 61 Ų | 61 | 39.5 Ų | 39.5 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -118.5 | 151.1 | -178.9 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | K96 R134 N135 | K96-T129 PolarHBondContact NZ-O 3.17Å; T129-R134 CarbonylContact C-O 3.58Å; T129-R134 VanDerWaalsContact CA-O 3.22Å; T129-R134 WeakPolarHBondContact CA-O 2.96Å; T129-N135 HydrophobicContact CG2-CB 4.34Å |
| 130 | D | 86.1 | Confident | 86 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | trans | -76.9 | -179.7 | 167.7 | 72.9 | 13.5 | 0 | 0 | 0 | 112.5 | F101 N132 G133 R134 H139 | F101-D130 HydrophobicContact CD1-CB 4.08Å; F101-D130 HydrophobicContact CE1-CB 3.94Å; D130-N132 PolarHBondContact O-N 3.07Å; D130-N132 VanDerWaalsContact O-N 3.16Å; D130-N132 VanDerWaalsContact OD1-CA 3.32Å; D130-N132 WeakPolarHBondContact OD1-CA 3.47Å; D130-N132 WeakPolarHBondContact OD1-CB 3.34Å; D130-N132 PolarHBondContact OD1-N 3.22Å; D130-G133 PolarHBondContact O-N 3.42Å; D130-G133 PolarHBondContact OD1-N 2.59Å; D130-G133 VanDerWaalsContact OD1-N 3.12Å; D130-R134 PolarHBondContact N-O 3.44Å; D130-R134 WeakPolarHBondContact OD1-CB 3.36Å; D130-R134 PolarHBondContact OD1-N 2.99Å; D130-R134 WeakPolarHBondContact OD2-CB 3.47Å; D130-R134 WeakPolarHBondContact OD2-CD 3.18Å; D130-H139 IonicContact OD2-CE1 2.8Å; D130-H139 IonicContact OD2-NE2 2.99Å; D130-H139 PolarHBondContact OD2-NE2 3.5Å | ||
| 131 | T | 85.1 | Confident | 85.9 | Confident | 97 Ų | 97 | 39 Ų | 39 | 60% | 0.595 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.3 | 178 | 47.9 | 0 | 0 | 0 | 0 | 114.9 | E99 | E99-T131 WeakPolarHBondContact O-CB 3.43Å; E99-T131 VanDerWaalsContact O-CG2 3.26Å; E99-T131 WeakPolarHBondContact O-CG2 3.22Å; E99-T131 PolarHBondContact O-N 3.46Å; E99-T131 PolarHBondContact O-OG1 2.83Å |
| 132 | N | 83.9 | Confident | 85.6 | Confident | 62 Ų | 62 | 33.4 Ų | 33.4 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 2.4 | 176.2 | -60.4 | -79.5 | 0 | 0 | 0 | 112.7 | D130 R134 S164 | D130-N132 PolarHBondContact O-N 3.07Å; D130-N132 VanDerWaalsContact O-N 3.16Å; D130-N132 VanDerWaalsContact OD1-CA 3.32Å; D130-N132 WeakPolarHBondContact OD1-CA 3.47Å; D130-N132 WeakPolarHBondContact OD1-CB 3.34Å; D130-N132 PolarHBondContact OD1-N 3.22Å; N132-R134 HydrophobicContact CB-CG 4.28Å; N132-S164 WeakPolarHBondContact O-CB 3.48Å; N132-S164 PolarHBondContact O-N 2.97Å; N132-S164 PolarHBondContact O-OG 2.97Å |
| 133 | G | 85.7 | Confident | 85.2 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 81.5 | 10.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D130 | D130-G133 PolarHBondContact O-N 3.42Å; D130-G133 PolarHBondContact OD1-N 2.59Å; D130-G133 VanDerWaalsContact OD1-N 3.12Å |
| 134 | R | 87.6 | Confident | 84.9 | Confident | 61 Ų | 61 | 30 Ų | 30 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | trans | -85.8 | 134.9 | -179.4 | -59.7 | 162.8 | 171.6 | 158.5 | -8.4 | 110.2 | H105 T129 D130 N132 H138 D163 Y172 | H105-R134 PolarHBondContact NE2-O 3.29Å; T129-R134 CarbonylContact C-O 3.58Å; T129-R134 VanDerWaalsContact CA-O 3.22Å; T129-R134 WeakPolarHBondContact CA-O 2.96Å; D130-R134 PolarHBondContact N-O 3.44Å; D130-R134 WeakPolarHBondContact OD1-CB 3.36Å; D130-R134 PolarHBondContact OD1-N 2.99Å; D130-R134 WeakPolarHBondContact OD2-CB 3.47Å; D130-R134 WeakPolarHBondContact OD2-CD 3.18Å; N132-R134 HydrophobicContact CB-CG 4.28Å; R134-H138 HydrophobicContact CB-CB 3.86Å; R134-H138 HydrophobicContact CG-CB 4.35Å; R134-D163 HydrophobicContact CG-CB 3.81Å; R134-D163 IonicContact NE-OD2 2.64Å; R134-Y172 PolarHBondContact NE-OH 3.4Å; R134-Y172 PolarHBondContact NH2-OH 3.34Å; R134-Y172 VanDerWaalsContact NH2-OH 3.07Å | ||
| 135 | N | 89.3 | Confident | 84.6 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -90.8 | 176.9 | 174.8 | 73 | 11.7 | 0 | 0 | 0 | 112.7 | T128 T129 L137 H138 H139 L158 A161 | T128-N135 WeakPolarHBondContact O-CA 3.4Å; T129-N135 HydrophobicContact CG2-CB 4.34Å; N135-L137 PolarHBondContact O-N 3.48Å; N135-L137 VanDerWaalsContact O-N 3.15Å; N135-L137 WeakPolarHBondContact OD1-CB 3.38Å; N135-L137 PolarHBondContact OD1-N 3.08Å; N135-H138 PolarHBondContact N-ND1 3.16Å; N135-H138 WeakPolarHBondContact O-CB 3.36Å; N135-H138 PolarHBondContact O-N 3.44Å; N135-H138 VanDerWaalsContact O-N 3.11Å; N135-H138 PolarHBondContact OD1-N 3.15Å; N135-H138 VanDerWaalsContact OD1-N 3.1Å; N135-H138 PolarHBondContact OD1-ND1 2.97Å; N135-H139 PolarHBondContact O-CD2 2.84Å; N135-L158 PolarHBondContact ND2-O 3.17Å; N135-A161 WeakPolarHBondContact ND2-CB 3.31Å |
| 136 | A | 87.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.5 | -32.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L104 A108 P126 H139 G140 L151 | L104-A136 HydrophobicContact CD2-CB 4.12Å; L104-A136 HydrophobicContact CG-CB 4.13Å; A108-A136 WeakPolarHBondContact CB-O 3.09Å; P126-A136 HydrophobicContact CB-CB 4.38Å; A136-H139 PolarHBondContact O-N 2.76Å; A136-G140 PolarHBondContact O-N 3.37Å; A136-L151 HydrophobicContact CB-CD1 4.34Å; A136-L151 HydrophobicContact CB-CD2 4.27Å |
| 137 | L | 88.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.3 | -33.9 | 178.8 | -176 | 62.6 | 0 | 0 | 0 | 112.9 | N135 H139 G140 V141 A148 L151 L158 V159 P169 | N135-L137 PolarHBondContact O-N 3.48Å; N135-L137 VanDerWaalsContact O-N 3.15Å; N135-L137 WeakPolarHBondContact OD1-CB 3.38Å; N135-L137 PolarHBondContact OD1-N 3.08Å; L137-H139 PolarHBondContact O-N 3.06Å; L137-G140 PolarHBondContact O-N 3.41Å; L137-V141 HydrophobicContact CD1-CG2 4.32Å; L137-V141 HydrophobicContact CG-CG2 4.49Å; L137-V141 WeakPolarHBondContact O-CG2 3.46Å; L137-V141 PolarHBondContact O-N 3.42Å; L137-A148 HydrophobicContact CD1-CB 3.86Å; L137-L151 HydrophobicContact CB-CD1 4.43Å; L137-L151 HydrophobicContact CD1-CB 4.07Å; L137-L151 HydrophobicContact CD1-CD1 4.27Å; L137-L158 HydrophobicContact CB-CB 4Å; L137-L158 HydrophobicContact CB-CD1 4.48Å; L137-L158 HydrophobicContact CD2-CB 3.65Å; L137-L158 HydrophobicContact CG-CB 4.46Å; L137-V159 HydrophobicContact CD2-CB 4.47Å; L137-V159 HydrophobicContact CD2-CG2 3.94Å; L137-P169 HydrophobicContact CB-CG 4.33Å; L137-P169 HydrophobicContact CD2-CB 4.01Å; L137-P169 HydrophobicContact CD2-CG 4Å; L137-P169 HydrophobicContact CG-CB 3.94Å; L137-P169 HydrophobicContact CG-CG 4.05Å |
| 138 | H | 87.1 | Confident | 84.2 | Confident | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.7 | -40.2 | 172.7 | -70.1 | 80 | 0 | 0 | 0 | 111.3 | R134 N135 A161 Q167 P169 Y172 | R134-H138 HydrophobicContact CB-CB 3.86Å; R134-H138 HydrophobicContact CG-CB 4.35Å; N135-H138 PolarHBondContact N-ND1 3.16Å; N135-H138 WeakPolarHBondContact O-CB 3.36Å; N135-H138 PolarHBondContact O-N 3.44Å; N135-H138 VanDerWaalsContact O-N 3.11Å; N135-H138 PolarHBondContact OD1-N 3.15Å; N135-H138 VanDerWaalsContact OD1-N 3.1Å; N135-H138 PolarHBondContact OD1-ND1 2.97Å; H138-A161 PolarHBondContact CE1-O 3.14Å; H138-Q167 PolarHBondContact NE2-O 3.37Å; H138-P169 WeakPolarHBondContact NE2-CD 3.16Å; H138-Y172 AromaticContact CD2-CD2 3.72Å; H138-Y172 AromaticContact CD2-CE2 3.57Å |
| 139 | H | 85.1 | Confident | 84.1 | Confident | 17 Ų | 17 | 21.9 Ų | 21.9 | 8% | 0.079 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -76.6 | -36.5 | 176.1 | -68.6 | -81.8 | 0 | 0 | 0 | 112 | F101 H105 A108 D130 N135 A136 L137 V141 V142 G143 | F101-H139 AromaticContact CE1-CE1 3.53Å; F101-H139 AromaticContact CE1-NE2 3.75Å; H105-H139 AromaticContact CD2-CD2 3.66Å; A108-H139 HydrophobicContact CB-CB 4.26Å; D130-H139 IonicContact OD2-CE1 2.8Å; D130-H139 IonicContact OD2-NE2 2.99Å; D130-H139 PolarHBondContact OD2-NE2 3.5Å; N135-H139 PolarHBondContact O-CD2 2.84Å; A136-H139 PolarHBondContact O-N 2.76Å; L137-H139 PolarHBondContact O-N 3.06Å; H139-V141 VanDerWaalsContact C-N 3.33Å; H139-V141 PolarHBondContact O-N 3.42Å; H139-V142 WeakPolarHBondContact O-CA 3.41Å; H139-V142 WeakPolarHBondContact O-CB 3.33Å; H139-V142 PolarHBondContact O-N 3.11Å; H139-G143 PolarHBondContact O-N 3.24Å |
| 140 | G | 83.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -35.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A136 L137 V142 G143 | A136-G140 PolarHBondContact O-N 3.37Å; L137-G140 PolarHBondContact O-N 3.41Å; G140-V142 PolarHBondContact O-N 3.06Å; G140-G143 PolarHBondContact O-N 3.36Å |
| 141 | V | 83.5 | Confident | 83.8 | Confident | 14 Ų | 14 | 19.2 Ų | 19.2 | 9% | 0.085 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.2 | -23.1 | 172.8 | 169.9 | 0 | 0 | 0 | 0 | 112.5 | L137 H139 A148 P169 A173 L185 | L137-V141 HydrophobicContact CD1-CG2 4.32Å; L137-V141 HydrophobicContact CG-CG2 4.49Å; L137-V141 WeakPolarHBondContact O-CG2 3.46Å; L137-V141 PolarHBondContact O-N 3.42Å; H139-V141 VanDerWaalsContact C-N 3.33Å; H139-V141 PolarHBondContact O-N 3.42Å; V141-A148 HydrophobicContact CG2-CB 4.16Å; V141-P169 HydrophobicContact CG2-CB 4.23Å; V141-A173 HydrophobicContact CG1-CB 3.82Å; V141-L185 HydrophobicContact CG2-CD1 3.8Å |
| 142 | V | 77.9 | Confident | 83.7 | Confident | 37 Ų | 37 | 14.7 Ų | 14.7 | 22% | 0.224 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -85.8 | -28.7 | 175.6 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | A57 H139 G140 Y172 | A57-V142 HydrophobicContact CB-CG1 4.2Å; H139-V142 WeakPolarHBondContact O-CA 3.41Å; H139-V142 WeakPolarHBondContact O-CB 3.33Å; H139-V142 PolarHBondContact O-N 3.11Å; G140-V142 PolarHBondContact O-N 3.06Å; V142-Y172 HydrophobicContact CG2-CD1 4.21Å |
| 143 | G | 74.3 | Confident | 83.6 | Confident | 23 Ų | 23 | 14.5 Ų | 14.5 | 24% | 0.237 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -77.2 | -95.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | H139 G140 | H139-G143 PolarHBondContact O-N 3.24Å; G140-G143 PolarHBondContact O-N 3.36Å |
| 144 | D | 78.7 | Confident | 83.5 | Confident | 5 Ų | 5 | 16.9 Ų | 16.9 | 3% | 0.027 | 10% | 0.1 | C | C | . | . | trans | -134.2 | 143.4 | -177.3 | -88 | -41.5 | 0 | 0 | 0 | 111.1 | E146 T147 A148 T249 K250 | D144-E146 VanDerWaalsContact C-N 3.33Å; D144-E146 PolarHBondContact O-N 3.27Å; D144-T147 VanDerWaalsContact O-CB 3.26Å; D144-T147 WeakPolarHBondContact O-CB 3.12Å; D144-T147 PolarHBondContact O-N 2.71Å; D144-A148 PolarHBondContact O-N 3.49Å; D144-T249 WeakPolarHBondContact OD2-CA 3.48Å; D144-T249 WeakPolarHBondContact OD2-CB 3.42Å; D144-T249 PolarHBondContact OD2-OG1 3.13Å; D144-K250 WeakPolarHBondContact OD1-CB 3.23Å; D144-K250 WeakPolarHBondContact OD1-CG 3.34Å; D144-K250 PolarHBondContact OD1-N 3.47Å; D144-K250 PolarHBondContact OD2-N 3.35Å | ||
| 145 | P | 79.8 | Confident | 83.3 | Confident | 28 Ų | 28 | 15.6 Ų | 15.6 | 18% | 0.182 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.2 | -36.1 | -174.4 | 22.8 | -29.9 | 0 | 0 | 0 | 113.5 | T147 A148 V149 A180 C181 | P145-T147 PolarHBondContact O-N 2.87Å; P145-A148 PolarHBondContact O-N 2.87Å; P145-V149 PolarHBondContact O-N 3.29Å; P145-V149 VanDerWaalsContact O-N 3.11Å; P145-A180 HydrophobicContact CB-CB 4.38Å; P145-A180 HydrophobicContact CG-CB 4.48Å; P145-C181 VanDerWaalsContact CA-SG 3.57Å; P145-C181 WeakPolarHBondContact CB-SG 3.14Å; P145-C181 PolarHBondContact O-SG 2.9Å |
| 146 | E | 80.7 | Confident | 83 | Confident | 13 Ų | 13 | 20.8 Ų | 20.8 | 6% | 0.061 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -54.8 | -40.4 | 172.9 | -68.5 | 67.6 | -155.1 | 0 | 0 | 111.2 | F113 D144 V149 V150 L268 | F113-E146 HydrophobicContact CD1-CB 3.84Å; F113-E146 HydrophobicContact CE1-CB 4.34Å; F113-E146 HydrophobicContact CG-CB 4.37Å; D144-E146 VanDerWaalsContact C-N 3.33Å; D144-E146 PolarHBondContact O-N 3.27Å; E146-V149 PolarHBondContact O-N 2.79Å; E146-V150 WeakPolarHBondContact O-CB 3.32Å; E146-V150 VanDerWaalsContact O-CG2 3.32Å; E146-V150 WeakPolarHBondContact O-CG2 3.49Å; E146-V150 PolarHBondContact O-N 3.28Å; E146-L268 HydrophobicContact CG-CD1 4.34Å |
| 147 | T | 84.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.9 | -39.1 | -178.9 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | A108 G111 F113 V116 D144 P145 L151 | A108-T147 HydrophobicContact CB-CG2 4.45Å; G111-T147 VanDerWaalsContact C-OG1 3.32Å; G111-T147 PolarHBondContact O-OG1 2.92Å; G111-T147 VanDerWaalsContact O-OG1 3.12Å; F113-T147 PolarHBondContact N-OG1 3.39Å; V116-T147 HydrophobicContact CB-CG2 4.47Å; V116-T147 HydrophobicContact CG2-CG2 3.77Å; D144-T147 VanDerWaalsContact O-CB 3.26Å; D144-T147 WeakPolarHBondContact O-CB 3.12Å; D144-T147 PolarHBondContact O-N 2.71Å; P145-T147 PolarHBondContact O-N 2.87Å; T147-L151 WeakPolarHBondContact O-CG 3.36Å; T147-L151 PolarHBondContact O-N 3.2Å |
| 148 | A | 84.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L137 V141 D144 P145 L151 C152 | L137-A148 HydrophobicContact CD1-CB 3.86Å; V141-A148 HydrophobicContact CG2-CB 4.16Å; D144-A148 PolarHBondContact O-N 3.49Å; P145-A148 PolarHBondContact O-N 2.87Å; A148-L151 PolarHBondContact O-N 3.4Å; A148-C152 PolarHBondContact O-N 2.75Å; A148-C152 PolarHBondContact O-SG 3.37Å; A148-C152 VanDerWaalsContact O-SG 3.39Å |
| 149 | V | 83.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.7 | -39.3 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | P145 E146 L151 C152 C153 F184 P269 Y398 | P145-V149 PolarHBondContact O-N 3.29Å; P145-V149 VanDerWaalsContact O-N 3.11Å; E146-V149 PolarHBondContact O-N 2.79Å; V149-L151 VanDerWaalsContact C-N 3.33Å; V149-L151 PolarHBondContact O-N 2.73Å; V149-C152 WeakPolarHBondContact O-CB 3.44Å; V149-C152 PolarHBondContact O-N 2.83Å; V149-C152 VanDerWaalsContact O-N 3.15Å; V149-C153 PolarHBondContact O-N 3.23Å; V149-C153 PolarHBondContact O-SG 2.88Å; V149-F184 HydrophobicContact CG1-CE1 4.39Å; V149-F184 HydrophobicContact CG1-CZ 4.48Å; V149-F184 HydrophobicContact CG2-CD1 4.09Å; V149-F184 HydrophobicContact CG2-CE1 4.02Å; V149-P269 HydrophobicContact CG1-CB 3.99Å; V149-P269 HydrophobicContact CG1-CG 4.08Å; V149-Y398 HydrophobicContact CB-CE1 4.46Å; V149-Y398 HydrophobicContact CB-CE2 4.47Å; V149-Y398 HydrophobicContact CG1-CD1 4.12Å; V149-Y398 HydrophobicContact CG1-CE1 4.12Å; V149-Y398 HydrophobicContact CG2-CD1 4.07Å; V149-Y398 HydrophobicContact CG2-CD2 3.59Å; V149-Y398 HydrophobicContact CG2-CE1 4.32Å; V149-Y398 HydrophobicContact CG2-CE2 3.85Å; V149-Y398 HydrophobicContact CG2-CG 3.7Å |
| 150 | V | 84 | Confident | 82.4 | Confident | 14 Ų | 14 | 30.1 Ų | 30.1 | 9% | 0.085 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 173.7 | 168 | 0 | 0 | 0 | 0 | 111.2 | F113 V116 E117 E146 C153 V154 P269 | F113-V150 HydrophobicContact CB-CG2 4.4Å; V116-V150 HydrophobicContact CG1-CG1 4.2Å; E117-V150 HydrophobicContact CB-CG1 4.45Å; E146-V150 WeakPolarHBondContact O-CB 3.32Å; E146-V150 VanDerWaalsContact O-CG2 3.32Å; E146-V150 WeakPolarHBondContact O-CG2 3.49Å; E146-V150 PolarHBondContact O-N 3.28Å; V150-C153 WeakPolarHBondContact O-CB 3.38Å; V150-C153 PolarHBondContact O-N 3.42Å; V150-V154 WeakPolarHBondContact O-CG2 3.31Å; V150-V154 PolarHBondContact O-N 3.4Å; V150-V154 VanDerWaalsContact O-N 3.15Å; V150-P269 HydrophobicContact CG2-CG 4.26Å |
| 151 | L | 85.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | 172.7 | -73.2 | 168.4 | 0 | 0 | 0 | 112.4 | A108 V116 P126 A136 L137 T147 A148 V149 V154 N155 L158 | A108-L151 HydrophobicContact CB-CD1 4.28Å; V116-L151 HydrophobicContact CG1-CD2 3.64Å; V116-L151 HydrophobicContact CG1-CG 3.97Å; P126-L151 HydrophobicContact CB-CD2 4.14Å; A136-L151 HydrophobicContact CB-CD1 4.34Å; A136-L151 HydrophobicContact CB-CD2 4.27Å; L137-L151 HydrophobicContact CB-CD1 4.43Å; L137-L151 HydrophobicContact CD1-CB 4.07Å; L137-L151 HydrophobicContact CD1-CD1 4.27Å; T147-L151 WeakPolarHBondContact O-CG 3.36Å; T147-L151 PolarHBondContact O-N 3.2Å; A148-L151 PolarHBondContact O-N 3.4Å; V149-L151 VanDerWaalsContact C-N 3.33Å; V149-L151 PolarHBondContact O-N 2.73Å; L151-V154 PolarHBondContact O-N 3.38Å; L151-N155 PolarHBondContact O-N 3.24Å; L151-L158 HydrophobicContact CB-CD1 4.28Å |
| 152 | C | 84.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.3 | -34.3 | 173.6 | -70 | 0 | 0 | 0 | 0 | 113.3 | A148 V149 V154 N155 K156 F184 L188 | A148-C152 PolarHBondContact O-N 2.75Å; A148-C152 PolarHBondContact O-SG 3.37Å; A148-C152 VanDerWaalsContact O-SG 3.39Å; V149-C152 WeakPolarHBondContact O-CB 3.44Å; V149-C152 PolarHBondContact O-N 2.83Å; V149-C152 VanDerWaalsContact O-N 3.15Å; C152-V154 VanDerWaalsContact C-N 3.3Å; C152-V154 PolarHBondContact O-N 2.77Å; C152-N155 CarbonylContact O-C 3.54Å; C152-N155 PolarHBondContact O-N 2.91Å; C152-K156 PolarHBondContact O-N 2.75Å; C152-F184 HydrophobicContact CB-CE1 4.3Å; C152-L188 HydrophobicContact CB-CD2 3.98Å |
| 153 | C | 81.6 | Confident | 82.9 | Confident | 57 Ų | 57 | 32.4 Ų | 32.4 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.9 | -33.4 | 173.2 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | V149 V150 | V149-C153 PolarHBondContact O-N 3.23Å; V149-C153 PolarHBondContact O-SG 2.88Å; V150-C153 WeakPolarHBondContact O-CB 3.38Å; V150-C153 PolarHBondContact O-N 3.42Å |
| 154 | V | 82.1 | Confident | 83.5 | Confident | 77 Ų | 77 | 35 Ų | 35 | 47% | 0.467 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -74.4 | -47.4 | 174.1 | 176 | 0 | 0 | 0 | 0 | 111 | C120 P126 V150 L151 C152 | C120-V154 HydrophobicContact CB-CG1 4.48Å; C120-V154 HydrophobicContact CB-CG2 4.2Å; P126-V154 HydrophobicContact CG-CG1 4.27Å; V150-V154 WeakPolarHBondContact O-CG2 3.31Å; V150-V154 PolarHBondContact O-N 3.4Å; V150-V154 VanDerWaalsContact O-N 3.15Å; L151-V154 PolarHBondContact O-N 3.38Å; C152-V154 VanDerWaalsContact C-N 3.3Å; C152-V154 PolarHBondContact O-N 2.77Å |
| 155 | N | 83.6 | Confident | 83.8 | Confident | 34 Ų | 34 | 41.6 Ų | 41.6 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | trans | -152.6 | 102.9 | 179.3 | -175.7 | -1.3 | 0 | 0 | 0 | 112.9 | E127 L151 C152 K157 L158 | E127-N155 PolarHBondContact OE1-ND2 3.44Å; L151-N155 PolarHBondContact O-N 3.24Å; C152-N155 CarbonylContact O-C 3.54Å; C152-N155 PolarHBondContact O-N 2.91Å; N155-K157 PolarHBondContact O-N 3.27Å; N155-K157 VanDerWaalsContact O-N 3.09Å; N155-K157 VanDerWaalsContact OD1-CB 3.31Å; N155-K157 WeakPolarHBondContact OD1-CB 3.3Å; N155-K157 PolarHBondContact OD1-N 3.09Å; N155-L158 HydrophobicContact CB-CD1 4.09Å; N155-L158 HydrophobicContact CB-CG 4.11Å; N155-L158 WeakPolarHBondContact O-CD1 3.48Å; N155-L158 VanDerWaalsContact O-CG 3.31Å; N155-L158 WeakPolarHBondContact O-CG 3.48Å; N155-L158 PolarHBondContact O-N 2.61Å | ||
| 156 | K | 83.1 | Confident | 83.9 | Confident | 113 Ų | 113 | 48.7 Ų | 48.7 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -61.9 | -14.1 | 177.5 | 61.3 | 176.9 | 178.2 | 174.5 | 0 | 115.6 | C152 L158 L188 V192 | C152-K156 PolarHBondContact O-N 2.75Å; K156-L158 VanDerWaalsContact C-N 3.32Å; K156-L158 PolarHBondContact O-N 3.18Å; K156-L188 HydrophobicContact CB-CD1 4.33Å; K156-L188 HydrophobicContact CB-CD2 4.44Å; K156-V192 HydrophobicContact CB-CG2 4.46Å; K156-V192 HydrophobicContact CD-CG2 4.25Å; K156-V192 HydrophobicContact CG-CG2 4.41Å |
| 157 | K | 82.5 | Confident | 84.1 | Confident | 142 Ų | 142 | 51.7 Ų | 51.7 | 62% | 0.617 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -74.5 | -20 | 178.2 | -62.6 | -178.7 | 177.8 | 179.2 | 0 | 113.7 | N155 V159 I160 | N155-K157 PolarHBondContact O-N 3.27Å; N155-K157 VanDerWaalsContact O-N 3.09Å; N155-K157 VanDerWaalsContact OD1-CB 3.31Å; N155-K157 WeakPolarHBondContact OD1-CB 3.3Å; N155-K157 PolarHBondContact OD1-N 3.09Å; K157-V159 PolarHBondContact O-N 3.4Å; K157-I160 PolarHBondContact O-N 3.06Å; K157-I160 VanDerWaalsContact O-N 3.17Å |
| 158 | L | 82.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -57.6 | -25 | -176 | -66.9 | 169.1 | 0 | 0 | 0 | 113.8 | P126 E127 N135 L137 L151 N155 K156 I160 | P126-L158 HydrophobicContact CB-CD1 3.86Å; P126-L158 HydrophobicContact CB-CD2 4.25Å; P126-L158 HydrophobicContact CG-CD1 4.18Å; P126-L158 WeakPolarHBondContact O-CD2 3.36Å; E127-L158 HydrophobicContact CB-CD2 4.49Å; E127-L158 HydrophobicContact CG-CD2 3.82Å; N135-L158 PolarHBondContact ND2-O 3.17Å; L137-L158 HydrophobicContact CB-CB 4Å; L137-L158 HydrophobicContact CB-CD1 4.48Å; L137-L158 HydrophobicContact CD2-CB 3.65Å; L137-L158 HydrophobicContact CG-CB 4.46Å; L151-L158 HydrophobicContact CB-CD1 4.28Å; N155-L158 HydrophobicContact CB-CD1 4.09Å; N155-L158 HydrophobicContact CB-CG 4.11Å; N155-L158 WeakPolarHBondContact O-CD1 3.48Å; N155-L158 VanDerWaalsContact O-CG 3.31Å; N155-L158 WeakPolarHBondContact O-CG 3.48Å; N155-L158 PolarHBondContact O-N 2.61Å; K156-L158 VanDerWaalsContact C-N 3.32Å; K156-L158 PolarHBondContact O-N 3.18Å; L158-I160 VanDerWaalsContact C-N 3.25Å; L158-I160 PolarHBondContact O-N 2.81Å |
| 159 | V | 84.7 | Confident | 84.2 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -66.7 | -22.8 | -178 | -168.2 | 0 | 0 | 0 | 0 | 112.9 | L137 K157 V170 L185 L188 Y189 | L137-V159 HydrophobicContact CD2-CB 4.47Å; L137-V159 HydrophobicContact CD2-CG2 3.94Å; K157-V159 PolarHBondContact O-N 3.4Å; V159-V170 HydrophobicContact CG1-CG2 3.62Å; V159-L185 HydrophobicContact CG1-CD2 4.39Å; V159-L185 HydrophobicContact CG2-CD2 4.1Å; V159-L188 HydrophobicContact CG2-CD2 3.98Å; V159-L188 HydrophobicContact CG2-CG 4.38Å; V159-Y189 HydrophobicContact CG1-CD2 4.21Å |
| 160 | I | 85.7 | Confident | 84.2 | Confident | 70 Ų | 70 | 53 Ų | 53 | 36% | 0.359 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -93.2 | -18.9 | -174.1 | -60.9 | 177.2 | 0 | 0 | 0 | 112.5 | K157 L158 Y189 V192 I193 | K157-I160 PolarHBondContact O-N 3.06Å; K157-I160 VanDerWaalsContact O-N 3.17Å; L158-I160 VanDerWaalsContact C-N 3.25Å; L158-I160 PolarHBondContact O-N 2.81Å; I160-Y189 HydrophobicContact CG1-CD2 4.03Å; I160-Y189 HydrophobicContact CG1-CE2 4.19Å; I160-V192 HydrophobicContact CD1-CB 3.98Å; I160-V192 HydrophobicContact CD1-CG1 3.43Å; I160-V192 VanDerWaalsContact CD1-CG1 3.43Å; I160-I193 HydrophobicContact CD1-CG1 4.36Å |
| 161 | A | 84.2 | Confident | 84.2 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | trans | -61.7 | 139.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N135 H138 T168 P169 | N135-A161 WeakPolarHBondContact ND2-CB 3.31Å; H138-A161 PolarHBondContact CE1-O 3.14Å; A161-T168 WeakPolarHBondContact O-CA 3.36Å; A161-T168 WeakPolarHBondContact O-CB 3.24Å; A161-P169 WeakPolarHBondContact O-CD 3.42Å | ||
| 162 | A | 85.8 | Confident | 84 | Confident | 51 Ų | 51 | 58 Ų | 58 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | trans | -116.6 | 142 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q167 T168 | A162-Q167 WeakPolarHBondContact CA-O 3.46Å; A162-T168 HydrophobicContact CB-CG2 4.04Å | ||
| 163 | D | 86.7 | Confident | 83.8 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.043 | 30% | 0.301 | C | S | . | . | trans | -77.6 | -178.8 | 176.9 | 76.2 | 2.5 | 0 | 0 | 0 | 113 | R134 K165 F166 Q167 Y172 | R134-D163 HydrophobicContact CG-CB 3.81Å; R134-D163 IonicContact NE-OD2 2.64Å; D163-K165 PolarHBondContact O-N 2.68Å; D163-K165 VanDerWaalsContact OD1-C 3.3Å; D163-K165 VanDerWaalsContact OD1-CA 3.28Å; D163-K165 WeakPolarHBondContact OD1-CA 3.42Å; D163-K165 WeakPolarHBondContact OD1-CB 3.25Å; D163-K165 PolarHBondContact OD1-N 3.48Å; D163-F166 WeakPolarHBondContact O-CA 3.21Å; D163-F166 PolarHBondContact O-N 2.7Å; D163-F166 PolarHBondContact OD1-N 3.44Å; D163-Q167 PolarHBondContact N-O 3.1Å; D163-Q167 WeakPolarHBondContact OD1-CB 3.46Å; D163-Q167 PolarHBondContact OD1-N 3.27Å; D163-Y172 WeakPolarHBondContact OD2-CE2 3.34Å; D163-Y172 PolarHBondContact OD2-OH 3.14Å | ||
| 164 | S | 86.6 | Confident | 83.6 | Confident | 79 Ų | 79 | 60.3 Ų | 60.3 | 55% | 0.552 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -9.9 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 115.3 | N132 | N132-S164 WeakPolarHBondContact O-CB 3.48Å; N132-S164 PolarHBondContact O-N 2.97Å; N132-S164 PolarHBondContact O-OG 2.97Å |
| 165 | K | 84 | Confident | 83.1 | Confident | 142 Ų | 142 | 60.4 Ų | 60.4 | 62% | 0.617 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 15.2 | 173.2 | -60.1 | -176.6 | 179 | -176.3 | 0 | 112.4 | D163 Q167 | D163-K165 PolarHBondContact O-N 2.68Å; D163-K165 VanDerWaalsContact OD1-C 3.3Å; D163-K165 VanDerWaalsContact OD1-CA 3.28Å; D163-K165 WeakPolarHBondContact OD1-CA 3.42Å; D163-K165 WeakPolarHBondContact OD1-CB 3.25Å; D163-K165 PolarHBondContact OD1-N 3.48Å; K165-Q167 HydrophobicContact CB-CG 4.15Å; K165-Q167 PolarHBondContact O-N 3.11Å; K165-Q167 PolarHBondContact O-NE2 2.89Å |
| 166 | F | 82.2 | Confident | 82.2 | Confident | 178 Ų | 178 | 64.4 Ų | 64.4 | 78% | 0.781 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 57.9 | 21.3 | -175.4 | -60 | -84 | 0 | 0 | 0 | 114.6 | D163 | D163-F166 WeakPolarHBondContact O-CA 3.21Å; D163-F166 PolarHBondContact O-N 2.7Å; D163-F166 PolarHBondContact OD1-N 3.44Å |
| 167 | Q | 85.3 | Confident | 81.2 | Confident | 75 Ų | 75 | 64 Ų | 64 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | trans | -88.8 | 129.8 | 176 | -57.6 | -58.6 | -61.7 | 0 | 0 | 109.7 | H138 A162 D163 K165 H171 Y172 | H138-Q167 PolarHBondContact NE2-O 3.37Å; A162-Q167 WeakPolarHBondContact CA-O 3.46Å; D163-Q167 PolarHBondContact N-O 3.1Å; D163-Q167 WeakPolarHBondContact OD1-CB 3.46Å; D163-Q167 PolarHBondContact OD1-N 3.27Å; K165-Q167 HydrophobicContact CB-CG 4.15Å; K165-Q167 PolarHBondContact O-N 3.11Å; K165-Q167 PolarHBondContact O-NE2 2.89Å; Q167-H171 HydrophobicContact CB-CB 4.24Å; Q167-Y172 HydrophobicContact CB-CD2 4.17Å; Q167-Y172 HydrophobicContact CB-CE2 3.64Å | ||
| 168 | T | 86.5 | Confident | 80.3 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | trans | -94 | 167.6 | 173.2 | 72.4 | 0 | 0 | 0 | 0 | 111.3 | A161 A162 V170 H171 Y172 | A161-T168 WeakPolarHBondContact O-CA 3.36Å; A161-T168 WeakPolarHBondContact O-CB 3.24Å; A162-T168 HydrophobicContact CB-CG2 4.04Å; T168-V170 PolarHBondContact O-N 3.43Å; T168-V170 VanDerWaalsContact O-N 3.09Å; T168-H171 PolarHBondContact N-ND1 3.24Å; T168-H171 WeakPolarHBondContact O-CA 3.47Å; T168-H171 VanDerWaalsContact O-CB 3.31Å; T168-H171 WeakPolarHBondContact O-CB 3.44Å; T168-H171 PolarHBondContact O-N 2.96Å; T168-H171 PolarHBondContact OG1-ND1 2.91Å; T168-Y172 PolarHBondContact O-N 3.34Å | ||
| 169 | P | 83.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.3 | -29.7 | 176.1 | -27.9 | 36 | 0 | 0 | 0 | 114.1 | L137 H138 V141 A161 H171 Y172 A173 | L137-P169 HydrophobicContact CB-CG 4.33Å; L137-P169 HydrophobicContact CD2-CB 4.01Å; L137-P169 HydrophobicContact CD2-CG 4Å; L137-P169 HydrophobicContact CG-CB 3.94Å; L137-P169 HydrophobicContact CG-CG 4.05Å; H138-P169 WeakPolarHBondContact NE2-CD 3.16Å; V141-P169 HydrophobicContact CG2-CB 4.23Å; A161-P169 WeakPolarHBondContact O-CD 3.42Å; P169-H171 VanDerWaalsContact C-N 3.29Å; P169-H171 PolarHBondContact O-N 3.14Å; P169-Y172 PolarHBondContact O-N 2.84Å; P169-A173 PolarHBondContact O-N 3.04Å |
| 170 | V | 83.1 | Confident | 78.6 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 11% | 0.109 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 173.9 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | V159 T168 A173 L185 Y189 | V159-V170 HydrophobicContact CG1-CG2 3.62Å; T168-V170 PolarHBondContact O-N 3.43Å; T168-V170 VanDerWaalsContact O-N 3.09Å; V170-A173 PolarHBondContact O-N 3.14Å; V170-L185 HydrophobicContact CG2-CB 4.36Å; V170-Y189 HydrophobicContact CG2-CD2 4.21Å; V170-Y189 HydrophobicContact CG2-CG 4.26Å |
| 171 | H | 84 | Confident | 78.1 | Confident | 80 Ų | 80 | 62.2 Ų | 62.2 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.6 | -37.9 | 175.5 | -63.2 | 78.5 | 0 | 0 | 0 | 111.8 | Q167 T168 P169 A173 L174 | Q167-H171 HydrophobicContact CB-CB 4.24Å; T168-H171 PolarHBondContact N-ND1 3.24Å; T168-H171 WeakPolarHBondContact O-CA 3.47Å; T168-H171 VanDerWaalsContact O-CB 3.31Å; T168-H171 WeakPolarHBondContact O-CB 3.44Å; T168-H171 PolarHBondContact O-N 2.96Å; T168-H171 PolarHBondContact OG1-ND1 2.91Å; P169-H171 VanDerWaalsContact C-N 3.29Å; P169-H171 PolarHBondContact O-N 3.14Å; H171-A173 PolarHBondContact O-N 3.41Å; H171-L174 WeakPolarHBondContact O-CB 3.44Å; H171-L174 PolarHBondContact O-N 2.88Å; H171-L174 VanDerWaalsContact O-N 3.1Å |
| 172 | Y | 81.1 | Confident | 77.8 | Confident | 39 Ų | 39 | 63 Ų | 63 | 15% | 0.153 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -24.2 | 174.2 | -81.2 | -103.8 | 0 | 0 | 0 | 112.9 | R134 H138 V142 D163 Q167 T168 P169 R178 | R134-Y172 PolarHBondContact NE-OH 3.4Å; R134-Y172 PolarHBondContact NH2-OH 3.34Å; R134-Y172 VanDerWaalsContact NH2-OH 3.07Å; H138-Y172 AromaticContact CD2-CD2 3.72Å; H138-Y172 AromaticContact CD2-CE2 3.57Å; V142-Y172 HydrophobicContact CG2-CD1 4.21Å; D163-Y172 WeakPolarHBondContact OD2-CE2 3.34Å; D163-Y172 PolarHBondContact OD2-OH 3.14Å; Q167-Y172 HydrophobicContact CB-CD2 4.17Å; Q167-Y172 HydrophobicContact CB-CE2 3.64Å; T168-Y172 PolarHBondContact O-N 3.34Å; P169-Y172 PolarHBondContact O-N 2.84Å; Y172-R178 PolarHBondContact O-NH1 2.76Å |
| 173 | A | 80.2 | Confident | 77.3 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -3.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | V141 P169 V170 H171 H182 L185 | V141-A173 HydrophobicContact CG1-CB 3.82Å; P169-A173 PolarHBondContact O-N 3.04Å; V170-A173 PolarHBondContact O-N 3.14Å; H171-A173 PolarHBondContact O-N 3.41Å; A173-H182 HydrophobicContact CB-CB 4.22Å; A173-L185 HydrophobicContact CB-CD1 4.46Å |
| 174 | L | 78.2 | Confident | 77 | Confident | 107 Ų | 107 | 66 Ų | 66 | 56% | 0.56 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -20.6 | 176.6 | -75 | 168.8 | 0 | 0 | 0 | 113.6 | H171 H182 | H171-L174 WeakPolarHBondContact O-CB 3.44Å; H171-L174 PolarHBondContact O-N 2.88Å; H171-L174 VanDerWaalsContact O-N 3.1Å; L174-H182 WeakPolarHBondContact CD2-CE1 3.22Å |
| 175 | D | 70.6 | Confident | 76.8 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -60.8 | 130 | 175.7 | -95.4 | -15.2 | 0 | 0 | 0 | 109.4 | T177 R178 | D175-T177 PolarHBondContact O-N 3.12Å; D175-R178 HydrophobicContact CB-CG 4.35Å; D175-R178 PolarHBondContact O-N 3.13Å; D175-R178 IonicContact OD2-CZ 2.79Å; D175-R178 IonicContact OD2-NH1 2.78Å; D175-R178 PolarHBondContact OD2-NH1 2.91Å; D175-R178 IonicContact OD2-NH2 2.71Å; D175-R178 PolarHBondContact OD2-NH2 3.15Å |
| 176 | P | 64.6 | Low | 76.6 | Confident | 117 Ų | 117 | 56.7 Ų | 56.7 | 76% | 0.76 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -10.6 | -171.6 | 23.7 | -33.9 | 0 | 0 | 0 | 114.3 | ||
| 177 | T | 63 | Low | 76.3 | Confident | 105 Ų | 105 | 49.9 Ų | 49.9 | 64% | 0.644 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -6.6 | 172.3 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | D175 | D175-T177 PolarHBondContact O-N 3.12Š|
| 178 | R | 63.4 | Low | 76.1 | Confident | 72 Ų | 72 | 46.5 Ų | 46.5 | 27% | 0.272 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -127.8 | 16.5 | -172.2 | -48.5 | -163.2 | -161.2 | 92.6 | 21.4 | 114.6 | Y172 D175 A180 | Y172-R178 PolarHBondContact O-NH1 2.76Å; D175-R178 HydrophobicContact CB-CG 4.35Å; D175-R178 PolarHBondContact O-N 3.13Å; D175-R178 IonicContact OD2-CZ 2.79Å; D175-R178 IonicContact OD2-NH1 2.78Å; D175-R178 PolarHBondContact OD2-NH1 2.91Å; D175-R178 IonicContact OD2-NH2 2.71Å; D175-R178 PolarHBondContact OD2-NH2 3.15Å; R178-A180 VanDerWaalsContact C-N 3.32Å; R178-A180 PolarHBondContact O-N 3.22Å |
| 179 | S | 63.6 | Low | 75.8 | Confident | 71 Ų | 71 | 49.3 Ų | 49.3 | 50% | 0.497 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -64.6 | -21.2 | -169.1 | 55.2 | 0 | 0 | 0 | 0 | 116.7 | C181 H182 | S179-C181 PolarHBondContact O-N 3.28Å; S179-H182 VanDerWaalsContact O-CB 3.27Å; S179-H182 WeakPolarHBondContact O-CB 3.19Å; S179-H182 PolarHBondContact O-N 2.82Å |
| 180 | A | 68.5 | Low | 75.5 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 24% | 0.24 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -60.5 | -21.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | P145 R178 D397 | P145-A180 HydrophobicContact CB-CB 4.38Å; P145-A180 HydrophobicContact CG-CB 4.48Å; R178-A180 VanDerWaalsContact C-N 3.32Å; R178-A180 PolarHBondContact O-N 3.22Å; A180-D397 WeakPolarHBondContact CA-OD1 3.41Å |
| 181 | C | 74.9 | Confident | 75.1 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -105.8 | -3.9 | 173.9 | -82.9 | 0 | 0 | 0 | 0 | 113.9 | P145 S179 K183 F184 L185 | P145-C181 VanDerWaalsContact CA-SG 3.57Å; P145-C181 WeakPolarHBondContact CB-SG 3.14Å; P145-C181 PolarHBondContact O-SG 2.9Å; S179-C181 PolarHBondContact O-N 3.28Å; C181-K183 PolarHBondContact O-N 2.77Å; C181-F184 PolarHBondContact O-N 2.94Å; C181-L185 HydrophobicContact CB-CD1 3.93Å; C181-L185 HydrophobicContact CB-CG 4.26Å; C181-L185 WeakPolarHBondContact O-CB 2.76Å; C181-L185 VanDerWaalsContact O-CG 3.31Å; C181-L185 WeakPolarHBondContact O-CG 3.36Å; C181-L185 PolarHBondContact O-N 3.25Å |
| 182 | H | 77.1 | Confident | 74.7 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | -170 | 179.4 | 73.9 | 0 | 0 | 0 | 112.5 | A173 L174 S179 L185 A186 | A173-H182 HydrophobicContact CB-CB 4.22Å; L174-H182 WeakPolarHBondContact CD2-CE1 3.22Å; S179-H182 VanDerWaalsContact O-CB 3.27Å; S179-H182 WeakPolarHBondContact O-CB 3.19Å; S179-H182 PolarHBondContact O-N 2.82Å; H182-L185 PolarHBondContact O-N 2.9Å; H182-A186 VanDerWaalsContact O-CB 3.25Å; H182-A186 WeakPolarHBondContact O-CB 3.33Å; H182-A186 PolarHBondContact O-N 3.29Å |
| 183 | K | 76.6 | Confident | 74.4 | Confident | 120 Ų | 120 | 53.3 Ų | 53.3 | 52% | 0.522 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 179.8 | -64 | 179.4 | -166.9 | 142.1 | 0 | 112.5 | C181 A186 A187 D397 | C181-K183 PolarHBondContact O-N 2.77Å; K183-A186 PolarHBondContact O-N 2.88Å; K183-A187 WeakPolarHBondContact O-CB 3.35Å; K183-A187 PolarHBondContact O-N 3.41Å; K183-D397 WeakPolarHBondContact CD-OD2 3.4Å; K183-D397 WeakPolarHBondContact CE-OD2 3.22Å; K183-D397 IonicContact NZ-OD2 2.94Å; K183-D397 PolarHBondContact NZ-OD2 3.36Å |
| 184 | F | 80 | Confident | 73.7 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 178.2 | 172.5 | -99.6 | 0 | 0 | 0 | 111.5 | V149 C152 C181 A186 A187 L188 P215 L216 | V149-F184 HydrophobicContact CG1-CE1 4.39Å; V149-F184 HydrophobicContact CG1-CZ 4.48Å; V149-F184 HydrophobicContact CG2-CD1 4.09Å; V149-F184 HydrophobicContact CG2-CE1 4.02Å; C152-F184 HydrophobicContact CB-CE1 4.3Å; C181-F184 PolarHBondContact O-N 2.94Å; F184-A186 VanDerWaalsContact C-N 3.35Å; F184-A186 PolarHBondContact O-N 3.46Å; F184-A187 PolarHBondContact O-N 3.37Å; F184-L188 HydrophobicContact CE1-CD2 4.07Å; F184-L188 HydrophobicContact CZ-CD2 4.12Å; F184-L188 VanDerWaalsContact O-CB 3.28Å; F184-L188 WeakPolarHBondContact O-CB 3.41Å; F184-L188 PolarHBondContact O-N 3.46Å; F184-P215 HydrophobicContact CD2-CG 4.4Å; F184-P215 HydrophobicContact CE2-CB 3.89Å; F184-P215 HydrophobicContact CE2-CG 4Å; F184-P215 HydrophobicContact CZ-CB 4.42Å; F184-L216 HydrophobicContact CZ-CD2 4.43Å |
| 185 | L | 82.2 | Confident | 73 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.7 | -34.8 | 177.8 | -69.2 | 174.1 | 0 | 0 | 0 | 112.3 | V141 V159 V170 A173 C181 H182 Y189 | V141-L185 HydrophobicContact CG2-CD1 3.8Å; V159-L185 HydrophobicContact CG1-CD2 4.39Å; V159-L185 HydrophobicContact CG2-CD2 4.1Å; V170-L185 HydrophobicContact CG2-CB 4.36Å; A173-L185 HydrophobicContact CB-CD1 4.46Å; C181-L185 HydrophobicContact CB-CD1 3.93Å; C181-L185 HydrophobicContact CB-CG 4.26Å; C181-L185 WeakPolarHBondContact O-CB 2.76Å; C181-L185 VanDerWaalsContact O-CG 3.31Å; C181-L185 WeakPolarHBondContact O-CG 3.36Å; C181-L185 PolarHBondContact O-N 3.25Å; H182-L185 PolarHBondContact O-N 2.9Å; L185-Y189 WeakPolarHBondContact O-CB 3.44Å; L185-Y189 PolarHBondContact O-N 3.37Å |
| 186 | A | 80.3 | Confident | 72.5 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.1 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | H182 K183 F184 Y189 H190 | H182-A186 VanDerWaalsContact O-CB 3.25Å; H182-A186 WeakPolarHBondContact O-CB 3.33Å; H182-A186 PolarHBondContact O-N 3.29Å; K183-A186 PolarHBondContact O-N 2.88Å; F184-A186 VanDerWaalsContact C-N 3.35Å; F184-A186 PolarHBondContact O-N 3.46Å; A186-Y189 WeakPolarHBondContact O-CB 3.48Å; A186-Y189 PolarHBondContact O-N 2.98Å; A186-H190 PolarHBondContact O-CD2 2.94Å; A186-H190 PolarHBondContact O-N 3.12Å |
| 187 | A | 76.3 | Confident | 72.1 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K183 F184 Y189 H190 D191 T212 | K183-A187 WeakPolarHBondContact O-CB 3.35Å; K183-A187 PolarHBondContact O-N 3.41Å; F184-A187 PolarHBondContact O-N 3.37Å; A187-Y189 VanDerWaalsContact C-N 3.33Å; A187-Y189 PolarHBondContact O-N 2.73Å; A187-H190 PolarHBondContact O-N 3.49Å; A187-D191 PolarHBondContact O-N 3.4Å; A187-T212 HydrophobicContact CB-CG2 4.32Å |
| 188 | L | 80.3 | Confident | 71.1 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -35.6 | 177 | -171.4 | 60.5 | 0 | 0 | 0 | 112.5 | C152 K156 V159 F184 V192 T212 L216 | C152-L188 HydrophobicContact CB-CD2 3.98Å; K156-L188 HydrophobicContact CB-CD1 4.33Å; K156-L188 HydrophobicContact CB-CD2 4.44Å; V159-L188 HydrophobicContact CG2-CD2 3.98Å; V159-L188 HydrophobicContact CG2-CG 4.38Å; F184-L188 HydrophobicContact CE1-CD2 4.07Å; F184-L188 HydrophobicContact CZ-CD2 4.12Å; F184-L188 VanDerWaalsContact O-CB 3.28Å; F184-L188 WeakPolarHBondContact O-CB 3.41Å; F184-L188 PolarHBondContact O-N 3.46Å; L188-V192 HydrophobicContact CD1-CG2 4.22Å; L188-V192 HydrophobicContact CG-CG2 4.47Å; L188-V192 WeakPolarHBondContact O-CB 3.4Å; L188-V192 VanDerWaalsContact O-CG2 3.25Å; L188-V192 WeakPolarHBondContact O-CG2 3.4Å; L188-V192 PolarHBondContact O-N 3.48Å; L188-T212 HydrophobicContact CD1-CG2 4.45Å; L188-L216 HydrophobicContact CD1-CD1 4.43Å |
| 189 | Y | 80.4 | Confident | 70 | Confident | 69 Ų | 69 | 62 Ų | 62 | 27% | 0.271 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 172.9 | -179.2 | -100.8 | 0 | 0 | 0 | 111.5 | V159 I160 V170 L185 A186 A187 I193 | V159-Y189 HydrophobicContact CG1-CD2 4.21Å; I160-Y189 HydrophobicContact CG1-CD2 4.03Å; I160-Y189 HydrophobicContact CG1-CE2 4.19Å; V170-Y189 HydrophobicContact CG2-CD2 4.21Å; V170-Y189 HydrophobicContact CG2-CG 4.26Å; L185-Y189 WeakPolarHBondContact O-CB 3.44Å; L185-Y189 PolarHBondContact O-N 3.37Å; A186-Y189 WeakPolarHBondContact O-CB 3.48Å; A186-Y189 PolarHBondContact O-N 2.98Å; A187-Y189 VanDerWaalsContact C-N 3.33Å; A187-Y189 PolarHBondContact O-N 2.73Å; Y189-I193 HydrophobicContact CD1-CD1 3.76Å; Y189-I193 HydrophobicContact CD2-CD1 4.24Å; Y189-I193 HydrophobicContact CE1-CD1 3.34Å; Y189-I193 HydrophobicContact CE2-CD1 3.87Å; Y189-I193 HydrophobicContact CG-CD1 4.19Å; Y189-I193 WeakPolarHBondContact O-CB 3.33Å; Y189-I193 VanDerWaalsContact O-CG1 3.28Å; Y189-I193 WeakPolarHBondContact O-CG1 3.18Å; Y189-I193 PolarHBondContact O-N 2.93Å |
| 190 | H | 77.5 | Confident | 68.6 | Low | 128 Ų | 128 | 66.8 Ų | 66.8 | 59% | 0.593 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.8 | -46.8 | 174.4 | -79.2 | -68.6 | 0 | 0 | 0 | 112.7 | A186 A187 V192 I193 K194 | A186-H190 PolarHBondContact O-CD2 2.94Å; A186-H190 PolarHBondContact O-N 3.12Å; A187-H190 PolarHBondContact O-N 3.49Å; H190-V192 PolarHBondContact O-N 2.68Å; H190-I193 PolarHBondContact O-N 3.41Å; H190-K194 WeakPolarHBondContact O-CB 3.43Å; H190-K194 PolarHBondContact O-N 2.87Å |
| 191 | D | 74 | Confident | 67.1 | Low | 38 Ų | 38 | 72.1 Ų | 72.1 | 20% | 0.203 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 178.4 | -86.2 | 4.8 | 0 | 0 | 0 | 112.1 | A187 K194 S195 T212 | A187-D191 PolarHBondContact O-N 3.4Å; D191-K194 PolarHBondContact O-N 3.36Å; D191-S195 WeakPolarHBondContact O-CB 3.43Å; D191-S195 PolarHBondContact O-N 3.08Å; D191-S195 PolarHBondContact O-OG 3.04Å; D191-T212 WeakPolarHBondContact OD2-CB 3.35Å; D191-T212 WeakPolarHBondContact OD2-CG2 3.39Å; D191-T212 PolarHBondContact OD2-OG1 3.28Å |
| 192 | V | 75.4 | Confident | 65.2 | Low | 16 Ų | 16 | 80.1 Ų | 80.1 | 10% | 0.097 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.7 | -36.8 | 179 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | K156 I160 L188 H190 S195 S196 | K156-V192 HydrophobicContact CB-CG2 4.46Å; K156-V192 HydrophobicContact CD-CG2 4.25Å; K156-V192 HydrophobicContact CG-CG2 4.41Å; I160-V192 HydrophobicContact CD1-CB 3.98Å; I160-V192 HydrophobicContact CD1-CG1 3.43Å; I160-V192 VanDerWaalsContact CD1-CG1 3.43Å; L188-V192 HydrophobicContact CD1-CG2 4.22Å; L188-V192 HydrophobicContact CG-CG2 4.47Å; L188-V192 WeakPolarHBondContact O-CB 3.4Å; L188-V192 VanDerWaalsContact O-CG2 3.25Å; L188-V192 WeakPolarHBondContact O-CG2 3.4Å; L188-V192 PolarHBondContact O-N 3.48Å; H190-V192 PolarHBondContact O-N 2.68Å; V192-S195 WeakPolarHBondContact CA-OG 3.18Å; V192-S195 PolarHBondContact O-N 2.83Å; V192-S195 PolarHBondContact O-OG 3.01Å; V192-S196 PolarHBondContact O-N 2.96Å |
| 193 | I | 74.4 | Confident | 63 | Low | 40 Ų | 40 | 85.3 Ų | 85.3 | 21% | 0.205 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 173 | -73.7 | 173.9 | 0 | 0 | 0 | 111.9 | I160 Y189 H190 S195 S196 R197 | I160-I193 HydrophobicContact CD1-CG1 4.36Å; Y189-I193 HydrophobicContact CD1-CD1 3.76Å; Y189-I193 HydrophobicContact CD2-CD1 4.24Å; Y189-I193 HydrophobicContact CE1-CD1 3.34Å; Y189-I193 HydrophobicContact CE2-CD1 3.87Å; Y189-I193 HydrophobicContact CG-CD1 4.19Å; Y189-I193 WeakPolarHBondContact O-CB 3.33Å; Y189-I193 VanDerWaalsContact O-CG1 3.28Å; Y189-I193 WeakPolarHBondContact O-CG1 3.18Å; Y189-I193 PolarHBondContact O-N 2.93Å; H190-I193 PolarHBondContact O-N 3.41Å; I193-S195 VanDerWaalsContact C-N 3.33Å; I193-S195 PolarHBondContact O-N 3.04Å; I193-S196 WeakPolarHBondContact O-CA 3.39Å; I193-S196 WeakPolarHBondContact O-CB 3.49Å; I193-S196 PolarHBondContact O-N 3.35Å; I193-S196 PolarHBondContact O-OG 2.88Å; I193-R197 PolarHBondContact O-N 2.9Å; I193-R197 VanDerWaalsContact O-N 3.15Å |
| 194 | K | 67.2 | Low | 61.1 | Low | 59 Ų | 59 | 85 Ų | 85 | 26% | 0.257 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 176.3 | -164.9 | -170.7 | -179.2 | -161.1 | 0 | 110.3 | H190 D191 S196 R197 E198 E205 | H190-K194 WeakPolarHBondContact O-CB 3.43Å; H190-K194 PolarHBondContact O-N 2.87Å; D191-K194 PolarHBondContact O-N 3.36Å; K194-S196 PolarHBondContact O-N 2.8Å; K194-R197 PolarHBondContact O-N 3.12Å; K194-E198 WeakPolarHBondContact CE-OE2 3.42Å; K194-E198 HydrophobicContact CG-CG 4.47Å; K194-E198 IonicContact NZ-OE2 3.81Å; K194-E198 PolarHBondContact O-N 3.38Å; K194-E205 IonicContact NZ-OE1 2.69Å; K194-E205 PolarHBondContact NZ-OE1 2.99Å |
| 195 | S | 63.6 | Low | 59.3 | Low | 91 Ų | 91 | 89.1 Ų | 89.1 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.1 | -14 | 175.2 | 79.4 | 0 | 0 | 0 | 0 | 114.8 | D191 V192 I193 | D191-S195 WeakPolarHBondContact O-CB 3.43Å; D191-S195 PolarHBondContact O-N 3.08Å; D191-S195 PolarHBondContact O-OG 3.04Å; V192-S195 WeakPolarHBondContact CA-OG 3.18Å; V192-S195 PolarHBondContact O-N 2.83Å; V192-S195 PolarHBondContact O-OG 3.01Å; I193-S195 VanDerWaalsContact C-N 3.33Å; I193-S195 PolarHBondContact O-N 3.04Å |
| 196 | S | 58.8 | Low | 57.8 | Low | 90 Ų | 90 | 95.2 Ų | 95.2 | 63% | 0.629 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -99.8 | -13.9 | 175.2 | 77.4 | 0 | 0 | 0 | 0 | 114.5 | V192 I193 K194 | V192-S196 PolarHBondContact O-N 2.96Å; I193-S196 WeakPolarHBondContact O-CA 3.39Å; I193-S196 WeakPolarHBondContact O-CB 3.49Å; I193-S196 PolarHBondContact O-N 3.35Å; I193-S196 PolarHBondContact O-OG 2.88Å; K194-S196 PolarHBondContact O-N 2.8Å |
| 197 | R | 56 | Low | 56.3 | Low | 201 Ų | 201 | 100.3 Ų | 100.3 | 76% | 0.758 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -113 | -29.7 | -174.1 | -79.3 | -173.9 | 169.8 | -179 | -2.1 | 114.4 | I193 K194 | I193-R197 PolarHBondContact O-N 2.9Å; I193-R197 VanDerWaalsContact O-N 3.15Å; K194-R197 PolarHBondContact O-N 3.12Å |
| 198 | E | 42.4 | Very low | 55.3 | Low | 112 Ų | 112 | 103.4 Ų | 103.4 | 52% | 0.523 | 54% | 0.537 | S | S | . | . | trans | -110 | 100.7 | -168.5 | -70.9 | 174.6 | -158 | 0 | 0 | 111.7 | K194 | K194-E198 WeakPolarHBondContact CE-OE2 3.42Å; K194-E198 HydrophobicContact CG-CG 4.47Å; K194-E198 IonicContact NZ-OE2 3.81Å; K194-E198 PolarHBondContact O-N 3.38Å | ||
| 199 | S | 40.9 | Very low | 54.2 | Low | 109 Ų | 109 | 107.3 Ų | 107.3 | 76% | 0.762 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -105.4 | 7.5 | 163.6 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 200 | F | 33.8 | Very low | 53.3 | Low | 173 Ų | 173 | 105.4 Ų | 105.4 | 76% | 0.759 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -150.3 | 98 | -180 | -86.1 | -88 | 0 | 0 | 0 | 110.5 | ||
| 201 | N | 36.5 | Very low | 52.9 | Low | 141 Ų | 141 | 103.2 Ų | 103.2 | 75% | 0.754 | 54% | 0.543 | S | S | * | . | trans | 149.2 | 78.3 | 147 | -75.3 | -17.5 | 0 | 0 | 0 | 112.1 | L203 | N201-L203 PolarHBondContact O-N 3.31Å; N201-L203 VanDerWaalsContact O-N 3.15Å | ||
| 202 | E | 35.7 | Very low | 53 | Low | 173 Ų | 173 | 102 Ų | 102 | 81% | 0.808 | 54% | 0.537 | S | S | * | . | trans | -69.4 | 99.4 | 167.2 | -62.5 | 174.5 | 152.7 | 0 | 0 | 110 | ||||
| 203 | L | 31.6 | Very low | 53.4 | Low | 166 Ų | 166 | 103.5 Ų | 103.5 | 87% | 0.869 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -177 | 69.8 | 165.7 | -103.2 | 151.7 | 0 | 0 | 0 | 112 | N201 | N201-L203 PolarHBondContact O-N 3.31Å; N201-L203 VanDerWaalsContact O-N 3.15Å |
| 204 | S | 35.6 | Very low | 53.8 | Low | 112 Ų | 112 | 102 Ų | 102 | 78% | 0.783 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 167.3 | 33.7 | 159.5 | 43.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 205 | E | 43.2 | Very low | 54.6 | Low | 91 Ų | 91 | 99.2 Ų | 99.2 | 43% | 0.425 | 52% | 0.521 | S | S | . | . | trans | -96.4 | -2.8 | -157 | -57.2 | -151.7 | 113 | 0 | 0 | 117.7 | K194 | K194-E205 IonicContact NZ-OE1 2.69Å; K194-E205 PolarHBondContact NZ-OE1 2.99Å | ||
| 206 | N | 49.4 | Very low | 55.5 | Low | 128 Ų | 128 | 97.1 Ų | 97.1 | 68% | 0.684 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -40.7 | -164.4 | -70.4 | -2.3 | 0 | 0 | 0 | 114.5 | N208 L209 | N206-N208 PolarHBondContact O-N 3.14Å; N206-L209 PolarHBondContact O-N 3.17Å |
| 207 | D | 49.7 | Very low | 56.8 | Low | 131 Ų | 131 | 96.5 Ų | 96.5 | 70% | 0.701 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -30.7 | -166 | -59.4 | -10.7 | 0 | 0 | 0 | 113.3 | S210 F211 | D207-S210 PolarHBondContact O-OG 3.01Å; D207-F211 VanDerWaalsContact O-CD2 3.24Å; D207-F211 WeakPolarHBondContact O-CD2 3.46Å; D207-F211 WeakPolarHBondContact O-CE2 3.44Å |
| 208 | N | 54.2 | Low | 58.3 | Low | 100 Ų | 100 | 87 Ų | 87 | 54% | 0.535 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -22.7 | -176.9 | -73.6 | -0.1 | 0 | 0 | 0 | 113.8 | N206 S210 F211 | N206-N208 PolarHBondContact O-N 3.14Å; N208-S210 VanDerWaalsContact C-N 3.32Å; N208-S210 PolarHBondContact O-N 3.36Å; N208-F211 PolarHBondContact O-N 3.42Å |
| 209 | L | 58.3 | Low | 60.4 | Low | 85 Ų | 85 | 86.3 Ų | 86.3 | 45% | 0.445 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.6 | -29 | -167.7 | -135.3 | 89.5 | 0 | 0 | 0 | 113.4 | N206 W213 | N206-L209 PolarHBondContact O-N 3.17Å; L209-W213 WeakPolarHBondContact O-CB 3.44Å; L209-W213 PolarHBondContact O-N 3.26Å |
| 210 | S | 61.3 | Low | 62.5 | Low | 30 Ų | 30 | 81.2 Ų | 81.2 | 21% | 0.21 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68.8 | -45.9 | -179.4 | 57.2 | 0 | 0 | 0 | 0 | 112 | D207 N208 T212 I214 | D207-S210 PolarHBondContact O-OG 3.01Å; N208-S210 VanDerWaalsContact C-N 3.32Å; N208-S210 PolarHBondContact O-N 3.36Å; S210-T212 VanDerWaalsContact C-N 3.3Å; S210-T212 PolarHBondContact O-N 3.36Å; S210-I214 WeakPolarHBondContact O-CG1 3.49Å; S210-I214 PolarHBondContact O-N 3.47Å |
| 211 | F | 69.6 | Low | 65.1 | Low | 81 Ų | 81 | 73 Ų | 73 | 36% | 0.355 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.5 | -31.1 | -173.4 | -65 | -69.6 | 0 | 0 | 0 | 113.9 | D207 N208 P215 F273 S399 | D207-F211 VanDerWaalsContact O-CD2 3.24Å; D207-F211 WeakPolarHBondContact O-CD2 3.46Å; D207-F211 WeakPolarHBondContact O-CE2 3.44Å; N208-F211 PolarHBondContact O-N 3.42Å; F211-P215 WeakPolarHBondContact O-CD 3.32Å; F211-F273 HydrophobicContact CD1-CE2 4.33Å; F211-S399 VanDerWaalsContact CD1-O 3.32Å; F211-S399 WeakPolarHBondContact CD1-O 3.48Å |
| 212 | T | 75.1 | Confident | 67.3 | Low | 13 Ų | 13 | 67 Ų | 67 | 8% | 0.08 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -101.1 | -34.3 | 180 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | A187 L188 D191 S210 L216 | A187-T212 HydrophobicContact CB-CG2 4.32Å; L188-T212 HydrophobicContact CD1-CG2 4.45Å; D191-T212 WeakPolarHBondContact OD2-CB 3.35Å; D191-T212 WeakPolarHBondContact OD2-CG2 3.39Å; D191-T212 PolarHBondContact OD2-OG1 3.28Å; S210-T212 VanDerWaalsContact C-N 3.3Å; S210-T212 PolarHBondContact O-N 3.36Å; T212-L216 VanDerWaalsContact O-CD1 3.27Å; T212-L216 WeakPolarHBondContact O-CD1 3.38Å; T212-L216 VanDerWaalsContact O-CG 3.24Å; T212-L216 WeakPolarHBondContact O-CG 3.32Å |
| 213 | W | 83.7 | Confident | 69.6 | Low | 48 Ų | 48 | 59.5 Ų | 59.5 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72.3 | -38.4 | -176.7 | -169 | 95.9 | 0 | 0 | 0 | 113.6 | L209 L216 N217 I218 N298 H301 I302 I306 | L209-W213 WeakPolarHBondContact O-CB 3.44Å; L209-W213 PolarHBondContact O-N 3.26Å; W213-L216 PolarHBondContact O-N 3.16Å; W213-N217 HydrophobicContact CD2-CB 4.36Å; W213-N217 HydrophobicContact CE3-CB 4.35Å; W213-N217 HydrophobicContact CH2-CB 4.12Å; W213-N217 HydrophobicContact CZ2-CB 4.1Å; W213-N217 HydrophobicContact CZ3-CB 4.24Å; W213-N217 PolarHBondContact NE1-ND2 2.9Å; W213-N217 PolarHBondContact O-N 3.14Å; W213-N217 PolarHBondContact O-ND2 3.46Å; W213-I218 HydrophobicContact CZ3-CD1 4.29Å; W213-I218 HydrophobicContact CZ3-CG1 4.23Å; W213-N298 HydrophobicContact CH2-CB 4.28Å; W213-H301 AromaticContact CZ2-CD2 3.84Å; W213-I302 HydrophobicContact CZ3-CG1 4.16Å; W213-I306 HydrophobicContact CD2-CD1 4.08Å; W213-I306 HydrophobicContact CE3-CD1 3.46Å; W213-I306 VanDerWaalsContact CE3-CD1 3.46Å; W213-I306 HydrophobicContact CZ3-CD1 3.78Å |
| 214 | I | 84 | Confident | 71.8 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -51.9 | -173.9 | -65.3 | 168.5 | 0 | 0 | 0 | 112.1 | S210 L216 N217 I218 T270 F273 I288 I306 | S210-I214 WeakPolarHBondContact O-CG1 3.49Å; S210-I214 PolarHBondContact O-N 3.47Å; I214-L216 PolarHBondContact O-N 3.06Å; I214-N217 PolarHBondContact O-N 3.39Å; I214-I218 HydrophobicContact CG2-CB 4.46Å; I214-I218 HydrophobicContact CG2-CG1 4.47Å; I214-I218 PolarHBondContact O-N 3.31Å; I214-T270 HydrophobicContact CG2-CG2 3.64Å; I214-F273 HydrophobicContact CB-CD1 4.29Å; I214-F273 HydrophobicContact CB-CD2 4.38Å; I214-F273 HydrophobicContact CB-CE1 4.48Å; I214-F273 HydrophobicContact CB-CG 4.25Å; I214-F273 HydrophobicContact CD1-CB 4.25Å; I214-F273 HydrophobicContact CD1-CD2 3.68Å; I214-F273 HydrophobicContact CD1-CE2 4.25Å; I214-F273 HydrophobicContact CD1-CG 4.02Å; I214-F273 HydrophobicContact CG2-CB 4.02Å; I214-F273 HydrophobicContact CG2-CD1 3.7Å; I214-F273 HydrophobicContact CG2-CD2 4.37Å; I214-F273 HydrophobicContact CG2-CE1 4.29Å; I214-F273 HydrophobicContact CG2-CG 3.76Å; I214-I288 HydrophobicContact CG2-CD1 4.07Å; I214-I288 HydrophobicContact CG2-CG1 4.46Å; I214-I306 HydrophobicContact CD1-CG2 4.48Å; I214-I306 HydrophobicContact CG1-CD1 4.4Å |
| 215 | P | 82.3 | Confident | 73.9 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -29.4 | 177.2 | -25.5 | 35.5 | 0 | 0 | 0 | 114.1 | F184 F211 P269 F273 Y398 | F184-P215 HydrophobicContact CD2-CG 4.4Å; F184-P215 HydrophobicContact CE2-CB 3.89Å; F184-P215 HydrophobicContact CE2-CG 4Å; F184-P215 HydrophobicContact CZ-CB 4.42Å; F211-P215 WeakPolarHBondContact O-CD 3.32Å; P215-P269 WeakPolarHBondContact O-CB 3.49Å; P215-F273 HydrophobicContact CG-CE1 3.71Å; P215-F273 HydrophobicContact CG-CZ 4.02Å; P215-Y398 HydrophobicContact CB-CD1 4.47Å |
| 216 | L | 83.6 | Confident | 75.5 | Confident | 46 Ų | 46 | 48.4 Ų | 48.4 | 24% | 0.241 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -78.8 | -29.1 | -177.2 | -68.6 | 174.9 | 0 | 0 | 0 | 113.5 | F184 L188 T212 W213 I214 | F184-L216 HydrophobicContact CZ-CD2 4.43Å; L188-L216 HydrophobicContact CD1-CD1 4.43Å; T212-L216 VanDerWaalsContact O-CD1 3.27Å; T212-L216 WeakPolarHBondContact O-CD1 3.38Å; T212-L216 VanDerWaalsContact O-CG 3.24Å; T212-L216 WeakPolarHBondContact O-CG 3.32Å; W213-L216 PolarHBondContact O-N 3.16Å; I214-L216 PolarHBondContact O-N 3.06Å |
| 217 | N | 85.1 | Confident | 77 | Confident | 77 Ų | 77 | 44.1 Ų | 44.1 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -113.7 | -24.2 | -170.9 | -63.7 | -79.2 | 0 | 0 | 0 | 114.5 | W213 I214 | W213-N217 HydrophobicContact CD2-CB 4.36Å; W213-N217 HydrophobicContact CE3-CB 4.35Å; W213-N217 HydrophobicContact CH2-CB 4.12Å; W213-N217 HydrophobicContact CZ2-CB 4.1Å; W213-N217 HydrophobicContact CZ3-CB 4.24Å; W213-N217 PolarHBondContact NE1-ND2 2.9Å; W213-N217 PolarHBondContact O-N 3.14Å; W213-N217 PolarHBondContact O-ND2 3.46Å; I214-N217 PolarHBondContact O-N 3.39Å |
| 218 | I | 87.9 | Confident | 78.4 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | trans | -108 | 132.3 | -174.3 | -53.8 | -61 | 0 | 0 | 0 | 110.5 | W213 I214 T270 I288 R289 V290 T294 N298 I302 | W213-I218 HydrophobicContact CZ3-CD1 4.29Å; W213-I218 HydrophobicContact CZ3-CG1 4.23Å; I214-I218 HydrophobicContact CG2-CB 4.46Å; I214-I218 HydrophobicContact CG2-CG1 4.47Å; I214-I218 PolarHBondContact O-N 3.31Å; I218-T270 HydrophobicContact CB-CG2 3.7Å; I218-T270 HydrophobicContact CG2-CG2 3.67Å; I218-T270 PolarHBondContact O-N 3.1Å; I218-I288 HydrophobicContact CG1-CD1 4.26Å; I218-I288 HydrophobicContact CG2-CD1 4.47Å; I218-R289 WeakPolarHBondContact CG2-O 2.79Å; I218-V290 HydrophobicContact CG2-CG1 4.01Å; I218-T294 HydrophobicContact CD1-CG2 4.18Å; I218-N298 HydrophobicContact CD1-CB 4.39Å; I218-I302 HydrophobicContact CD1-CD1 4.4Å | ||
| 219 | K | 86.9 | Confident | 79.4 | Confident | 97 Ų | 97 | 38.9 Ų | 38.9 | 42% | 0.422 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 152.4 | 179.3 | -62.1 | -171.5 | 178.8 | -168.4 | 0 | 111.9 | E117 D267 L268 S291 | E117-K219 IonicContact OE1-NZ 2.65Å; K219-D267 HydrophobicContact CB-CB 4.41Å; K219-D267 HydrophobicContact CD-CB 4.33Å; K219-L268 CarbonylContact C-O 3.53Å; K219-L268 VanDerWaalsContact CA-O 3.27Å; K219-L268 WeakPolarHBondContact CA-O 3.42Å; K219-S291 PolarHBondContact O-N 3.36Å |
| 220 | A | 85.9 | Confident | 80.3 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 137.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L268 R289 | A220-L268 PolarHBondContact N-O 2.88Å; A220-L268 PolarHBondContact O-N 3.4Å; A220-R289 HydrophobicContact CB-CG 4.09Å |
| 221 | P | 86.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 136.5 | 179.4 | 23.7 | -31.8 | 0 | 0 | 0 | 113.8 | Y266 D267 R289 D430 T432 | P221-Y266 CarbonylContact C-O 3.41Å; P221-Y266 WeakPolarHBondContact CA-O 3.48Å; P221-D267 WeakPolarHBondContact CA-OD1 3.36Å; P221-D267 WeakPolarHBondContact CB-OD1 3.28Å; P221-R289 PolarHBondContact O-NH2 3.16Å; P221-D430 HydrophobicContact CG-CB 3.87Å; P221-T432 HydrophobicContact CB-CG2 3.79Å; P221-T432 HydrophobicContact CG-CG2 4.27Å |
| 222 | V | 82.9 | Confident | 81.1 | Confident | 17 Ų | 17 | 42.8 Ų | 42.8 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 141.2 | 175.3 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | V224 I248 Y265 Y266 L268 | V222-V224 PolarHBondContact O-N 3.27Å; V222-I248 HydrophobicContact CG1-CD1 4.05Å; V222-I248 HydrophobicContact CG1-CG1 3.99Å; V222-Y265 CarbonylContact O-C 3.54Å; V222-Y265 VanDerWaalsContact O-CA 3.26Å; V222-Y265 WeakPolarHBondContact O-CA 3.47Å; V222-Y266 PolarHBondContact N-O 2.98Å; V222-Y266 PolarHBondContact O-N 3.38Å; V222-L268 HydrophobicContact CB-CD1 4.33Å; V222-L268 HydrophobicContact CG2-CB 4.41Å; V222-L268 HydrophobicContact CG2-CD1 4.02Å |
| 223 | C | 83.9 | Confident | 81.3 | Confident | 14 Ų | 14 | 46.4 Ų | 46.4 | 10% | 0.095 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 105.2 | -175.5 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | C238 Y265 | C223-C238 HydrophobicContact CB-CB 4.04Å; C223-Y265 HydrophobicContact CB-CD1 4.07Å; C223-Y265 HydrophobicContact CB-CE1 3.93Å |
| 224 | V | 79.5 | Confident | 81.2 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | trans | -77.4 | -32.2 | -176.1 | -171.6 | 0 | 0 | 0 | 0 | 112.9 | V222 P226 I248 L258 K264 | V222-V224 PolarHBondContact O-N 3.27Å; V224-P226 WeakPolarHBondContact O-CD 3.2Å; V224-I248 HydrophobicContact CB-CD1 4.19Å; V224-I248 HydrophobicContact CG1-CD1 4.35Å; V224-I248 HydrophobicContact CG2-CD1 4.07Å; V224-L258 HydrophobicContact CG1-CB 3.63Å; V224-L258 HydrophobicContact CG1-CD2 4.04Å; V224-L258 HydrophobicContact CG1-CG 4.28Å; V224-K264 PolarHBondContact N-O 3.37Å | ||
| 225 | K | 78.8 | Confident | 81 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -123.7 | 84.1 | -170.6 | -165.9 | 166.8 | -174 | 145.5 | 0 | 111.3 | S227 R259 G261 | K225-S227 PolarHBondContact O-N 2.89Å; K225-S227 PolarHBondContact O-OG 3.08Å; K225-R259 WeakPolarHBondContact CD-O 3.35Å; K225-R259 WeakPolarHBondContact CE-O 3.43Å; K225-R259 PolarHBondContact NZ-O 2.94Å; K225-G261 PolarHBondContact NZ-O 3Å; K225-G261 VanDerWaalsContact NZ-O 3.16Å |
| 226 | P | 76.9 | Confident | 80.9 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | trans | -52.5 | 130.1 | 172 | -20.4 | 29.2 | 0 | 0 | 0 | 110.1 | V224 L242 H245 | V224-P226 WeakPolarHBondContact O-CD 3.2Å; P226-L242 HydrophobicContact CB-CD2 4.04Å; P226-H245 HydrophobicContact CG-CB 4.34Å | ||
| 227 | S | 80.1 | Confident | 80.6 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | trans | -149.7 | 127.1 | -176.2 | 33.6 | 0 | 0 | 0 | 0 | 108.3 | K225 N229 C236 V237 K264 | K225-S227 PolarHBondContact O-N 2.89Å; K225-S227 PolarHBondContact O-OG 3.08Å; S227-N229 PolarHBondContact O-N 3.43Å; S227-C236 PolarHBondContact N-SG 3.12Å; S227-C236 CarbonylContact O-C 3.57Å; S227-C236 WeakPolarHBondContact O-CA 3.45Å; S227-C236 PolarHBondContact O-SG 3.26Å; S227-C236 VanDerWaalsContact O-SG 3.41Å; S227-V237 PolarHBondContact O-N 2.97Å; S227-K264 WeakPolarHBondContact OG-CE 3.47Å; S227-K264 PolarHBondContact OG-NZ 2.94Å | ||
| 228 | T | 80.3 | Confident | 80.2 | Confident | 96 Ų | 96 | 46 Ų | 46 | 59% | 0.589 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 132.7 | -178.1 | 42.1 | 0 | 0 | 0 | 0 | 111.5 | V237 L242 | T228-V237 WeakPolarHBondContact O-CG2 3.46Å; T228-L242 HydrophobicContact CG2-CD1 3.67Å |
| 229 | N | 74.7 | Confident | 79.7 | Confident | 26 Ų | 26 | 46.2 Ų | 46.2 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 123.1 | 174.5 | -178.4 | -16.4 | 0 | 0 | 0 | 109.1 | S227 A231 Y232 L235 V237 | S227-N229 PolarHBondContact O-N 3.43Å; N229-A231 PolarHBondContact O-N 3.31Å; N229-A231 VanDerWaalsContact O-N 3.15Å; N229-A231 PolarHBondContact OD1-N 2.8Å; N229-Y232 WeakPolarHBondContact CB-O 3.15Å; N229-Y232 CarbonylContact O-C 3.55Å; N229-Y232 PolarHBondContact O-N 3.4Å; N229-Y232 VanDerWaalsContact O-N 3.07Å; N229-L235 HydrophobicContact CB-CB 4.46Å; N229-L235 VanDerWaalsContact CB-O 3.31Å; N229-L235 WeakPolarHBondContact CB-O 3.46Å; N229-L235 PolarHBondContact N-O 3.41Å; N229-V237 HydrophobicContact CB-CG2 4.36Å |
| 230 | P | 76.5 | Confident | 79.2 | Confident | 127 Ų | 127 | 42.8 Ų | 42.8 | 83% | 0.825 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20.1 | -178.1 | 25.9 | -35.3 | 0 | 0 | 0 | 113.9 | ||
| 231 | A | 72.8 | Confident | 78.9 | Confident | 67 Ų | 67 | 44.3 Ų | 44.3 | 55% | 0.554 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -27.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N229 | N229-A231 PolarHBondContact O-N 3.31Å; N229-A231 VanDerWaalsContact O-N 3.15Å; N229-A231 PolarHBondContact OD1-N 2.8Å |
| 232 | Y | 75.7 | Confident | 78.5 | Confident | 84 Ų | 84 | 47.2 Ų | 47.2 | 33% | 0.329 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 91.7 | -173 | -59.1 | -54.1 | 0 | 0 | 0 | 110.3 | N229 D234 L235 K415 | N229-Y232 WeakPolarHBondContact CB-O 3.15Å; N229-Y232 CarbonylContact O-C 3.55Å; N229-Y232 PolarHBondContact O-N 3.4Å; N229-Y232 VanDerWaalsContact O-N 3.07Å; Y232-D234 PolarHBondContact O-N 3.33Å; Y232-D234 VanDerWaalsContact O-N 3.09Å; Y232-L235 HydrophobicContact CD2-CD1 4.25Å; Y232-L235 HydrophobicContact CG-CD1 4.31Å; Y232-L235 PolarHBondContact O-N 3.27Å; Y232-K415 HydrophobicContact CD1-CD 4.44Å; Y232-K415 VanDerWaalsContact CD1-CE 3.45Å; Y232-K415 HydrophobicContact CD2-CG 4.39Å; Y232-K415 HydrophobicContact CE1-CG 4.32Å; Y232-K415 HydrophobicContact CE2-CG 4.12Å |
| 233 | P | 79.4 | Confident | 78.3 | Confident | 89 Ų | 89 | 52.9 Ų | 52.9 | 58% | 0.578 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.8 | -32.4 | -169.7 | -29.5 | 36.5 | 0 | 0 | 0 | 115.7 | L235 L242 | P233-L235 VanDerWaalsContact C-N 3.26Å; P233-L235 PolarHBondContact O-N 2.92Å; P233-L242 WeakPolarHBondContact O-CD1 3.11Å |
| 234 | D | 80.9 | Confident | 77.8 | Confident | 113 Ų | 113 | 55.8 Ų | 55.8 | 60% | 0.604 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -20.2 | -177.8 | -37.6 | -51.9 | 0 | 0 | 0 | 113 | Y232 L242 | Y232-D234 PolarHBondContact O-N 3.33Å; Y232-D234 VanDerWaalsContact O-N 3.09Å; D234-L242 PolarHBondContact O-N 3.49Å; D234-L242 VanDerWaalsContact O-N 3.13Å |
| 235 | L | 79.6 | Confident | 77.6 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 146.1 | -176.9 | -59.8 | 178.3 | 0 | 0 | 0 | 110.4 | N229 Y232 P233 N239 P241 K415 | N229-L235 HydrophobicContact CB-CB 4.46Å; N229-L235 VanDerWaalsContact CB-O 3.31Å; N229-L235 WeakPolarHBondContact CB-O 3.46Å; N229-L235 PolarHBondContact N-O 3.41Å; Y232-L235 HydrophobicContact CD2-CD1 4.25Å; Y232-L235 HydrophobicContact CG-CD1 4.31Å; Y232-L235 PolarHBondContact O-N 3.27Å; P233-L235 VanDerWaalsContact C-N 3.26Å; P233-L235 PolarHBondContact O-N 2.92Å; L235-N239 WeakPolarHBondContact CD1-OD1 3.38Å; L235-P241 HydrophobicContact CD2-CB 4.22Å; L235-P241 HydrophobicContact CD2-CG 3.85Å; L235-K415 HydrophobicContact CD1-CB 4.43Å; L235-K415 HydrophobicContact CD1-CD 4.26Å; L235-K415 HydrophobicContact CD1-CG 4.49Å |
| 236 | C | 81.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 159.9 | 163.5 | 179.6 | 0 | 0 | 0 | 0 | 110 | S227 C238 N239 T240 L242 H245 | S227-C236 PolarHBondContact N-SG 3.12Å; S227-C236 CarbonylContact O-C 3.57Å; S227-C236 WeakPolarHBondContact O-CA 3.45Å; S227-C236 PolarHBondContact O-SG 3.26Å; S227-C236 VanDerWaalsContact O-SG 3.41Å; C236-C238 VanDerWaalsContact CB-SG 3.5Å; C236-C238 PolarHBondContact O-N 2.71Å; C236-C238 PolarHBondContact SG-SG 2.94Å; C236-N239 WeakPolarHBondContact O-CA 3.43Å; C236-N239 PolarHBondContact O-N 2.96Å; C236-T240 VanDerWaalsContact CB-O 3.29Å; C236-T240 WeakPolarHBondContact CB-O 3.43Å; C236-T240 PolarHBondContact N-O 2.92Å; C236-L242 HydrophobicContact CB-CD2 4.21Å; C236-L242 HydrophobicContact CB-CG 4.49Å; C236-H245 WeakPolarHBondContact CB-CE1 3.42Å; C236-H245 WeakPolarHBondContact CB-NE2 3.39Å; C236-H245 PolarHBondContact SG-NE2 2.87Å; C236-H245 VanDerWaalsContact SG-NE2 3.41Å |
| 237 | V | 77.2 | Confident | 76.9 | Confident | 48 Ų | 48 | 62 Ų | 62 | 29% | 0.291 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -13.5 | 169.2 | 173.5 | 0 | 0 | 0 | 0 | 112.8 | S227 T228 N229 N239 K264 | S227-V237 PolarHBondContact O-N 2.97Å; T228-V237 WeakPolarHBondContact O-CG2 3.46Å; N229-V237 HydrophobicContact CB-CG2 4.36Å; V237-N239 VanDerWaalsContact C-N 3.34Å; V237-K264 VanDerWaalsContact CB-NZ 3.27Å; V237-K264 VanDerWaalsContact CG1-NZ 3.27Å |
| 238 | C | 76.2 | Confident | 76.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 0.7 | 168.9 | 70.6 | 0 | 0 | 0 | 0 | 114.4 | C223 C236 T240 H245 Y265 K385 | C223-C238 HydrophobicContact CB-CB 4.04Å; C236-C238 VanDerWaalsContact CB-SG 3.5Å; C236-C238 PolarHBondContact O-N 2.71Å; C236-C238 PolarHBondContact SG-SG 2.94Å; C238-T240 PolarHBondContact O-N 3.14Å; C238-H245 PolarHBondContact SG-NE2 2.9Å; C238-Y265 WeakPolarHBondContact CA-OH 3.02Å; C238-Y265 HydrophobicContact CB-CE1 3.7Å; C238-Y265 WeakPolarHBondContact CB-OH 3.26Å; C238-K385 WeakPolarHBondContact O-CB 3.49Å; C238-K385 WeakPolarHBondContact O-CD 3.33Å; C238-K385 WeakPolarHBondContact O-CG 3.5Å |
| 239 | N | 77 | Confident | 76.3 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 68.2 | 2.6 | -176.9 | -155.6 | 60.7 | 0 | 0 | 0 | 116.8 | L235 C236 V237 K385 K415 H416 L435 | L235-N239 WeakPolarHBondContact CD1-OD1 3.38Å; C236-N239 WeakPolarHBondContact O-CA 3.43Å; C236-N239 PolarHBondContact O-N 2.96Å; V237-N239 VanDerWaalsContact C-N 3.34Å; N239-K385 WeakPolarHBondContact CB-O 3.42Å; N239-K385 PolarHBondContact ND2-O 2.6Å; N239-K415 PolarHBondContact ND2-O 3.5Å; N239-H416 PolarHBondContact ND2-NE2 2.78Å; N239-H416 PolarHBondContact O-NE2 3.37Å; N239-L435 HydrophobicContact CB-CD2 3.58Å |
| 240 | T | 77.6 | Confident | 76 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 16% | 0.16 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -77.5 | 139.6 | 162 | -46 | 0 | 0 | 0 | 0 | 110 | C236 C238 E244 H245 | C236-T240 VanDerWaalsContact CB-O 3.29Å; C236-T240 WeakPolarHBondContact CB-O 3.43Å; C236-T240 PolarHBondContact N-O 2.92Å; C238-T240 PolarHBondContact O-N 3.14Å; T240-E244 HydrophobicContact CG2-CB 4.14Å; T240-H245 PolarHBondContact O-CE1 2.71Å |
| 241 | P | 79.2 | Confident | 75.9 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 22% | 0.221 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -59.1 | 147.7 | 173.7 | -23.9 | 34.9 | 0 | 0 | 0 | 112.8 | L235 T243 E244 H245 | L235-P241 HydrophobicContact CD2-CB 4.22Å; L235-P241 HydrophobicContact CD2-CG 3.85Å; P241-T243 VanDerWaalsContact C-N 3.25Å; P241-T243 PolarHBondContact O-N 3.14Å; P241-E244 HydrophobicContact CB-CB 4.12Å; P241-E244 HydrophobicContact CB-CG 3.88Å; P241-E244 WeakPolarHBondContact CD-OE2 3.4Å; P241-E244 HydrophobicContact CG-CB 4.46Å; P241-E244 HydrophobicContact CG-CG 4.26Å; P241-E244 VanDerWaalsContact CG-OE2 3.3Å; P241-E244 WeakPolarHBondContact CG-OE2 3.3Å; P241-E244 PolarHBondContact O-N 3.08Å; P241-H245 PolarHBondContact O-CE1 2.93Å; P241-H245 PolarHBondContact O-ND1 2.76Å |
| 242 | L | 78.5 | Confident | 75.9 | Confident | 61 Ų | 61 | 59.1 Ų | 59.1 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -64.6 | -28.9 | -174.2 | -78.4 | 155.7 | 0 | 0 | 0 | 113.5 | P226 T228 P233 D234 C236 E244 | P226-L242 HydrophobicContact CB-CD2 4.04Å; T228-L242 HydrophobicContact CG2-CD1 3.67Å; P233-L242 WeakPolarHBondContact O-CD1 3.11Å; D234-L242 PolarHBondContact O-N 3.49Å; D234-L242 VanDerWaalsContact O-N 3.13Å; C236-L242 HydrophobicContact CB-CD2 4.21Å; C236-L242 HydrophobicContact CB-CG 4.49Å; L242-E244 VanDerWaalsContact C-N 3.26Å; L242-E244 PolarHBondContact O-N 2.56Å |
| 243 | T | 78.2 | Confident | 75.7 | Confident | 136 Ų | 136 | 58.7 Ų | 58.7 | 83% | 0.834 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -76 | -7.6 | 174.3 | 48 | 0 | 0 | 0 | 0 | 114.1 | P241 | P241-T243 VanDerWaalsContact C-N 3.25Å; P241-T243 PolarHBondContact O-N 3.14Å |
| 244 | E | 73 | Confident | 75.6 | Confident | 74 Ų | 74 | 54.5 Ų | 54.5 | 35% | 0.346 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -120.9 | 12.9 | -162.7 | -63.6 | -159.8 | 142 | 0 | 0 | 114.7 | T240 P241 L242 K391 | T240-E244 HydrophobicContact CG2-CB 4.14Å; P241-E244 HydrophobicContact CB-CB 4.12Å; P241-E244 HydrophobicContact CB-CG 3.88Å; P241-E244 WeakPolarHBondContact CD-OE2 3.4Å; P241-E244 HydrophobicContact CG-CB 4.46Å; P241-E244 HydrophobicContact CG-CG 4.26Å; P241-E244 VanDerWaalsContact CG-OE2 3.3Å; P241-E244 WeakPolarHBondContact CG-OE2 3.3Å; P241-E244 PolarHBondContact O-N 3.08Å; L242-E244 VanDerWaalsContact C-N 3.26Å; L242-E244 PolarHBondContact O-N 2.56Å; E244-K391 WeakPolarHBondContact OE1-CE 3.01Å; E244-K391 IonicContact OE1-NZ 2.73Å; E244-K391 PolarHBondContact OE1-NZ 3.23Å; E244-K391 WeakPolarHBondContact OE2-CE 3.47Å; E244-K391 IonicContact OE2-NZ 3.76Å |
| 245 | H | 76 | Confident | 75.4 | Confident | 38 Ų | 38 | 51.1 Ų | 51.1 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | trans | -73 | 132.2 | 176.5 | -74.6 | 54.7 | 0 | 0 | 0 | 111 | P226 C236 C238 T240 P241 E247 | P226-H245 HydrophobicContact CG-CB 4.34Å; C236-H245 WeakPolarHBondContact CB-CE1 3.42Å; C236-H245 WeakPolarHBondContact CB-NE2 3.39Å; C236-H245 PolarHBondContact SG-NE2 2.87Å; C236-H245 VanDerWaalsContact SG-NE2 3.41Å; C238-H245 PolarHBondContact SG-NE2 2.9Å; T240-H245 PolarHBondContact O-CE1 2.71Å; P241-H245 PolarHBondContact O-CE1 2.93Å; P241-H245 PolarHBondContact O-ND1 2.76Å; H245-E247 PolarHBondContact O-N 2.88Å | ||
| 246 | Q | 70.3 | Confident | 75.3 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 33% | 0.332 | 29% | 0.294 | S | S | . | . | trans | -55.9 | 133.8 | 173.1 | -176.4 | -178.6 | -13.9 | 0 | 0 | 110.7 | I248 | Q246-I248 PolarHBondContact O-N 3.31Š| ||
| 247 | E | 69.5 | Low | 75 | Confident | 159 Ų | 159 | 59 Ų | 59 | 74% | 0.743 | 31% | 0.306 | S | S | * | . | trans | -69.7 | 115.9 | 166.1 | -64.8 | -167.8 | 156.4 | 0 | 0 | 108.7 | H245 | H245-E247 PolarHBondContact O-N 2.88Š| ||
| 248 | I | 73.6 | Confident | 74.9 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | trans | -81 | -20.2 | -172 | -68.5 | 170.1 | 0 | 0 | 0 | 112.3 | F113 V222 V224 Q246 L258 | F113-I248 HydrophobicContact CE1-CG2 3.67Å; F113-I248 HydrophobicContact CZ-CG2 3.51Å; V222-I248 HydrophobicContact CG1-CD1 4.05Å; V222-I248 HydrophobicContact CG1-CG1 3.99Å; V224-I248 HydrophobicContact CB-CD1 4.19Å; V224-I248 HydrophobicContact CG1-CD1 4.35Å; V224-I248 HydrophobicContact CG2-CD1 4.07Å; Q246-I248 PolarHBondContact O-N 3.31Å; I248-L258 HydrophobicContact CG2-CD1 4.09Å | ||
| 249 | T | 74.1 | Confident | 74.9 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | trans | -163.3 | 145.9 | -175.7 | 164.8 | 0 | 0 | 0 | 0 | 108.6 | D144 N251 F254 L255 L258 | D144-T249 WeakPolarHBondContact OD2-CA 3.48Å; D144-T249 WeakPolarHBondContact OD2-CB 3.42Å; D144-T249 PolarHBondContact OD2-OG1 3.13Å; T249-N251 VanDerWaalsContact C-N 3.27Å; T249-N251 WeakPolarHBondContact OG1-CB 3.3Å; T249-N251 PolarHBondContact OG1-N 3.35Å; T249-F254 HydrophobicContact CG2-CB 4.46Å; T249-F254 HydrophobicContact CG2-CD1 3.51Å; T249-F254 HydrophobicContact CG2-CE1 3.91Å; T249-F254 HydrophobicContact CG2-CG 4.16Å; T249-F254 VanDerWaalsContact OG1-CD1 3.27Å; T249-F254 WeakPolarHBondContact OG1-CD1 3.38Å; T249-L255 HydrophobicContact CG2-CB 3.89Å; T249-L255 HydrophobicContact CG2-CD1 4.33Å; T249-L258 HydrophobicContact CG2-CD1 4.2Å | ||
| 250 | K | 68.9 | Low | 74.8 | Confident | 145 Ų | 145 | 69.2 Ų | 69.2 | 63% | 0.63 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -77.8 | -12.2 | 171.7 | -65.3 | 175.1 | -178.6 | 174.8 | 0 | 112.9 | D144 P252 | D144-K250 WeakPolarHBondContact OD1-CB 3.23Å; D144-K250 WeakPolarHBondContact OD1-CG 3.34Å; D144-K250 PolarHBondContact OD1-N 3.47Å; D144-K250 PolarHBondContact OD2-N 3.35Å; K250-P252 WeakPolarHBondContact O-CD 3.5Å |
| 251 | N | 73.5 | Confident | 74.3 | Confident | 29 Ų | 29 | 69.2 Ų | 69.2 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | trans | -84.3 | 114.2 | -177.2 | 178.9 | -15.8 | 0 | 0 | 0 | 111.7 | V110 T249 Q253 F254 L255 | V110-N251 WeakPolarHBondContact CG1-ND2 3.39Å; V110-N251 PolarHBondContact O-ND2 2.84Å; T249-N251 VanDerWaalsContact C-N 3.27Å; T249-N251 WeakPolarHBondContact OG1-CB 3.3Å; T249-N251 PolarHBondContact OG1-N 3.35Å; N251-Q253 VanDerWaalsContact C-N 3.3Å; N251-Q253 PolarHBondContact O-N 3.41Å; N251-Q253 WeakPolarHBondContact OD1-CB 3.36Å; N251-Q253 PolarHBondContact OD1-N 3.44Å; N251-F254 HydrophobicContact CB-CB 3.98Å; N251-F254 PolarHBondContact O-N 3Å; N251-F254 PolarHBondContact OD1-N 2.89Å; N251-L255 VanDerWaalsContact O-CB 3.3Å; N251-L255 WeakPolarHBondContact O-CB 3.47Å; N251-L255 PolarHBondContact O-N 2.93Å | ||
| 252 | P | 74.2 | Confident | 73.9 | Confident | 98 Ų | 98 | 76.9 Ų | 76.9 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.2 | -23.7 | -177.4 | 28.8 | -35.5 | 0 | 0 | 0 | 113.9 | K250 K256 | K250-P252 WeakPolarHBondContact O-CD 3.5Å; P252-K256 VanDerWaalsContact O-CB 3.29Å; P252-K256 WeakPolarHBondContact O-CB 3.34Å; P252-K256 PolarHBondContact O-N 2.89Å; P252-K256 VanDerWaalsContact O-N 3.14Å |
| 253 | Q | 70.6 | Confident | 73.6 | Confident | 76 Ų | 76 | 77.8 Ų | 77.8 | 36% | 0.355 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -75.1 | -48.4 | 176.8 | -58.7 | -168 | 11.6 | 0 | 0 | 110.9 | N251 L255 K256 S257 | N251-Q253 VanDerWaalsContact C-N 3.3Å; N251-Q253 PolarHBondContact O-N 3.41Å; N251-Q253 WeakPolarHBondContact OD1-CB 3.36Å; N251-Q253 PolarHBondContact OD1-N 3.44Å; Q253-L255 PolarHBondContact O-N 2.81Å; Q253-K256 WeakPolarHBondContact O-CB 3.47Å; Q253-K256 PolarHBondContact O-N 3.12Å; Q253-K256 VanDerWaalsContact O-N 3.15Å; Q253-S257 PolarHBondContact O-N 3.45Å |
| 254 | F | 77.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 175.1 | 177.2 | -146.2 | 0 | 0 | 0 | 111.2 | S76 H78 G111 D112 F113 V114 T249 N251 K256 S257 L258 | S76-F254 WeakPolarHBondContact OG-CB 3.26Å; H78-F254 AromaticContact CE1-CD2 3.94Å; H78-F254 AromaticContact CE1-CE2 3.58Å; H78-F254 AromaticContact NE2-CD2 3.88Å; H78-F254 AromaticContact NE2-CE2 3.64Å; G111-F254 WeakPolarHBondContact O-CD1 3.42Å; G111-F254 WeakPolarHBondContact O-CE1 3.4Å; D112-F254 HydrophobicContact CB-CD1 4.41Å; D112-F254 HydrophobicContact CB-CD2 4.24Å; D112-F254 HydrophobicContact CB-CE2 4.3Å; D112-F254 HydrophobicContact CB-CG 4.32Å; D112-F254 HydrophobicContact CB-CZ 4.46Å; D112-F254 VanDerWaalsContact CG-CE2 3.46Å; D112-F254 WeakPolarHBondContact OD1-CE2 3.18Å; D112-F254 WeakPolarHBondContact OD1-CZ 3.48Å; F113-F254 AromaticContact CD1-CE1 3.64Å; F113-F254 HydrophobicContact CD1-CE1 3.64Å; F113-F254 AromaticContact CD1-CZ 3.74Å; F113-F254 HydrophobicContact CD1-CZ 3.74Å; F113-F254 HydrophobicContact CD2-CZ 4.4Å; F113-F254 AromaticContact CE1-CE1 3.52Å; F113-F254 HydrophobicContact CE1-CE1 3.52Å; F113-F254 AromaticContact CE1-CZ 3.56Å; F113-F254 HydrophobicContact CE1-CZ 3.56Å; F113-F254 HydrophobicContact CE2-CZ 4.23Å; F113-F254 HydrophobicContact CG-CE1 4.42Å; F113-F254 HydrophobicContact CG-CZ 4.15Å; F113-F254 HydrophobicContact CZ-CE1 4.22Å; F113-F254 AromaticContact CZ-CZ 3.82Å; F113-F254 HydrophobicContact CZ-CZ 3.82Å; V114-F254 HydrophobicContact CB-CE2 4.1Å; V114-F254 HydrophobicContact CB-CZ 4.34Å; V114-F254 HydrophobicContact CG2-CE2 3.93Å; V114-F254 HydrophobicContact CG2-CZ 3.92Å; T249-F254 HydrophobicContact CG2-CB 4.46Å; T249-F254 HydrophobicContact CG2-CD1 3.51Å; T249-F254 HydrophobicContact CG2-CE1 3.91Å; T249-F254 HydrophobicContact CG2-CG 4.16Å; T249-F254 VanDerWaalsContact OG1-CD1 3.27Å; T249-F254 WeakPolarHBondContact OG1-CD1 3.38Å; N251-F254 HydrophobicContact CB-CB 3.98Å; N251-F254 PolarHBondContact O-N 3Å; N251-F254 PolarHBondContact OD1-N 2.89Å; F254-K256 VanDerWaalsContact C-N 3.3Å; F254-K256 PolarHBondContact O-N 2.78Å; F254-S257 WeakPolarHBondContact O-CB 3.47Å; F254-S257 PolarHBondContact O-N 2.67Å; F254-S257 VanDerWaalsContact O-N 3.13Å; F254-L258 HydrophobicContact CD1-CD1 4.41Å; F254-L258 HydrophobicContact CD2-CD1 3.92Å; F254-L258 HydrophobicContact CD2-CG 3.91Å; F254-L258 HydrophobicContact CE1-CD1 4.11Å; F254-L258 HydrophobicContact CE2-CD1 3.61Å; F254-L258 HydrophobicContact CE2-CD2 4.02Å; F254-L258 HydrophobicContact CE2-CG 3.68Å; F254-L258 HydrophobicContact CG-CD1 4.29Å; F254-L258 HydrophobicContact CZ-CD1 3.71Å; F254-L258 HydrophobicContact CZ-CG 4.27Å; F254-L258 WeakPolarHBondContact O-CB 3.23Å; F254-L258 WeakPolarHBondContact O-CG 3.35Å; F254-L258 PolarHBondContact O-N 3.23Å |
| 255 | L | 77.2 | Confident | 73.9 | Confident | 42 Ų | 42 | 71.8 Ų | 71.8 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59 | -37 | 173.8 | -172.5 | 134.6 | 0 | 0 | 0 | 113.1 | T249 N251 Q253 R259 | T249-L255 HydrophobicContact CG2-CB 3.89Å; T249-L255 HydrophobicContact CG2-CD1 4.33Å; N251-L255 VanDerWaalsContact O-CB 3.3Å; N251-L255 WeakPolarHBondContact O-CB 3.47Å; N251-L255 PolarHBondContact O-N 2.93Å; Q253-L255 PolarHBondContact O-N 2.81Å; L255-R259 WeakPolarHBondContact O-CB 3.45Å; L255-R259 WeakPolarHBondContact O-CG 3.46Å; L255-R259 PolarHBondContact O-N 3.08Å |
| 256 | K | 77.1 | Confident | 74.2 | Confident | 142 Ų | 142 | 71.5 Ų | 71.5 | 62% | 0.617 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -71.4 | -38.7 | 174.7 | -171.7 | 176.9 | -178.5 | -179.8 | 0 | 112 | P252 Q253 F254 N260 | P252-K256 VanDerWaalsContact O-CB 3.29Å; P252-K256 WeakPolarHBondContact O-CB 3.34Å; P252-K256 PolarHBondContact O-N 2.89Å; P252-K256 VanDerWaalsContact O-N 3.14Å; Q253-K256 WeakPolarHBondContact O-CB 3.47Å; Q253-K256 PolarHBondContact O-N 3.12Å; Q253-K256 VanDerWaalsContact O-N 3.15Å; F254-K256 VanDerWaalsContact C-N 3.3Å; F254-K256 PolarHBondContact O-N 2.78Å; K256-N260 WeakPolarHBondContact O-CB 3.48Å; K256-N260 PolarHBondContact O-N 3.17Å; K256-N260 VanDerWaalsContact O-N 3.13Å; K256-N260 PolarHBondContact O-ND2 3.15Å |
| 257 | S | 74.9 | Confident | 74.7 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 25% | 0.245 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.8 | -51.6 | 173.4 | -168 | 0 | 0 | 0 | 0 | 110.9 | S76 Q253 F254 R259 N260 G261 | S76-S257 WeakPolarHBondContact O-CB 3.27Å; S76-S257 PolarHBondContact O-OG 3.21Å; Q253-S257 PolarHBondContact O-N 3.45Å; F254-S257 WeakPolarHBondContact O-CB 3.47Å; F254-S257 PolarHBondContact O-N 2.67Å; F254-S257 VanDerWaalsContact O-N 3.13Å; S257-R259 PolarHBondContact O-N 2.79Å; S257-N260 PolarHBondContact O-N 3.42Å; S257-N260 VanDerWaalsContact O-N 3.16Å; S257-G261 PolarHBondContact O-N 3.08Å |
| 258 | L | 74.9 | Confident | 75.4 | Confident | 18 Ų | 18 | 63.5 Ų | 63.5 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.8 | -50.6 | 175.8 | -79.6 | 173.6 | 0 | 0 | 0 | 113 | V114 V224 I248 T249 F254 N260 G261 | V114-L258 HydrophobicContact CG2-CD2 4.13Å; V224-L258 HydrophobicContact CG1-CB 3.63Å; V224-L258 HydrophobicContact CG1-CD2 4.04Å; V224-L258 HydrophobicContact CG1-CG 4.28Å; I248-L258 HydrophobicContact CG2-CD1 4.09Å; T249-L258 HydrophobicContact CG2-CD1 4.2Å; F254-L258 HydrophobicContact CD1-CD1 4.41Å; F254-L258 HydrophobicContact CD2-CD1 3.92Å; F254-L258 HydrophobicContact CD2-CG 3.91Å; F254-L258 HydrophobicContact CE1-CD1 4.11Å; F254-L258 HydrophobicContact CE2-CD1 3.61Å; F254-L258 HydrophobicContact CE2-CD2 4.02Å; F254-L258 HydrophobicContact CE2-CG 3.68Å; F254-L258 HydrophobicContact CG-CD1 4.29Å; F254-L258 HydrophobicContact CZ-CD1 3.71Å; F254-L258 HydrophobicContact CZ-CG 4.27Å; F254-L258 WeakPolarHBondContact O-CB 3.23Å; F254-L258 WeakPolarHBondContact O-CG 3.35Å; F254-L258 PolarHBondContact O-N 3.23Å; L258-N260 VanDerWaalsContact C-N 3.28Å; L258-N260 PolarHBondContact O-N 3.48Å; L258-G261 PolarHBondContact O-N 3.49Å; L258-G261 VanDerWaalsContact O-N 3.17Å |
| 259 | R | 77.2 | Confident | 76 | Confident | 128 Ų | 128 | 63.5 Ų | 63.5 | 48% | 0.483 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.7 | -29.8 | 178.7 | -74.7 | 178.4 | 178.6 | -177.3 | 3.4 | 113.2 | K225 L255 S257 | K225-R259 WeakPolarHBondContact CD-O 3.35Å; K225-R259 WeakPolarHBondContact CE-O 3.43Å; K225-R259 PolarHBondContact NZ-O 2.94Å; L255-R259 WeakPolarHBondContact O-CB 3.45Å; L255-R259 WeakPolarHBondContact O-CG 3.46Å; L255-R259 PolarHBondContact O-N 3.08Å; S257-R259 PolarHBondContact O-N 2.79Å |
| 260 | N | 74.6 | Confident | 76.5 | Confident | 122 Ų | 122 | 63.2 Ų | 63.2 | 65% | 0.652 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -76.9 | -24.5 | 176 | -74.4 | -20.7 | 0 | 0 | 0 | 113.1 | K256 S257 L258 | K256-N260 WeakPolarHBondContact O-CB 3.48Å; K256-N260 PolarHBondContact O-N 3.17Å; K256-N260 VanDerWaalsContact O-N 3.13Å; K256-N260 PolarHBondContact O-ND2 3.15Å; S257-N260 PolarHBondContact O-N 3.42Å; S257-N260 VanDerWaalsContact O-N 3.16Å; L258-N260 VanDerWaalsContact C-N 3.28Å; L258-N260 PolarHBondContact O-N 3.48Å |
| 261 | G | 68.2 | Low | 77.3 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 26% | 0.258 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -60.1 | 167.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K225 S257 L258 | K225-G261 PolarHBondContact NZ-O 3Å; K225-G261 VanDerWaalsContact NZ-O 3.16Å; S257-G261 PolarHBondContact O-N 3.08Å; L258-G261 PolarHBondContact O-N 3.49Å; L258-G261 VanDerWaalsContact O-N 3.17Å |
| 262 | K | 70.6 | Confident | 77.9 | Confident | 195 Ų | 195 | 56.3 Ų | 56.3 | 85% | 0.848 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -77.5 | -19.9 | 174.4 | -67.3 | 172.7 | -176.9 | 160.2 | 0 | 113.2 | ||
| 263 | I | 72.3 | Confident | 78.6 | Confident | 80 Ų | 80 | 52 Ų | 52 | 41% | 0.41 | 25% | 0.25 | S | C | . | . | trans | -81.2 | 126.4 | -174.8 | -59.8 | 174.9 | 0 | 0 | 0 | 109.3 | Y265 | I263-Y265 WeakPolarHBondContact CG2-O 3.35Š| ||
| 264 | K | 76 | Confident | 79.3 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -94.2 | -35.8 | 177.8 | -174.1 | 169.7 | -168.9 | 156.4 | 0 | 113.3 | V224 S227 V237 | V224-K264 PolarHBondContact N-O 3.37Å; S227-K264 WeakPolarHBondContact OG-CE 3.47Å; S227-K264 PolarHBondContact OG-NZ 2.94Å; V237-K264 VanDerWaalsContact CB-NZ 3.27Å; V237-K264 VanDerWaalsContact CG1-NZ 3.27Å |
| 265 | Y | 80.7 | Confident | 79.6 | Confident | 25 Ų | 25 | 52 Ų | 52 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139.2 | -179.6 | -58 | -70.9 | 0 | 0 | 0 | 109.7 | V222 C223 C238 I263 T432 | V222-Y265 CarbonylContact O-C 3.54Å; V222-Y265 VanDerWaalsContact O-CA 3.26Å; V222-Y265 WeakPolarHBondContact O-CA 3.47Å; C223-Y265 HydrophobicContact CB-CD1 4.07Å; C223-Y265 HydrophobicContact CB-CE1 3.93Å; C238-Y265 WeakPolarHBondContact CA-OH 3.02Å; C238-Y265 HydrophobicContact CB-CE1 3.7Å; C238-Y265 WeakPolarHBondContact CB-OH 3.26Å; I263-Y265 WeakPolarHBondContact CG2-O 3.35Å; Y265-T432 WeakPolarHBondContact CD2-O 3.38Å |
| 266 | Y | 81.5 | Confident | 80 | Confident | 32 Ų | 32 | 50.1 Ų | 50.1 | 13% | 0.125 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.9 | 175.6 | -158.1 | -81.6 | 0 | 0 | 0 | 110.1 | F113 V114 E117 P221 V222 L268 | F113-Y266 HydrophobicContact CD2-CE1 4.14Å; F113-Y266 AromaticContact CE2-CD1 3.86Å; F113-Y266 HydrophobicContact CE2-CD1 3.86Å; F113-Y266 AromaticContact CE2-CE1 3.8Å; F113-Y266 HydrophobicContact CE2-CE1 3.8Å; F113-Y266 HydrophobicContact CE2-CG 4.39Å; V114-Y266 HydrophobicContact CB-CE2 4.46Å; V114-Y266 HydrophobicContact CG1-CE2 4.19Å; V114-Y266 HydrophobicContact CG2-CD2 4.21Å; V114-Y266 HydrophobicContact CG2-CE1 4.41Å; V114-Y266 HydrophobicContact CG2-CE2 3.55Å; E117-Y266 PolarHBondContact OE2-OH 3.46Å; P221-Y266 CarbonylContact C-O 3.41Å; P221-Y266 WeakPolarHBondContact CA-O 3.48Å; V222-Y266 PolarHBondContact N-O 2.98Å; V222-Y266 PolarHBondContact O-N 3.38Å; Y266-L268 HydrophobicContact CD1-CD2 4.21Å; Y266-L268 HydrophobicContact CD1-CG 4.28Å; Y266-L268 PolarHBondContact O-N 3.36Å |
| 267 | D | 82.7 | Confident | 80 | Confident | 56 Ų | 56 | 49 Ų | 49 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 102.9 | -180 | -67.4 | -36.4 | 0 | 0 | 0 | 110.5 | K219 P221 T432 | K219-D267 HydrophobicContact CB-CB 4.41Å; K219-D267 HydrophobicContact CD-CB 4.33Å; P221-D267 WeakPolarHBondContact CA-OD1 3.36Å; P221-D267 WeakPolarHBondContact CB-OD1 3.28Å; D267-T432 WeakPolarHBondContact OD1-CG2 3.11Å |
| 268 | L | 83.1 | Confident | 79.8 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 157.6 | 175.6 | -75.4 | 173.1 | 0 | 0 | 0 | 111 | F113 E146 K219 A220 V222 Y266 T270 | F113-L268 HydrophobicContact CD2-CD2 3.96Å; F113-L268 HydrophobicContact CE2-CD2 3.72Å; F113-L268 HydrophobicContact CZ-CD2 4.04Å; E146-L268 HydrophobicContact CG-CD1 4.34Å; K219-L268 CarbonylContact C-O 3.53Å; K219-L268 VanDerWaalsContact CA-O 3.27Å; K219-L268 WeakPolarHBondContact CA-O 3.42Å; A220-L268 PolarHBondContact N-O 2.88Å; A220-L268 PolarHBondContact O-N 3.4Å; V222-L268 HydrophobicContact CB-CD1 4.33Å; V222-L268 HydrophobicContact CG2-CB 4.41Å; V222-L268 HydrophobicContact CG2-CD1 4.02Å; Y266-L268 HydrophobicContact CD1-CD2 4.21Å; Y266-L268 HydrophobicContact CD1-CG 4.28Å; Y266-L268 PolarHBondContact O-N 3.36Å; L268-T270 PolarHBondContact O-N 3.31Å |
| 269 | P | 85.7 | Confident | 79.3 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.3 | 135.4 | 166.9 | -26.9 | 36.7 | 0 | 0 | 0 | 111.6 | V149 V150 P215 K271 Y398 | V149-P269 HydrophobicContact CG1-CB 3.99Å; V149-P269 HydrophobicContact CG1-CG 4.08Å; V150-P269 HydrophobicContact CG2-CG 4.26Å; P215-P269 WeakPolarHBondContact O-CB 3.49Å; P269-K271 PolarHBondContact O-N 3.2Å; P269-Y398 HydrophobicContact CB-CE1 4.09Å |
| 270 | T | 85.9 | Confident | 78.6 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 123.5 | -177.7 | -155.9 | 0 | 0 | 0 | 0 | 110.3 | I214 I218 L268 T272 R289 | I214-T270 HydrophobicContact CG2-CG2 3.64Å; I218-T270 HydrophobicContact CB-CG2 3.7Å; I218-T270 HydrophobicContact CG2-CG2 3.67Å; I218-T270 PolarHBondContact O-N 3.1Å; L268-T270 PolarHBondContact O-N 3.31Å; T270-T272 PolarHBondContact OG1-OG1 3.31Å; T270-R289 PolarHBondContact OG1-O 3.34Å; T270-R289 VanDerWaalsContact OG1-O 3.07Å |
| 271 | K | 84.2 | Confident | 78 | Confident | 28 Ų | 28 | 47.8 Ų | 47.8 | 12% | 0.122 | 27% | 0.268 | C | S | . | . | trans | -96.5 | -13.4 | 166.5 | 63.6 | 174.9 | -177.6 | 163.4 | 0 | 113.2 | P269 F273 P395 D396 Y398 | P269-K271 PolarHBondContact O-N 3.2Å; K271-F273 PolarHBondContact O-N 3.31Å; K271-P395 HydrophobicContact CB-CG 4.17Å; K271-P395 HydrophobicContact CD-CG 4.48Å; K271-P395 WeakPolarHBondContact CD-O 3.28Å; K271-P395 WeakPolarHBondContact CE-O 3.39Å; K271-P395 HydrophobicContact CG-CG 4.3Å; K271-P395 PolarHBondContact NZ-O 3.43Å; K271-P395 WeakPolarHBondContact O-CD 3.49Å; K271-P395 WeakPolarHBondContact O-CG 3.41Å; K271-D396 PolarHBondContact NZ-O 3.23Å; K271-Y398 HydrophobicContact CB-CD1 3.76Å; K271-Y398 HydrophobicContact CB-CE1 3.9Å; K271-Y398 HydrophobicContact CB-CG 4.28Å | ||
| 272 | T | 86.9 | Confident | 77.7 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | trans | -85.9 | 84.7 | -176.3 | 36.4 | 0 | 0 | 0 | 0 | 111.3 | T270 R289 W384 F393 V394 | T270-T272 PolarHBondContact OG1-OG1 3.31Å; T272-R289 PolarHBondContact O-N 3.25Å; T272-R289 VanDerWaalsContact O-N 3.09Å; T272-R289 WeakPolarHBondContact OG1-CB 3.5Å; T272-R289 WeakPolarHBondContact OG1-CD 3.33Å; T272-W384 HydrophobicContact CG2-CH2 4.03Å; T272-W384 HydrophobicContact CG2-CZ2 4.4Å; T272-F393 WeakPolarHBondContact CG2-O 3.27Å; T272-V394 HydrophobicContact CG2-CB 4.17Å; T272-V394 HydrophobicContact CG2-CG1 4.3Å; T272-V394 HydrophobicContact CG2-CG2 3.76Å | ||
| 273 | F | 89.1 | Confident | 77.9 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 162.2 | 170.1 | 68 | -81.2 | 0 | 0 | 0 | 110 | F211 I214 P215 K271 F287 I288 G400 L401 | F211-F273 HydrophobicContact CD1-CE2 4.33Å; I214-F273 HydrophobicContact CB-CD1 4.29Å; I214-F273 HydrophobicContact CB-CD2 4.38Å; I214-F273 HydrophobicContact CB-CE1 4.48Å; I214-F273 HydrophobicContact CB-CG 4.25Å; I214-F273 HydrophobicContact CD1-CB 4.25Å; I214-F273 HydrophobicContact CD1-CD2 3.68Å; I214-F273 HydrophobicContact CD1-CE2 4.25Å; I214-F273 HydrophobicContact CD1-CG 4.02Å; I214-F273 HydrophobicContact CG2-CB 4.02Å; I214-F273 HydrophobicContact CG2-CD1 3.7Å; I214-F273 HydrophobicContact CG2-CD2 4.37Å; I214-F273 HydrophobicContact CG2-CE1 4.29Å; I214-F273 HydrophobicContact CG2-CG 3.76Å; P215-F273 HydrophobicContact CG-CE1 3.71Å; P215-F273 HydrophobicContact CG-CZ 4.02Å; K271-F273 PolarHBondContact O-N 3.31Å; F273-F287 VanDerWaalsContact C-CZ 3.47Å; F273-F287 WeakPolarHBondContact CA-O 3.29Å; F273-I288 HydrophobicContact CB-CG1 4.48Å; F273-G400 WeakPolarHBondContact O-CA 3.29Å; F273-L401 PolarHBondContact O-N 2.86Å |
| 274 | G | 85 | Confident | 78.2 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.6 | -159.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | F287 L401 | G274-F287 VanDerWaalsContact C-CD1 3.4Å; G274-F287 PolarHBondContact N-O 3.38Å; G274-F287 WeakPolarHBondContact O-CD1 3.28Å; G274-F287 WeakPolarHBondContact O-CE1 3.44Å; G274-F287 PolarHBondContact O-N 2.64Å; G274-L401 VanDerWaalsContact CA-O 3.25Å; G274-L401 WeakPolarHBondContact CA-O 3.3Å |
| 275 | D | 84.8 | Confident | 78.6 | Confident | 65 Ų | 65 | 37 Ų | 37 | 35% | 0.348 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 155.7 | -179.7 | -53.6 | -16.9 | 0 | 0 | 0 | 110.1 | N286 S403 A404 | D275-N286 PolarHBondContact OD1-OD1 3.15Å; D275-S403 CarbonylContact O-C 3.5Å; D275-S403 WeakPolarHBondContact O-CA 3.36Å; D275-A404 PolarHBondContact O-N 3.33Å |
| 276 | I | 83.8 | Confident | 78.9 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.2 | 177.2 | -48.1 | 178.6 | 0 | 0 | 0 | 109.9 | L278 P285 F287 F393 A404 F406 Y426 | I276-L278 HydrophobicContact CG2-CD2 4.45Å; I276-L278 PolarHBondContact O-N 3.47Å; I276-P285 HydrophobicContact CB-CG 4.09Å; I276-P285 PolarHBondContact N-O 2.96Å; I276-P285 WeakPolarHBondContact O-CD 3.41Å; I276-F287 HydrophobicContact CD1-CB 4.29Å; I276-F287 HydrophobicContact CD1-CD1 4.28Å; I276-F287 HydrophobicContact CG1-CB 4.42Å; I276-F287 HydrophobicContact CG1-CD1 3.59Å; I276-F287 HydrophobicContact CG1-CE1 4.28Å; I276-F287 HydrophobicContact CG1-CG 4.35Å; I276-F393 HydrophobicContact CD1-CE1 3.68Å; I276-F393 HydrophobicContact CD1-CZ 4.34Å; I276-F393 HydrophobicContact CG1-CE1 4.02Å; I276-A404 CarbonylContact C-O 3.58Å; I276-A404 WeakPolarHBondContact CA-O 3.28Å; I276-A404 VanDerWaalsContact CG2-O 3.29Å; I276-A404 WeakPolarHBondContact CG2-O 3.43Å; I276-F406 HydrophobicContact CG2-CB 3.71Å; I276-Y426 HydrophobicContact CD1-CD2 3.62Å; I276-Y426 HydrophobicContact CD1-CE2 3.53Å; I276-Y426 HydrophobicContact CD1-CG 4.3Å |
| 277 | E | 77.1 | Confident | 79.4 | Confident | 117 Ų | 117 | 36.3 Ų | 36.3 | 55% | 0.547 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 104.6 | 165.8 | -100.5 | 170.4 | -121 | 0 | 0 | 110 | S403 A404 T405 F406 | E277-S403 VanDerWaalsContact CB-OG 3.28Å; E277-S403 WeakPolarHBondContact CB-OG 3.33Å; E277-S403 WeakPolarHBondContact CG-OG 3.26Å; E277-S403 WeakPolarHBondContact OE1-CB 3.46Å; E277-S403 PolarHBondContact OE1-OG 3.46Å; E277-A404 PolarHBondContact N-O 2.93Å; E277-T405 HydrophobicContact CB-CG2 4.25Å; E277-F406 PolarHBondContact O-N 3.28Å |
| 278 | L | 71.5 | Confident | 79.8 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | trans | -79.1 | 134.8 | 171.1 | -68.2 | 174.4 | 0 | 0 | 0 | 110.4 | I276 T280 G281 Y283 P285 P421 | I276-L278 HydrophobicContact CG2-CD2 4.45Å; I276-L278 PolarHBondContact O-N 3.47Å; L278-T280 PolarHBondContact O-N 2.82Å; L278-G281 PolarHBondContact O-N 3.47Å; L278-Y283 HydrophobicContact CD1-CE2 4.32Å; L278-P285 HydrophobicContact CD1-CG 3.89Å; L278-P285 HydrophobicContact CG-CG 4.14Å; L278-P421 WeakPolarHBondContact CD1-O 3.36Å; L278-P421 HydrophobicContact CD2-CB 3.9Å; L278-P421 VanDerWaalsContact CD2-O 3.28Å; L278-P421 WeakPolarHBondContact CD2-O 3.42Å | ||
| 279 | P | 65.1 | Low | 80.2 | Confident | 113 Ų | 113 | 34.4 Ų | 34.4 | 73% | 0.734 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -14.3 | 175.8 | -26.4 | 34.1 | 0 | 0 | 0 | 115.2 | F406 | P279-F406 WeakPolarHBondContact CD-O 3.5Å; P279-F406 WeakPolarHBondContact CG-O 3.32Å |
| 280 | T | 61.7 | Low | 80.5 | Confident | 78 Ų | 78 | 33.8 Ų | 33.8 | 48% | 0.479 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -1.1 | -179.3 | 55.7 | 0 | 0 | 0 | 0 | 114.9 | L278 A282 K365 | L278-T280 PolarHBondContact O-N 2.82Å; T280-A282 PolarHBondContact O-N 3.34Å; T280-K365 PolarHBondContact OG1-NZ 3.08Å |
| 281 | G | 61.8 | Low | 80.6 | Confident | 72 Ų | 72 | 34.1 Ų | 34.1 | 74% | 0.742 | 21% | 0.214 | S | C | * | . | trans | 55.8 | 21.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | L278 | L278-G281 PolarHBondContact O-N 3.47Š| ||
| 282 | A | 62.6 | Low | 80.7 | Confident | 39 Ų | 39 | 34 Ų | 34 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -86.7 | -34.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.5 | T280 Q369 | T280-A282 PolarHBondContact O-N 3.34Å; A282-Q369 HydrophobicContact CB-CG 4.27Å |
| 283 | Y | 74.7 | Confident | 80.5 | Confident | 23 Ų | 23 | 39.5 Ų | 39.5 | 9% | 0.09 | 24% | 0.24 | C | C | . | . | trans | -166.8 | 159.4 | 177.7 | 47.4 | -90.7 | 0 | 0 | 0 | 108 | L278 P285 K365 I368 E373 N422 T424 | L278-Y283 HydrophobicContact CD1-CE2 4.32Å; Y283-P285 WeakPolarHBondContact O-CD 3.49Å; Y283-K365 HydrophobicContact CE1-CG 4.46Å; Y283-I368 HydrophobicContact CD1-CD1 4.42Å; Y283-I368 HydrophobicContact CD1-CG2 3.84Å; Y283-I368 HydrophobicContact CE1-CB 4.36Å; Y283-I368 HydrophobicContact CE1-CD1 4.09Å; Y283-I368 HydrophobicContact CE1-CG2 4.17Å; Y283-E373 WeakPolarHBondContact CB-OE1 3.31Å; Y283-N422 PolarHBondContact OH-O 3.45Å; Y283-T424 HydrophobicContact CD2-CG2 4.34Å; Y283-T424 HydrophobicContact CE2-CG2 3.97Å | ||
| 284 | S | 77.4 | Confident | 80.3 | Confident | 71 Ų | 71 | 40.3 Ų | 40.3 | 50% | 0.497 | 25% | 0.246 | S | C | . | . | trans | -105 | 101.5 | 178.5 | 49.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 285 | P | 84.9 | Confident | 80.2 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | trans | -78.4 | 138 | -177.3 | 30.3 | -36.4 | 0 | 0 | 0 | 113 | I276 L278 Y283 L423 T424 Y426 | I276-P285 HydrophobicContact CB-CG 4.09Å; I276-P285 PolarHBondContact N-O 2.96Å; I276-P285 WeakPolarHBondContact O-CD 3.41Å; L278-P285 HydrophobicContact CD1-CG 3.89Å; L278-P285 HydrophobicContact CG-CG 4.14Å; Y283-P285 WeakPolarHBondContact O-CD 3.49Å; P285-L423 WeakPolarHBondContact CB-O 3.22Å; P285-T424 WeakPolarHBondContact CA-O 3.48Å; P285-T424 VanDerWaalsContact CB-C 3.43Å; P285-T424 WeakPolarHBondContact CB-O 3.41Å; P285-Y426 HydrophobicContact CB-CD2 4.24Å; P285-Y426 HydrophobicContact CB-CE2 3.81Å; P285-Y426 HydrophobicContact CG-CE2 3.8Å | ||
| 286 | N | 88.4 | Confident | 80 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 141.3 | -178.3 | -56.4 | -6.9 | 0 | 0 | 0 | 110.3 | D275 W307 T424 Q425 Y426 | D275-N286 PolarHBondContact OD1-OD1 3.15Å; N286-W307 HydrophobicContact CB-CD2 4.47Å; N286-W307 HydrophobicContact CB-CZ2 4.22Å; N286-T424 PolarHBondContact N-O 3.1Å; N286-Q425 CarbonylContact O-C 3.43Å; N286-Q425 WeakPolarHBondContact O-CA 3.12Å; N286-Y426 PolarHBondContact O-N 2.99Å |
| 287 | F | 90.9 | Very high | 79.9 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 146.7 | 174.5 | 76.5 | -89.4 | 0 | 0 | 0 | 113.1 | F273 G274 I276 F393 L401 A404 Y426 F428 | F273-F287 VanDerWaalsContact C-CZ 3.47Å; F273-F287 WeakPolarHBondContact CA-O 3.29Å; G274-F287 VanDerWaalsContact C-CD1 3.4Å; G274-F287 PolarHBondContact N-O 3.38Å; G274-F287 WeakPolarHBondContact O-CD1 3.28Å; G274-F287 WeakPolarHBondContact O-CE1 3.44Å; G274-F287 PolarHBondContact O-N 2.64Å; I276-F287 HydrophobicContact CD1-CB 4.29Å; I276-F287 HydrophobicContact CD1-CD1 4.28Å; I276-F287 HydrophobicContact CG1-CB 4.42Å; I276-F287 HydrophobicContact CG1-CD1 3.59Å; I276-F287 HydrophobicContact CG1-CE1 4.28Å; I276-F287 HydrophobicContact CG1-CG 4.35Å; F287-F393 HydrophobicContact CD1-CD1 4.26Å; F287-F393 HydrophobicContact CD2-CB 4.3Å; F287-F393 HydrophobicContact CD2-CD1 4.2Å; F287-F393 HydrophobicContact CE1-CD1 4.13Å; F287-F393 HydrophobicContact CE2-CB 3.74Å; F287-F393 HydrophobicContact CE2-CD1 4.08Å; F287-F393 HydrophobicContact CE2-CG 4.32Å; F287-F393 HydrophobicContact CG-CD1 4.29Å; F287-F393 HydrophobicContact CZ-CB 4.14Å; F287-F393 HydrophobicContact CZ-CD1 4.04Å; F287-L401 HydrophobicContact CZ-CB 4.49Å; F287-L401 HydrophobicContact CZ-CD1 4.47Å; F287-A404 HydrophobicContact CE1-CB 4.02Å; F287-A404 HydrophobicContact CZ-CB 4.48Å; F287-Y426 WeakPolarHBondContact CA-O 3.34Å; F287-F428 HydrophobicContact CB-CE2 3.88Å; F287-F428 HydrophobicContact CB-CZ 4.32Å; F287-F428 HydrophobicContact CD2-CD2 4.27Å; F287-F428 AromaticContact CD2-CE2 3.79Å; F287-F428 HydrophobicContact CD2-CE2 3.79Å; F287-F428 HydrophobicContact CG-CE2 4.13Å |
| 288 | I | 91.6 | Very high | 80.4 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 138.2 | 174 | -168.6 | 170.9 | 0 | 0 | 0 | 111.2 | I214 I218 F273 V290 I302 W307 Y426 I427 F428 | I214-I288 HydrophobicContact CG2-CD1 4.07Å; I214-I288 HydrophobicContact CG2-CG1 4.46Å; I218-I288 HydrophobicContact CG1-CD1 4.26Å; I218-I288 HydrophobicContact CG2-CD1 4.47Å; F273-I288 HydrophobicContact CB-CG1 4.48Å; I288-V290 HydrophobicContact CD1-CG1 4.32Å; I288-V290 HydrophobicContact CG1-CG1 4.15Å; I288-V290 HydrophobicContact CG2-CG1 4.21Å; I288-I302 HydrophobicContact CD1-CD1 3.93Å; I288-W307 HydrophobicContact CB-CZ2 4.34Å; I288-W307 HydrophobicContact CG2-CH2 3.94Å; I288-W307 HydrophobicContact CG2-CZ2 3.77Å; I288-Y426 PolarHBondContact N-O 3.34Å; I288-I427 HydrophobicContact CG2-CG1 4.4Å; I288-F428 PolarHBondContact O-N 3.11Å |
| 289 | R | 91.8 | Very high | 81.2 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.4 | 170.3 | -170.3 | -174.5 | 173.1 | -153.9 | -4.7 | 111.1 | I218 A220 P221 T270 T272 W384 F428 D430 | I218-R289 WeakPolarHBondContact CG2-O 2.79Å; A220-R289 HydrophobicContact CB-CG 4.09Å; P221-R289 PolarHBondContact O-NH2 3.16Å; T270-R289 PolarHBondContact OG1-O 3.34Å; T270-R289 VanDerWaalsContact OG1-O 3.07Å; T272-R289 PolarHBondContact O-N 3.25Å; T272-R289 VanDerWaalsContact O-N 3.09Å; T272-R289 WeakPolarHBondContact OG1-CB 3.5Å; T272-R289 WeakPolarHBondContact OG1-CD 3.33Å; R289-W384 HydrophobicContact CG-CD2 4.17Å; R289-W384 HydrophobicContact CG-CE3 4.26Å; R289-W384 HydrophobicContact CG-CG 4.35Å; R289-W384 VanDerWaalsContact NE-CD1 3.31Å; R289-F428 CarbonylContact C-O 3.5Å; R289-F428 WeakPolarHBondContact CA-O 3.32Å; R289-F428 HydrophobicContact CB-CB 4.25Å; R289-F428 HydrophobicContact CG-CB 4.24Å; R289-D430 IonicContact CZ-OD2 2.69Å; R289-D430 IonicContact NE-OD2 3.07Å; R289-D430 IonicContact NH2-OD2 2.67Å; R289-D430 PolarHBondContact NH2-OD2 3.08Å |
| 290 | V | 91.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 162.1 | -174.3 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | I218 I288 M299 I427 F428 V429 D430 F443 | I218-V290 HydrophobicContact CG2-CG1 4.01Å; I288-V290 HydrophobicContact CD1-CG1 4.32Å; I288-V290 HydrophobicContact CG1-CG1 4.15Å; I288-V290 HydrophobicContact CG2-CG1 4.21Å; V290-M299 HydrophobicContact CG1-SD 4.4Å; V290-I427 HydrophobicContact CG1-CG2 4.48Å; V290-I427 HydrophobicContact CG2-CG2 3.51Å; V290-F428 PolarHBondContact N-O 3.05Å; V290-V429 HydrophobicContact CG2-CG2 4.28Å; V290-D430 PolarHBondContact O-N 2.89Å; V290-F443 HydrophobicContact CG2-CE1 4.32Å; V290-F443 HydrophobicContact CG2-CE2 4.43Å; V290-F443 HydrophobicContact CG2-CZ 3.93Å |
| 291 | S | 89 | Confident | 83.2 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.063 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 151.8 | 174.4 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | K219 Q293 T294 D430 | K219-S291 PolarHBondContact O-N 3.36Å; S291-Q293 PolarHBondContact O-N 2.76Å; S291-Q293 PolarHBondContact OG-N 3.44Å; S291-T294 PolarHBondContact N-OG1 3.35Å; S291-T294 VanDerWaalsContact N-OG1 3.08Å; S291-T294 WeakPolarHBondContact O-CB 3.47Å; S291-T294 PolarHBondContact O-N 3.34Å; S291-T294 PolarHBondContact O-OG1 3.14Å; S291-T294 VanDerWaalsContact O-OG1 3.12Å; S291-D430 CarbonylContact C-O 3.57Å; S291-D430 WeakPolarHBondContact CA-O 3.36Å |
| 292 | D | 85.2 | Confident | 84.4 | Confident | 26 Ų | 26 | 39.9 Ų | 39.9 | 14% | 0.139 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -8.7 | 171.8 | 80.2 | -34 | 0 | 0 | 0 | 114 | V429 D430 T431 K433 | D292-V429 HydrophobicContact CB-CG1 4.12Å; D292-D430 PolarHBondContact N-O 3.46Å; D292-T431 VanDerWaalsContact CG-OG1 3.25Å; D292-T431 PolarHBondContact OD2-OG1 2.8Å; D292-K433 IonicContact OD2-NZ 2.88Å; D292-K433 PolarHBondContact OD2-NZ 3.46Å |
| 293 | Q | 82.8 | Confident | 85.6 | Confident | 115 Ų | 115 | 38.2 Ų | 38.2 | 54% | 0.537 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 11.5 | 178.3 | -71.2 | 161.4 | 69.1 | 0 | 0 | 113.4 | S291 D295 T432 | S291-Q293 PolarHBondContact O-N 2.76Å; S291-Q293 PolarHBondContact OG-N 3.44Å; Q293-D295 PolarHBondContact O-N 3.43Å; Q293-T432 PolarHBondContact NE2-OG1 2.8Å |
| 294 | T | 84.9 | Confident | 86 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | trans | -63.8 | 132.3 | 178.4 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | I218 S291 M299 | I218-T294 HydrophobicContact CD1-CG2 4.18Å; S291-T294 PolarHBondContact N-OG1 3.35Å; S291-T294 VanDerWaalsContact N-OG1 3.08Å; S291-T294 WeakPolarHBondContact O-CB 3.47Å; S291-T294 PolarHBondContact O-N 3.34Å; S291-T294 PolarHBondContact O-OG1 3.14Å; S291-T294 VanDerWaalsContact O-OG1 3.12Å; T294-M299 HydrophobicContact CG2-SD 4.5Å | ||
| 295 | D | 83.4 | Confident | 86.2 | Confident | 108 Ų | 108 | 43 Ų | 43 | 58% | 0.578 | 22% | 0.217 | S | C | * | . | trans | -61 | 135.1 | -177.1 | -75.4 | -51.1 | 0 | 0 | 0 | 112.8 | Q293 E297 N298 | Q293-D295 PolarHBondContact O-N 3.43Å; D295-E297 VanDerWaalsContact C-N 3.28Å; D295-E297 PolarHBondContact O-N 3.45Å; D295-N298 WeakPolarHBondContact O-CB 3.23Å; D295-N298 PolarHBondContact O-N 2.67Å | ||
| 296 | P | 80.3 | Confident | 86.1 | Confident | 62 Ų | 62 | 44.7 Ų | 44.7 | 40% | 0.403 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.3 | -28.3 | -174.8 | 22.8 | -33.6 | 0 | 0 | 0 | 114.3 | N298 M299 M300 I450 | P296-N298 VanDerWaalsContact C-N 3.34Å; P296-M299 PolarHBondContact O-N 3.05Å; P296-M300 PolarHBondContact O-N 3.06Å; P296-I450 HydrophobicContact CB-CD1 3.27Å; P296-I450 HydrophobicContact CB-CG1 3.99Å |
| 297 | E | 81.8 | Confident | 85.9 | Confident | 160 Ų | 160 | 44.1 Ų | 44.1 | 75% | 0.748 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -69.8 | -31.1 | 178.9 | -62.9 | -173.8 | 174.7 | 0 | 0 | 112.4 | D295 M299 M300 H301 | D295-E297 VanDerWaalsContact C-N 3.28Å; D295-E297 PolarHBondContact O-N 3.45Å; E297-M299 VanDerWaalsContact C-N 3.29Å; E297-M299 PolarHBondContact O-N 3Å; E297-M300 WeakPolarHBondContact O-CB 3.29Å; E297-M300 PolarHBondContact O-N 3.38Å; E297-H301 PolarHBondContact O-N 3.06Å; E297-H301 VanDerWaalsContact O-N 3.11Å |
| 298 | N | 86.6 | Confident | 85.6 | Confident | 45 Ų | 45 | 50 Ų | 50 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -34.9 | 175.3 | -68 | -26.8 | 0 | 0 | 0 | 111.2 | W213 I218 D295 P296 H301 I302 | W213-N298 HydrophobicContact CH2-CB 4.28Å; I218-N298 HydrophobicContact CD1-CB 4.39Å; D295-N298 WeakPolarHBondContact O-CB 3.23Å; D295-N298 PolarHBondContact O-N 2.67Å; P296-N298 VanDerWaalsContact C-N 3.34Å; N298-H301 WeakPolarHBondContact O-CB 3.42Å; N298-H301 PolarHBondContact O-N 3.31Å; N298-I302 WeakPolarHBondContact O-CG1 3.35Å; N298-I302 PolarHBondContact O-N 3.13Å |
| 299 | M | 88.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 174 | -60.9 | -54.4 | -55.4 | 0 | 0 | 112 | V290 T294 P296 E297 H301 I302 F303 I427 F443 | V290-M299 HydrophobicContact CG1-SD 4.4Å; T294-M299 HydrophobicContact CG2-SD 4.5Å; P296-M299 PolarHBondContact O-N 3.05Å; E297-M299 VanDerWaalsContact C-N 3.29Å; E297-M299 PolarHBondContact O-N 3Å; M299-H301 VanDerWaalsContact C-N 3.31Å; M299-H301 PolarHBondContact O-N 3.22Å; M299-I302 HydrophobicContact CE-CD1 4.34Å; M299-I302 WeakPolarHBondContact O-CB 3.48Å; M299-I302 PolarHBondContact O-N 3.01Å; M299-I302 HydrophobicContact SD-CD1 3.91Å; M299-F303 HydrophobicContact CB-CE2 4.17Å; M299-F303 HydrophobicContact CB-CZ 4.4Å; M299-F303 HydrophobicContact CE-CE1 4.28Å; M299-F303 HydrophobicContact CE-CZ 4.09Å; M299-F303 WeakPolarHBondContact O-CD2 3.4Å; M299-F303 VanDerWaalsContact O-CG 3.26Å; M299-F303 WeakPolarHBondContact O-CG 3.26Å; M299-F303 PolarHBondContact O-N 3.25Å; M299-I427 HydrophobicContact CE-CD1 3.7Å; M299-I427 HydrophobicContact CE-CG1 4.28Å; M299-I427 HydrophobicContact CE-CG2 4.43Å; M299-F443 HydrophobicContact CE-CZ 4.39Å; M299-F443 HydrophobicContact CG-CZ 4.2Å; M299-F443 HydrophobicContact SD-CZ 4.06Å |
| 300 | M | 84.4 | Confident | 84.7 | Confident | 36 Ų | 36 | 52 Ų | 52 | 18% | 0.177 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.1 | -35.8 | 174.9 | -64.3 | -64 | -71 | 0 | 0 | 112.6 | P296 E297 F303 T304 I450 W454 | P296-M300 PolarHBondContact O-N 3.06Å; E297-M300 WeakPolarHBondContact O-CB 3.29Å; E297-M300 PolarHBondContact O-N 3.38Å; M300-F303 HydrophobicContact SD-CD2 4.34Å; M300-T304 WeakPolarHBondContact O-CB 3.05Å; M300-T304 WeakPolarHBondContact O-CG2 3.34Å; M300-T304 PolarHBondContact O-N 3.27Å; M300-T304 VanDerWaalsContact O-N 3.11Å; M300-T304 PolarHBondContact O-OG1 3.35Å; M300-I450 HydrophobicContact CE-CG2 4.24Å; M300-I450 HydrophobicContact CG-CG2 3.9Å; M300-I450 HydrophobicContact SD-CG2 3.53Å; M300-I450 VanDerWaalsContact SD-CG2 3.53Å; M300-W454 HydrophobicContact CE-CD2 3.53Å; M300-W454 VanDerWaalsContact CE-CE2 3.4Å; M300-W454 HydrophobicContact CE-CE3 3.89Å; M300-W454 HydrophobicContact CE-CG 3.93Å; M300-W454 HydrophobicContact CE-CH2 4.02Å; M300-W454 HydrophobicContact CE-CZ2 3.67Å; M300-W454 HydrophobicContact CE-CZ3 4.12Å |
| 301 | H | 85.4 | Confident | 84.3 | Confident | 54 Ų | 54 | 55.5 Ų | 55.5 | 25% | 0.25 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 172.9 | -161.9 | 94.5 | 0 | 0 | 0 | 111.9 | W213 E297 N298 M299 T304 K305 I306 | W213-H301 AromaticContact CZ2-CD2 3.84Å; E297-H301 PolarHBondContact O-N 3.06Å; E297-H301 VanDerWaalsContact O-N 3.11Å; N298-H301 WeakPolarHBondContact O-CB 3.42Å; N298-H301 PolarHBondContact O-N 3.31Å; M299-H301 VanDerWaalsContact C-N 3.31Å; M299-H301 PolarHBondContact O-N 3.22Å; H301-T304 PolarHBondContact O-N 3.41Å; H301-K305 WeakPolarHBondContact O-CB 3.43Å; H301-K305 PolarHBondContact O-N 3.23Å; H301-I306 PolarHBondContact O-N 3.05Å |
| 302 | I | 87.2 | Confident | 84.1 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -57.4 | -53.6 | 174.2 | -69.9 | 158.6 | 0 | 0 | 0 | 110.2 | W213 I218 I288 N298 M299 T304 I306 W307 | W213-I302 HydrophobicContact CZ3-CG1 4.16Å; I218-I302 HydrophobicContact CD1-CD1 4.4Å; I288-I302 HydrophobicContact CD1-CD1 3.93Å; N298-I302 WeakPolarHBondContact O-CG1 3.35Å; N298-I302 PolarHBondContact O-N 3.13Å; M299-I302 HydrophobicContact CE-CD1 4.34Å; M299-I302 WeakPolarHBondContact O-CB 3.48Å; M299-I302 PolarHBondContact O-N 3.01Å; M299-I302 HydrophobicContact SD-CD1 3.91Å; I302-T304 PolarHBondContact O-N 3.33Å; I302-I306 HydrophobicContact CG1-CD1 4.03Å; I302-I306 PolarHBondContact O-N 3.13Å; I302-I306 VanDerWaalsContact O-N 3.16Å; I302-W307 HydrophobicContact CG2-CD2 3.56Å; I302-W307 HydrophobicContact CG2-CE3 3.83Å; I302-W307 HydrophobicContact CG2-CG 4.09Å; I302-W307 HydrophobicContact CG2-CH2 4.14Å; I302-W307 HydrophobicContact CG2-CZ2 3.87Å; I302-W307 HydrophobicContact CG2-CZ3 4.12Å; I302-W307 PolarHBondContact O-N 3.46Å |
| 303 | F | 88 | Confident | 84 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -60.6 | -42 | -178.4 | -59.1 | -37.2 | 0 | 0 | 0 | 113.2 | M299 M300 W307 N308 L309 W346 I379 I427 | M299-F303 HydrophobicContact CB-CE2 4.17Å; M299-F303 HydrophobicContact CB-CZ 4.4Å; M299-F303 HydrophobicContact CE-CE1 4.28Å; M299-F303 HydrophobicContact CE-CZ 4.09Å; M299-F303 WeakPolarHBondContact O-CD2 3.4Å; M299-F303 VanDerWaalsContact O-CG 3.26Å; M299-F303 WeakPolarHBondContact O-CG 3.26Å; M299-F303 PolarHBondContact O-N 3.25Å; M300-F303 HydrophobicContact SD-CD2 4.34Å; F303-W307 AromaticContact CD1-CE3 3.84Å; F303-W307 HydrophobicContact CD1-CE3 3.84Å; F303-W307 HydrophobicContact CD1-CZ3 4.01Å; F303-W307 HydrophobicContact CE1-CE3 4.18Å; F303-W307 AromaticContact CE1-CZ3 3.85Å; F303-W307 HydrophobicContact CE1-CZ3 3.85Å; F303-N308 PolarHBondContact O-N 3.12Å; F303-L309 HydrophobicContact CB-CD1 4.21Å; F303-L309 HydrophobicContact CD1-CD1 4.04Å; F303-L309 HydrophobicContact CG-CD1 4.46Å; F303-L309 WeakPolarHBondContact O-CB 3.39Å; F303-L309 WeakPolarHBondContact O-CG 3.41Å; F303-L309 PolarHBondContact O-N 3.05Å; F303-W346 HydrophobicContact CB-CH2 4.09Å; F303-W346 HydrophobicContact CD2-CH2 4.19Å; F303-W346 HydrophobicContact CD2-CZ3 4.16Å; F303-W346 HydrophobicContact CE2-CZ3 4.4Å; F303-W346 HydrophobicContact CG-CH2 4.07Å; F303-W346 HydrophobicContact CG-CZ3 4.35Å; F303-I379 HydrophobicContact CE1-CD1 4.23Å; F303-I427 HydrophobicContact CE1-CD1 4.32Å; F303-I427 HydrophobicContact CZ-CD1 4.39Å |
| 304 | T | 82.5 | Confident | 84.2 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 34% | 0.344 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -90.7 | -31.8 | -171.6 | 54.5 | 0 | 0 | 0 | 0 | 115 | M300 H301 I302 W454 | M300-T304 WeakPolarHBondContact O-CB 3.05Å; M300-T304 WeakPolarHBondContact O-CG2 3.34Å; M300-T304 PolarHBondContact O-N 3.27Å; M300-T304 VanDerWaalsContact O-N 3.11Å; M300-T304 PolarHBondContact O-OG1 3.35Å; H301-T304 PolarHBondContact O-N 3.41Å; I302-T304 PolarHBondContact O-N 3.33Å; T304-W454 HydrophobicContact CG2-CH2 3.95Å; T304-W454 HydrophobicContact CG2-CZ2 3.71Å |
| 305 | K | 81.9 | Confident | 84.5 | Confident | 139 Ų | 139 | 49.5 Ų | 49.5 | 60% | 0.604 | 25% | 0.25 | S | C | * | . | I | π-helix | trans | -110.6 | -39.7 | -175.7 | -60.7 | -148.9 | -171.6 | -171.9 | 0 | 114.2 | H301 | H301-K305 WeakPolarHBondContact O-CB 3.43Å; H301-K305 PolarHBondContact O-N 3.23Å |
| 306 | I | 81.5 | Confident | 84.9 | Confident | 35 Ų | 35 | 44.4 Ų | 44.4 | 18% | 0.179 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -87.4 | -44.6 | -174.2 | -53.8 | -176.5 | 0 | 0 | 0 | 110.5 | W213 I214 H301 I302 | W213-I306 HydrophobicContact CD2-CD1 4.08Å; W213-I306 HydrophobicContact CE3-CD1 3.46Å; W213-I306 VanDerWaalsContact CE3-CD1 3.46Å; W213-I306 HydrophobicContact CZ3-CD1 3.78Å; I214-I306 HydrophobicContact CD1-CG2 4.48Å; I214-I306 HydrophobicContact CG1-CD1 4.4Å; H301-I306 PolarHBondContact O-N 3.05Å; I302-I306 HydrophobicContact CG1-CD1 4.03Å; I302-I306 PolarHBondContact O-N 3.13Å; I302-I306 VanDerWaalsContact O-N 3.16Å |
| 307 | W | 85.1 | Confident | 85.4 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 11% | 0.106 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -97.5 | -6.2 | 177.7 | -61.9 | -13.1 | 0 | 0 | 0 | 113.6 | N286 I288 I302 F303 L309 Q425 I427 | N286-W307 HydrophobicContact CB-CD2 4.47Å; N286-W307 HydrophobicContact CB-CZ2 4.22Å; I288-W307 HydrophobicContact CB-CZ2 4.34Å; I288-W307 HydrophobicContact CG2-CH2 3.94Å; I288-W307 HydrophobicContact CG2-CZ2 3.77Å; I302-W307 HydrophobicContact CG2-CD2 3.56Å; I302-W307 HydrophobicContact CG2-CE3 3.83Å; I302-W307 HydrophobicContact CG2-CG 4.09Å; I302-W307 HydrophobicContact CG2-CH2 4.14Å; I302-W307 HydrophobicContact CG2-CZ2 3.87Å; I302-W307 HydrophobicContact CG2-CZ3 4.12Å; I302-W307 PolarHBondContact O-N 3.46Å; F303-W307 AromaticContact CD1-CE3 3.84Å; F303-W307 HydrophobicContact CD1-CE3 3.84Å; F303-W307 HydrophobicContact CD1-CZ3 4.01Å; F303-W307 HydrophobicContact CE1-CE3 4.18Å; F303-W307 AromaticContact CE1-CZ3 3.85Å; F303-W307 HydrophobicContact CE1-CZ3 3.85Å; W307-L309 VanDerWaalsContact C-N 3.29Å; W307-L309 HydrophobicContact CB-CD1 4.36Å; W307-L309 HydrophobicContact CB-CD2 4.1Å; W307-L309 HydrophobicContact CB-CG 3.91Å; W307-L309 HydrophobicContact CE3-CD1 4.26Å; W307-L309 WeakPolarHBondContact O-CD2 3.22Å; W307-L309 PolarHBondContact O-N 3.03Å; W307-Q425 HydrophobicContact CD2-CG 4.34Å; W307-Q425 HydrophobicContact CE3-CB 4.34Å; W307-Q425 HydrophobicContact CE3-CG 3.74Å; W307-Q425 HydrophobicContact CH2-CB 4.17Å; W307-Q425 HydrophobicContact CH2-CG 4.36Å; W307-Q425 HydrophobicContact CZ3-CB 3.82Å; W307-Q425 HydrophobicContact CZ3-CG 3.75Å; W307-I427 HydrophobicContact CH2-CG1 4.03Å; W307-I427 HydrophobicContact CZ3-CG1 4.49Å |
| 308 | N | 84.1 | Confident | 85.8 | Confident | 127 Ų | 127 | 34 Ų | 34 | 68% | 0.679 | 17% | 0.168 | S | C | * | . | trans | 50.8 | 39.9 | 174.7 | -167.9 | 31.5 | 0 | 0 | 0 | 115 | F303 | F303-N308 PolarHBondContact O-N 3.12Š| ||
| 309 | L | 84 | Confident | 85.9 | Confident | 21 Ų | 21 | 31.9 Ų | 31.9 | 11% | 0.11 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 140.2 | -175.3 | -52.7 | 179.1 | 0 | 0 | 0 | 112.1 | F303 W307 W346 E377 Q425 | F303-L309 HydrophobicContact CB-CD1 4.21Å; F303-L309 HydrophobicContact CD1-CD1 4.04Å; F303-L309 HydrophobicContact CG-CD1 4.46Å; F303-L309 WeakPolarHBondContact O-CB 3.39Å; F303-L309 WeakPolarHBondContact O-CG 3.41Å; F303-L309 PolarHBondContact O-N 3.05Å; W307-L309 VanDerWaalsContact C-N 3.29Å; W307-L309 HydrophobicContact CB-CD1 4.36Å; W307-L309 HydrophobicContact CB-CD2 4.1Å; W307-L309 HydrophobicContact CB-CG 3.91Å; W307-L309 HydrophobicContact CE3-CD1 4.26Å; W307-L309 WeakPolarHBondContact O-CD2 3.22Å; W307-L309 PolarHBondContact O-N 3.03Å; L309-W346 HydrophobicContact CB-CH2 4.48Å; L309-W346 HydrophobicContact CB-CZ2 3.78Å; L309-W346 HydrophobicContact CD1-CH2 4.15Å; L309-W346 HydrophobicContact CD1-CZ2 3.95Å; L309-E377 HydrophobicContact CD2-CG 4.25Å; L309-Q425 VanDerWaalsContact CD1-NE2 3.31Å; L309-Q425 VanDerWaalsContact CD1-OE1 3.28Å; L309-Q425 VanDerWaalsContact CD2-NE2 3.25Å |
| 310 | S | 81.6 | Confident | 85.4 | Confident | 42 Ų | 42 | 32.2 Ų | 32.2 | 29% | 0.294 | 16% | 0.161 | S | C | . | . | P | Polyproline II helix | trans | -76.6 | 142.2 | 174 | 87.9 | 0 | 0 | 0 | 0 | 111.8 | K344 W346 G374 | S310-K344 WeakPolarHBondContact OG-CD 3.41Å; S310-K344 PolarHBondContact OG-NZ 3.39Å; S310-W346 PolarHBondContact O-NE1 2.95Å; S310-G374 PolarHBondContact OG-O 3.41Å |
| 311 | R | 82.1 | Confident | 85 | Confident | 73 Ų | 73 | 34 Ų | 34 | 28% | 0.275 | 17% | 0.171 | S | C | . | . | P | Polyproline II helix | trans | -60.7 | 131.3 | -175.6 | -61.4 | -169 | -172.9 | 174.9 | 7.8 | 111.1 | W454 K455 | R311-W454 HydrophobicContact CG-CH2 3.94Å; R311-W454 HydrophobicContact CG-CZ2 3.7Å; R311-K455 PolarHBondContact NH1-O 3.48Å |
| 312 | P | 85.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 152.3 | 178.2 | 28.6 | -30 | 0 | 0 | 0 | 111.4 | V315 K344 W346 I470 | P312-V315 HydrophobicContact CB-CG2 4.17Å; P312-V315 HydrophobicContact CG-CG2 3.99Å; P312-K344 WeakPolarHBondContact CA-O 3.35Å; P312-W346 HydrophobicContact CB-CB 4.18Å; P312-W346 HydrophobicContact CB-CD2 3.93Å; P312-W346 HydrophobicContact CB-CG 3.66Å; P312-W346 HydrophobicContact CG-CD2 3.56Å; P312-W346 HydrophobicContact CG-CE3 3.9Å; P312-W346 HydrophobicContact CG-CG 3.86Å; P312-W346 HydrophobicContact CG-CZ2 4.22Å; P312-W346 HydrophobicContact CG-CZ3 4.37Å; P312-I470 HydrophobicContact CG-CD1 4.02Å; P312-I470 HydrophobicContact CG-CG2 4.19Å; P312-I470 WeakPolarHBondContact O-CD1 3.23Å; P312-I470 WeakPolarHBondContact O-CG1 3.42Å |
| 313 | Q | 82.1 | Confident | 83 | Confident | 45 Ų | 45 | 37 Ų | 37 | 21% | 0.21 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -94.6 | -29.8 | 165.6 | -71.8 | 165.5 | -27.3 | 0 | 0 | 110.9 | T343 K344 L456 Q471 | Q313-T343 VanDerWaalsContact OE1-CA 3.26Å; Q313-K344 PolarHBondContact N-O 2.85Å; Q313-L456 HydrophobicContact CG-CD1 4.14Å; Q313-L456 HydrophobicContact CG-CD2 4.24Å; Q313-L456 HydrophobicContact CG-CG 4.48Å; Q313-Q471 PolarHBondContact O-N 2.85Å |
| 314 | L | 87.7 | Confident | 81.8 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 137.2 | -175.5 | 178 | 61.2 | 0 | 0 | 0 | 110.1 | L316 A339 K344 T345 W346 Q471 L595 I599 L636 | L314-L316 HydrophobicContact CD1-CD2 3.93Å; L314-L316 HydrophobicContact CD2-CD2 4.09Å; L314-L316 HydrophobicContact CG-CD2 3.9Å; L314-L316 HydrophobicContact CG-CG 4.3Å; L314-A339 HydrophobicContact CD2-CB 3.9Å; L314-K344 PolarHBondContact N-O 3.32Å; L314-T345 HydrophobicContact CG-CG2 4.49Å; L314-T345 WeakPolarHBondContact O-CA 3.11Å; L314-W346 PolarHBondContact O-N 3.46Å; L314-Q471 CarbonylContact C-O 3.56Å; L314-Q471 WeakPolarHBondContact CA-O 3.31Å; L314-Q471 HydrophobicContact CD1-CB 4.16Å; L314-L595 HydrophobicContact CD2-CD2 4.13Å; L314-I599 HydrophobicContact CD1-CD1 3.92Å; L314-L636 HydrophobicContact CB-CD2 4.18Å; L314-L636 HydrophobicContact CD1-CD2 4.3Å; L314-L636 HydrophobicContact CD2-CD2 4.38Å |
| 315 | V | 90.5 | Very high | 81.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 120.4 | 176.5 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | P312 W346 I348 L451 I470 Q471 V472 C473 | P312-V315 HydrophobicContact CB-CG2 4.17Å; P312-V315 HydrophobicContact CG-CG2 3.99Å; V315-W346 CarbonylContact C-O 3.6Å; V315-W346 WeakPolarHBondContact CA-O 3.14Å; V315-W346 HydrophobicContact CG2-CB 4.38Å; V315-I348 HydrophobicContact CG1-CD1 3.57Å; V315-I348 HydrophobicContact CG1-CG1 3.98Å; V315-L451 HydrophobicContact CG1-CD1 4.14Å; V315-L451 HydrophobicContact CG2-CD1 4.28Å; V315-I470 HydrophobicContact CG2-CG2 3.74Å; V315-Q471 PolarHBondContact N-O 3.48Å; V315-V472 HydrophobicContact CB-CB 4.45Å; V315-V472 HydrophobicContact CB-CG1 4.28Å; V315-V472 HydrophobicContact CB-CG2 4.14Å; V315-V472 HydrophobicContact CG1-CG1 4.32Å; V315-V472 HydrophobicContact CG2-CG2 4.38Å; V315-V472 WeakPolarHBondContact O-CA 3.28Å; V315-C473 PolarHBondContact O-N 3.3Å |
| 316 | L | 91.8 | Very high | 81.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 119.2 | -180 | -54.8 | 179.8 | 0 | 0 | 0 | 109.4 | L314 F318 L335 I336 A339 T345 W346 V347 I348 F475 L595 | L314-L316 HydrophobicContact CD1-CD2 3.93Å; L314-L316 HydrophobicContact CD2-CD2 4.09Å; L314-L316 HydrophobicContact CG-CD2 3.9Å; L314-L316 HydrophobicContact CG-CG 4.3Å; L316-F318 HydrophobicContact CB-CE2 3.79Å; L316-F318 HydrophobicContact CB-CZ 4.23Å; L316-L335 HydrophobicContact CD1-CD2 4.21Å; L316-L335 HydrophobicContact CD1-CG 4.38Å; L316-I336 HydrophobicContact CD1-CG1 4.34Å; L316-A339 HydrophobicContact CD1-CB 4.36Å; L316-T345 HydrophobicContact CD1-CG2 3.95Å; L316-T345 HydrophobicContact CG-CG2 4.09Å; L316-W346 PolarHBondContact N-O 3.46Å; L316-V347 WeakPolarHBondContact O-CA 3.49Å; L316-I348 PolarHBondContact O-N 3.49Å; L316-F475 HydrophobicContact CD2-CE2 4.1Å; L316-L595 HydrophobicContact CD2-CD1 3.88Å; L316-L595 HydrophobicContact CD2-CD2 3.74Å; L316-L595 HydrophobicContact CD2-CG 4.5Å |
| 317 | S | 92 | Very high | 80.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 108.1 | -173 | -158.8 | 0 | 0 | 0 | 0 | 110.8 | Y319 R444 E448 C473 A474 F475 | S317-Y319 WeakPolarHBondContact OG-CE2 3.09Å; S317-R444 VanDerWaalsContact C-NH2 3.31Å; S317-R444 PolarHBondContact OG-NE 2.78Å; S317-R444 PolarHBondContact OG-NH2 3.26Å; S317-E448 WeakPolarHBondContact CB-OE1 3.3Å; S317-E448 PolarHBondContact OG-OE1 2.68Å; S317-C473 PolarHBondContact N-O 2.86Å; S317-A474 CarbonylContact O-C 3.56Å; S317-A474 WeakPolarHBondContact O-CA 3.35Å; S317-F475 PolarHBondContact O-N 2.72Å |
| 318 | F | 90.5 | Very high | 80.4 | Confident | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.6 | -175 | -65.6 | -84.6 | 0 | 0 | 0 | 112.6 | L316 I332 L335 I336 V347 I348 L356 A360 R444 F475 | L316-F318 HydrophobicContact CB-CE2 3.79Å; L316-F318 HydrophobicContact CB-CZ 4.23Å; F318-I332 HydrophobicContact CE1-CD1 4.44Å; F318-I332 HydrophobicContact CE1-CG1 4.45Å; F318-I332 HydrophobicContact CE1-CG2 3.94Å; F318-I332 HydrophobicContact CZ-CG2 4.12Å; F318-L335 HydrophobicContact CZ-CD2 4.45Å; F318-I336 HydrophobicContact CE2-CD1 4.18Å; F318-I336 HydrophobicContact CZ-CD1 4.14Å; F318-I336 HydrophobicContact CZ-CG1 4.37Å; F318-V347 HydrophobicContact CD2-CG1 4.01Å; F318-V347 HydrophobicContact CE2-CG1 3.88Å; F318-I348 PolarHBondContact N-O 2.71Å; F318-L356 HydrophobicContact CB-CB 3.95Å; F318-L356 HydrophobicContact CB-CD1 4.34Å; F318-L356 HydrophobicContact CD1-CB 4.23Å; F318-L356 HydrophobicContact CD1-CD1 3.99Å; F318-L356 HydrophobicContact CG-CB 4.44Å; F318-A360 HydrophobicContact CD2-CB 3.84Å; F318-A360 HydrophobicContact CE2-CB 3.91Å; F318-A360 HydrophobicContact CG-CB 4.28Å; F318-A360 HydrophobicContact CZ-CB 4.4Å; F318-R444 VanDerWaalsContact C-NH2 3.34Å; F318-R444 VanDerWaalsContact O-CZ 3.31Å; F318-R444 PolarHBondContact O-NH1 3.24Å; F318-R444 PolarHBondContact O-NH2 2.77Å; F318-F475 HydrophobicContact CD1-CB 3.81Å; F318-F475 HydrophobicContact CD1-CD2 4.08Å; F318-F475 HydrophobicContact CD1-CG 4.08Å; F318-F475 HydrophobicContact CE1-CB 4.13Å; F318-F475 AromaticContact CE1-CD2 3.75Å; F318-F475 HydrophobicContact CE1-CD2 3.75Å; F318-F475 HydrophobicContact CE1-CE2 4.36Å; F318-F475 AromaticContact CE1-CG 3.89Å; F318-F475 HydrophobicContact CE1-CG 3.89Å; F318-F475 HydrophobicContact CZ-CD2 4.16Å; F318-F475 HydrophobicContact CZ-CE2 4.45Å |
| 319 | Y | 87.7 | Confident | 80.3 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.1 | -179.8 | -70.3 | -88.5 | 0 | 0 | 0 | 111.9 | S317 L356 Y441 R444 E448 A474 F475 S477 A486 I487 | S317-Y319 WeakPolarHBondContact OG-CE2 3.09Å; Y319-L356 WeakPolarHBondContact O-CD1 3.25Å; Y319-Y441 HydrophobicContact CD1-CE1 4.31Å; Y319-Y441 HydrophobicContact CE1-CD1 4.23Å; Y319-Y441 HydrophobicContact CE1-CE1 4.41Å; Y319-R444 WeakPolarHBondContact OH-CD 3.1Å; Y319-R444 PolarHBondContact OH-NE 3.29Å; Y319-E448 VanDerWaalsContact OH-CD 3.3Å; Y319-E448 PolarHBondContact OH-OE1 3.31Å; Y319-E448 PolarHBondContact OH-OE2 2.98Å; Y319-A474 HydrophobicContact CD2-CB 4.06Å; Y319-A474 HydrophobicContact CE2-CB 4Å; Y319-F475 WeakPolarHBondContact CB-O 3.39Å; Y319-F475 PolarHBondContact N-O 2.95Å; Y319-S477 PolarHBondContact O-N 2.78Å; Y319-A486 HydrophobicContact CD1-CB 4.11Å; Y319-A486 HydrophobicContact CE1-CB 3.84Å; Y319-I487 HydrophobicContact CD2-CD1 4.28Å; Y319-I487 HydrophobicContact CG-CD1 4.28Å |
| 320 | G | 78.4 | Confident | 80.2 | Confident | 8 Ų | 8 | 46 Ų | 46 | 8% | 0.082 | 22% | 0.224 | C | C | . | . | trans | 100.6 | 163 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S477 | G320-S477 CarbonylContact C-O 3.57Å; G320-S477 VanDerWaalsContact CA-O 3.28Å; G320-S477 WeakPolarHBondContact CA-O 3.49Å | ||
| 321 | D | 75.3 | Confident | 80.2 | Confident | 73 Ų | 73 | 45.6 Ų | 45.6 | 39% | 0.39 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -108.6 | -13.2 | -153.6 | 68.6 | -39.7 | 0 | 0 | 0 | 115.4 | G355 S477 G479 R505 | D321-G355 WeakPolarHBondContact O-CA 3.46Å; D321-S477 PolarHBondContact N-O 2.8Å; D321-G479 PolarHBondContact OD1-N 3.35Å; D321-G479 VanDerWaalsContact OD1-N 3.09Å; D321-R505 VanDerWaalsContact CG-NH1 3.31Å; D321-R505 IonicContact OD1-NH1 3.23Å; D321-R505 PolarHBondContact OD1-NH1 2.81Å; D321-R505 IonicContact OD2-CZ 3.3Å; D321-R505 IonicContact OD2-NH1 3.39Å; D321-R505 PolarHBondContact OD2-NH1 2.97Å; D321-R505 IonicContact OD2-NH2 3.14Å |
| 322 | Y | 66.5 | Low | 80.4 | Confident | 105 Ų | 105 | 42.1 Ų | 42.1 | 41% | 0.412 | 20% | 0.204 | S | C | . | . | trans | -122.8 | 123 | -169.9 | -171.6 | -104.1 | 0 | 0 | 0 | 113.7 | D324 S477 T503 | Y322-D324 WeakPolarHBondContact CE2-OD2 3.4Å; Y322-D324 PolarHBondContact OH-OD2 3.13Å; Y322-S477 PolarHBondContact O-OG 3.27Å; Y322-T503 WeakPolarHBondContact CD1-O 3.19Å | ||
| 323 | T | 63.6 | Low | 80.4 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 8% | 0.08 | 22% | 0.22 | C | C | . | . | trans | -161.5 | 78.4 | 164.8 | 37.8 | 0 | 0 | 0 | 0 | 112.8 | S325 I328 L356 I359 S477 | T323-S325 PolarHBondContact O-N 3.47Å; T323-I328 HydrophobicContact CG2-CB 4.36Å; T323-I328 HydrophobicContact CG2-CD1 4.29Å; T323-I328 HydrophobicContact CG2-CG2 3.84Å; T323-L356 HydrophobicContact CG2-CD2 3.39Å; T323-I359 WeakPolarHBondContact OG1-CD1 3.41Å; T323-S477 WeakPolarHBondContact CG2-OG 3.31Å | ||
| 324 | D | 64.6 | Low | 80.5 | Confident | 119 Ų | 119 | 49.8 Ų | 49.8 | 64% | 0.636 | 23% | 0.231 | S | C | * | . | trans | -72.9 | -13.7 | 167.3 | -75.9 | -41.2 | 0 | 0 | 0 | 113 | Y322 K326 | Y322-D324 WeakPolarHBondContact CE2-OD2 3.4Å; Y322-D324 PolarHBondContact OH-OD2 3.13Å; D324-K326 PolarHBondContact O-N 3.1Å; D324-K326 VanDerWaalsContact O-N 3.17Å | ||
| 325 | S | 71.4 | Confident | 80.4 | Confident | 41 Ų | 41 | 49.7 Ų | 49.7 | 29% | 0.287 | 23% | 0.23 | S | C | . | . | trans | -64.2 | 114 | 179.1 | -179.3 | 0 | 0 | 0 | 0 | 112.6 | T323 V327 I328 R329 | T323-S325 PolarHBondContact O-N 3.47Å; S325-V327 PolarHBondContact O-N 2.86Å; S325-V327 PolarHBondContact OG-N 2.82Å; S325-I328 PolarHBondContact O-N 2.86Å; S325-I328 PolarHBondContact OG-N 3.02Å; S325-R329 PolarHBondContact O-N 3.13Å | ||
| 326 | K | 76.4 | Confident | 80.2 | Confident | 168 Ų | 168 | 49.7 Ų | 49.7 | 73% | 0.73 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -59.8 | -29.2 | 170.5 | -66.8 | -179 | -178.3 | 175.3 | 0 | 112.4 | D324 E330 | D324-K326 PolarHBondContact O-N 3.1Å; D324-K326 VanDerWaalsContact O-N 3.17Å; K326-E330 PolarHBondContact O-N 3.04Å |
| 327 | V | 76.8 | Confident | 79.9 | Confident | 74 Ų | 74 | 52.8 Ų | 52.8 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.6 | -48.6 | -179.2 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | S325 R329 E330 K331 A582 | S325-V327 PolarHBondContact O-N 2.86Å; S325-V327 PolarHBondContact OG-N 2.82Å; V327-R329 VanDerWaalsContact C-N 3.29Å; V327-R329 PolarHBondContact O-N 3.02Å; V327-E330 PolarHBondContact O-N 3.27Å; V327-K331 HydrophobicContact CG1-CD 4.49Å; V327-K331 PolarHBondContact O-N 3.49Å; V327-A582 WeakPolarHBondContact CG1-O 3.4Å |
| 328 | I | 77.1 | Confident | 79.5 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 177.6 | -60.6 | 176.2 | 0 | 0 | 0 | 110.6 | T323 S325 E330 K331 I332 L500 T503 A582 | T323-I328 HydrophobicContact CG2-CB 4.36Å; T323-I328 HydrophobicContact CG2-CD1 4.29Å; T323-I328 HydrophobicContact CG2-CG2 3.84Å; S325-I328 PolarHBondContact O-N 2.86Å; S325-I328 PolarHBondContact OG-N 3.02Å; I328-E330 PolarHBondContact O-N 2.92Å; I328-K331 PolarHBondContact O-N 2.65Å; I328-I332 HydrophobicContact CG2-CD1 3.8Å; I328-I332 HydrophobicContact CG2-CG1 4.35Å; I328-I332 WeakPolarHBondContact O-CG1 3.15Å; I328-I332 PolarHBondContact O-N 3.3Å; I328-L500 HydrophobicContact CG2-CD1 4.04Å; I328-T503 HydrophobicContact CD1-CG2 3.57Å; I328-A582 HydrophobicContact CD1-CB 4.2Å; I328-A582 HydrophobicContact CG1-CB 4.14Å |
| 329 | R | 81.1 | Confident | 79.1 | Confident | 119 Ų | 119 | 56.2 Ų | 56.2 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.4 | -47.9 | 175.1 | -174.4 | -179 | -57.5 | 171.4 | 5.5 | 112.6 | S325 V327 R333 I359 | S325-R329 PolarHBondContact O-N 3.13Å; V327-R329 VanDerWaalsContact C-N 3.29Å; V327-R329 PolarHBondContact O-N 3.02Å; R329-R333 WeakPolarHBondContact O-CB 3.27Å; R329-R333 PolarHBondContact O-N 3.4Å; R329-I359 HydrophobicContact CB-CD1 4.01Å; R329-I359 HydrophobicContact CB-CG2 4.36Å; R329-I359 HydrophobicContact CG-CD1 4.05Å; R329-I359 HydrophobicContact CG-CG1 4.03Å; R329-I359 HydrophobicContact CG-CG2 3.88Å |
| 330 | E | 81.3 | Confident | 79 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 34% | 0.336 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71 | -38.6 | 179.4 | -177.1 | 62.2 | -169.9 | 0 | 0 | 111.9 | K326 V327 I328 I332 R333 R334 | K326-E330 PolarHBondContact O-N 3.04Å; V327-E330 PolarHBondContact O-N 3.27Å; I328-E330 PolarHBondContact O-N 2.92Å; E330-I332 PolarHBondContact O-N 3.06Å; E330-R333 PolarHBondContact O-N 3.47Å; E330-R334 WeakPolarHBondContact O-CG 3.32Å; E330-R334 PolarHBondContact O-N 3.48Å; E330-R334 IonicContact OE1-CZ 3.75Å; E330-R334 VanDerWaalsContact OE1-CZ 3.24Å; E330-R334 IonicContact OE1-NE 2.74Å; E330-R334 PolarHBondContact OE1-NE 3.39Å; E330-R334 IonicContact OE1-NH2 3.54Å; E330-R334 PolarHBondContact OE1-NH2 3.11Å |
| 331 | K | 82.2 | Confident | 79.1 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 173.5 | -73.4 | -171.1 | 178 | -168.7 | 0 | 111.9 | V327 I328 L335 E581 A582 S584 G589 L591 | V327-K331 HydrophobicContact CG1-CD 4.49Å; V327-K331 PolarHBondContact O-N 3.49Å; I328-K331 PolarHBondContact O-N 2.65Å; K331-L335 PolarHBondContact O-N 2.99Å; K331-E581 PolarHBondContact NZ-O 3.03Å; K331-A582 PolarHBondContact NZ-O 2.99Å; K331-S584 PolarHBondContact NZ-O 3Å; K331-S584 PolarHBondContact NZ-OG 3.43Å; K331-S584 VanDerWaalsContact NZ-OG 3.09Å; K331-G589 WeakPolarHBondContact CE-O 3.36Å; K331-G589 PolarHBondContact NZ-O 3.43Å; K331-L591 HydrophobicContact CB-CB 4.45Å |
| 332 | I | 85.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.5 | -43.1 | 177.2 | -68.2 | 170.8 | 0 | 0 | 0 | 111.9 | F318 I328 E330 R334 L335 I336 L356 I359 L591 | F318-I332 HydrophobicContact CE1-CD1 4.44Å; F318-I332 HydrophobicContact CE1-CG1 4.45Å; F318-I332 HydrophobicContact CE1-CG2 3.94Å; F318-I332 HydrophobicContact CZ-CG2 4.12Å; I328-I332 HydrophobicContact CG2-CD1 3.8Å; I328-I332 HydrophobicContact CG2-CG1 4.35Å; I328-I332 WeakPolarHBondContact O-CG1 3.15Å; I328-I332 PolarHBondContact O-N 3.3Å; E330-I332 PolarHBondContact O-N 3.06Å; I332-R334 VanDerWaalsContact C-N 3.28Å; I332-R334 PolarHBondContact O-N 3.1Å; I332-L335 WeakPolarHBondContact O-CB 3.47Å; I332-L335 PolarHBondContact O-N 3.06Å; I332-I336 HydrophobicContact CG2-CD1 4.07Å; I332-I336 PolarHBondContact O-N 2.91Å; I332-I336 VanDerWaalsContact O-N 3.07Å; I332-L356 HydrophobicContact CD1-CD2 3.58Å; I332-I359 HydrophobicContact CB-CG2 3.95Å; I332-I359 HydrophobicContact CD1-CG2 4.42Å; I332-I359 HydrophobicContact CG2-CG2 3.85Å; I332-L591 HydrophobicContact CB-CD2 4.39Å; I332-L591 HydrophobicContact CG1-CD2 3.52Å |
| 333 | R | 85.2 | Confident | 79.6 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 36% | 0.355 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.7 | -44.8 | 175.9 | -178.8 | -170.8 | 175 | 94.9 | 8.3 | 111.4 | R329 E330 W337 A363 D366 | R329-R333 WeakPolarHBondContact O-CB 3.27Å; R329-R333 PolarHBondContact O-N 3.4Å; E330-R333 PolarHBondContact O-N 3.47Å; R333-W337 PolarHBondContact O-N 2.87Å; R333-A363 HydrophobicContact CB-CB 4.26Å; R333-A363 HydrophobicContact CG-CB 4.08Å; R333-D366 IonicContact CZ-OD2 3.93Å; R333-D366 IonicContact NH1-OD2 3.16Å; R333-D366 PolarHBondContact NH1-OD2 3.47Å; R333-D366 IonicContact NH2-OD2 2.67Å; R333-D366 PolarHBondContact NH2-OD2 3.17Å |
| 334 | R | 84.4 | Confident | 80.6 | Confident | 112 Ų | 112 | 58.3 Ų | 58.3 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 176.4 | -69.6 | 175.9 | -171.6 | -173.5 | 6.6 | 113 | E330 I332 W337 K338 | E330-R334 WeakPolarHBondContact O-CG 3.32Å; E330-R334 PolarHBondContact O-N 3.48Å; E330-R334 IonicContact OE1-CZ 3.75Å; E330-R334 VanDerWaalsContact OE1-CZ 3.24Å; E330-R334 IonicContact OE1-NE 2.74Å; E330-R334 PolarHBondContact OE1-NE 3.39Å; E330-R334 IonicContact OE1-NH2 3.54Å; E330-R334 PolarHBondContact OE1-NH2 3.11Å; I332-R334 VanDerWaalsContact C-N 3.28Å; I332-R334 PolarHBondContact O-N 3.1Å; R334-W337 PolarHBondContact O-N 2.96Å; R334-K338 WeakPolarHBondContact O-CG 3.45Å; R334-K338 PolarHBondContact O-N 3.06Å |
| 335 | L | 86 | Confident | 81.7 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.9 | -55.5 | 175.4 | 174.2 | 69.8 | 0 | 0 | 0 | 111 | L316 F318 K331 I332 W337 K338 A339 F475 L591 D592 L595 | L316-L335 HydrophobicContact CD1-CD2 4.21Å; L316-L335 HydrophobicContact CD1-CG 4.38Å; F318-L335 HydrophobicContact CZ-CD2 4.45Å; K331-L335 PolarHBondContact O-N 2.99Å; I332-L335 WeakPolarHBondContact O-CB 3.47Å; I332-L335 PolarHBondContact O-N 3.06Å; L335-W337 VanDerWaalsContact C-N 3.32Å; L335-W337 PolarHBondContact O-N 3.36Å; L335-K338 PolarHBondContact O-N 2.94Å; L335-A339 VanDerWaalsContact O-CB 3.31Å; L335-A339 WeakPolarHBondContact O-CB 3.35Å; L335-A339 PolarHBondContact O-N 3.06Å; L335-F475 HydrophobicContact CD2-CE1 4.04Å; L335-F475 HydrophobicContact CD2-CE2 3.98Å; L335-F475 HydrophobicContact CD2-CZ 3.48Å; L335-F475 VanDerWaalsContact CD2-CZ 3.48Å; L335-L591 HydrophobicContact CB-CB 4.36Å; L335-L591 HydrophobicContact CB-CD2 4.16Å; L335-L591 HydrophobicContact CD2-CD2 3.62Å; L335-L591 HydrophobicContact CD2-CG 3.96Å; L335-L591 HydrophobicContact CG-CD2 4.44Å; L335-D592 HydrophobicContact CD1-CB 3.92Å; L335-L595 HydrophobicContact CD1-CB 4.33Å; L335-L595 HydrophobicContact CD1-CD2 3.79Å |
| 336 | I | 87 | Confident | 82.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | -176.9 | -68.4 | 170.6 | 0 | 0 | 0 | 109.5 | L316 F318 I332 K338 A339 S340 V347 A360 A363 V364 | L316-I336 HydrophobicContact CD1-CG1 4.34Å; F318-I336 HydrophobicContact CE2-CD1 4.18Å; F318-I336 HydrophobicContact CZ-CD1 4.14Å; F318-I336 HydrophobicContact CZ-CG1 4.37Å; I332-I336 HydrophobicContact CG2-CD1 4.07Å; I332-I336 PolarHBondContact O-N 2.91Å; I332-I336 VanDerWaalsContact O-N 3.07Å; I336-K338 PolarHBondContact O-N 3.45Å; I336-A339 PolarHBondContact O-N 3.42Å; I336-S340 WeakPolarHBondContact O-CB 3.34Å; I336-S340 PolarHBondContact O-N 3.07Å; I336-S340 PolarHBondContact O-OG 3.35Å; I336-V347 HydrophobicContact CD1-CG2 4.38Å; I336-V347 HydrophobicContact CG1-CG2 4.43Å; I336-V347 HydrophobicContact CG2-CG2 4.45Å; I336-A360 HydrophobicContact CD1-CB 3.71Å; I336-A360 WeakPolarHBondContact CD1-O 3.29Å; I336-A363 HydrophobicContact CB-CB 4.16Å; I336-A363 HydrophobicContact CD1-CB 4.07Å; I336-A363 HydrophobicContact CG2-CB 4.25Å; I336-V364 HydrophobicContact CG2-CG2 3.81Å |
| 337 | W | 86.1 | Confident | 83.5 | Confident | 66 Ų | 66 | 42.9 Ų | 42.9 | 25% | 0.25 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.8 | -47.5 | 177.5 | -160.7 | -70.3 | 0 | 0 | 0 | 113.5 | R333 R334 L335 S340 E341 D366 F367 A370 Y371 | R333-W337 PolarHBondContact O-N 2.87Å; R334-W337 PolarHBondContact O-N 2.96Å; L335-W337 VanDerWaalsContact C-N 3.32Å; L335-W337 PolarHBondContact O-N 3.36Å; W337-S340 PolarHBondContact O-N 3.41Å; W337-E341 PolarHBondContact O-N 3.31Å; W337-D366 HydrophobicContact CZ3-CB 4.23Å; W337-F367 HydrophobicContact CD2-CD2 4.02Å; W337-F367 HydrophobicContact CE3-CB 4.33Å; W337-F367 HydrophobicContact CE3-CD2 4.28Å; W337-F367 HydrophobicContact CG-CD2 4.27Å; W337-F367 HydrophobicContact CZ3-CB 4.37Å; W337-A370 HydrophobicContact CH2-CB 3.94Å; W337-A370 HydrophobicContact CZ2-CB 4.38Å; W337-Y371 AromaticContact CZ2-CE2 3.8Å; W337-Y371 HydrophobicContact CZ2-CE2 3.8Å |
| 338 | K | 82.1 | Confident | 84.3 | Confident | 72 Ų | 72 | 39.4 Ų | 39.4 | 31% | 0.313 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.9 | -39 | 179.3 | -70.1 | -172.8 | -172.6 | -171.7 | 0 | 112.7 | R334 L335 I336 S342 E590 | R334-K338 WeakPolarHBondContact O-CG 3.45Å; R334-K338 PolarHBondContact O-N 3.06Å; L335-K338 PolarHBondContact O-N 2.94Å; I336-K338 PolarHBondContact O-N 3.45Å; K338-S342 PolarHBondContact O-N 3.33Å; K338-S342 PolarHBondContact O-OG 3.12Å; K338-E590 IonicContact NZ-OE1 3.88Å; K338-E590 PolarHBondContact NZ-OE1 3.33Å; K338-E590 IonicContact NZ-OE2 2.62Å; K338-E590 PolarHBondContact NZ-OE2 3.19Å |
| 339 | A | 83.2 | Confident | 85 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L314 L316 L335 I336 S342 T343 T345 | L314-A339 HydrophobicContact CD2-CB 3.9Å; L316-A339 HydrophobicContact CD1-CB 4.36Å; L335-A339 VanDerWaalsContact O-CB 3.31Å; L335-A339 WeakPolarHBondContact O-CB 3.35Å; L335-A339 PolarHBondContact O-N 3.06Å; I336-A339 PolarHBondContact O-N 3.42Å; A339-S342 PolarHBondContact O-N 3.39Å; A339-S342 PolarHBondContact O-OG 3.21Å; A339-T343 PolarHBondContact O-N 3.22Å; A339-T343 VanDerWaalsContact O-O 3.11Å; A339-T343 PolarHBondContact O-OG1 3.23Å; A339-T345 HydrophobicContact CB-CG2 4.26Å; A339-T345 PolarHBondContact O-OG1 3.47Å |
| 340 | S | 84.5 | Confident | 85.2 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.6 | -30.9 | -178.7 | -65.8 | 0 | 0 | 0 | 0 | 115.1 | I336 W337 S342 F367 V376 | I336-S340 WeakPolarHBondContact O-CB 3.34Å; I336-S340 PolarHBondContact O-N 3.07Å; I336-S340 PolarHBondContact O-OG 3.35Å; W337-S340 PolarHBondContact O-N 3.41Å; S340-S342 VanDerWaalsContact C-N 3.33Å; S340-F367 VanDerWaalsContact CB-CE2 3.44Å; S340-V376 WeakPolarHBondContact OG-CG1 3.46Å; S340-V376 WeakPolarHBondContact OG-CG2 3.47Å |
| 341 | E | 80.8 | Confident | 85.3 | Confident | 134 Ų | 134 | 30.9 Ų | 30.9 | 63% | 0.626 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -70.6 | -31.1 | 174.2 | -175.6 | 179 | -176.1 | 0 | 0 | 112.1 | W337 | W337-E341 PolarHBondContact O-N 3.31Å |
| 342 | S | 74.8 | Confident | 85.3 | Confident | 33 Ų | 33 | 29.9 Ų | 29.9 | 23% | 0.231 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -100 | -27.5 | -173 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | K338 A339 S340 | K338-S342 PolarHBondContact O-N 3.33Å; K338-S342 PolarHBondContact O-OG 3.12Å; A339-S342 PolarHBondContact O-N 3.39Å; A339-S342 PolarHBondContact O-OG 3.21Å; S340-S342 VanDerWaalsContact C-N 3.33Å |
| 343 | T | 78.1 | Confident | 85.1 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -146 | 152 | -171.3 | 67.5 | 0 | 0 | 0 | 0 | 112.9 | Q313 A339 T345 L636 | Q313-T343 VanDerWaalsContact OE1-CA 3.26Å; A339-T343 PolarHBondContact O-N 3.22Å; A339-T343 VanDerWaalsContact O-O 3.11Å; A339-T343 PolarHBondContact O-OG1 3.23Å; T343-T345 PolarHBondContact O-N 2.77Å; T343-T345 VanDerWaalsContact O-N 3.13Å; T343-T345 PolarHBondContact O-OG1 3.13Å; T343-T345 VanDerWaalsContact O-OG1 3.06Å; T343-T345 PolarHBondContact OG1-OG1 3.18Å; T343-T345 VanDerWaalsContact OG1-OG1 3.06Å; T343-L636 HydrophobicContact CG2-CB 4.32Å; T343-L636 HydrophobicContact CG2-CD2 4.17Å; T343-L636 WeakPolarHBondContact CG2-O 3.37Å |
| 344 | K | 83.4 | Confident | 84.6 | Confident | 69 Ų | 69 | 33.8 Ų | 33.8 | 30% | 0.3 | 15% | 0.15 | S | C | . | . | trans | -69 | 107.8 | 169.3 | -68.9 | -174.7 | 165.7 | -151.1 | 0 | 109.6 | S310 P312 Q313 L314 Q375 | S310-K344 WeakPolarHBondContact OG-CD 3.41Å; S310-K344 PolarHBondContact OG-NZ 3.39Å; P312-K344 WeakPolarHBondContact CA-O 3.35Å; Q313-K344 PolarHBondContact N-O 2.85Å; L314-K344 PolarHBondContact N-O 3.32Å; K344-Q375 WeakPolarHBondContact CA-O 3.15Å | ||
| 345 | T | 88.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.8 | -167.3 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | L314 L316 A339 T343 V347 Q375 V376 E377 | L314-T345 HydrophobicContact CG-CG2 4.49Å; L314-T345 WeakPolarHBondContact O-CA 3.11Å; L316-T345 HydrophobicContact CD1-CG2 3.95Å; L316-T345 HydrophobicContact CG-CG2 4.09Å; A339-T345 HydrophobicContact CB-CG2 4.26Å; A339-T345 PolarHBondContact O-OG1 3.47Å; T343-T345 PolarHBondContact O-N 2.77Å; T343-T345 VanDerWaalsContact O-N 3.13Å; T343-T345 PolarHBondContact O-OG1 3.13Å; T343-T345 VanDerWaalsContact O-OG1 3.06Å; T343-T345 PolarHBondContact OG1-OG1 3.18Å; T343-T345 VanDerWaalsContact OG1-OG1 3.06Å; T345-V347 HydrophobicContact CG2-CG2 4.38Å; T345-Q375 PolarHBondContact N-O 3.11Å; T345-V376 WeakPolarHBondContact O-CA 3.24Å; T345-E377 PolarHBondContact O-N 3.16Å; T345-E377 VanDerWaalsContact O-N 3.16Å |
| 346 | W | 93 | Very high | 84.1 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 138.2 | 166.7 | -71.2 | 8.1 | 0 | 0 | 0 | 110.1 | F303 L309 S310 P312 L314 V315 L316 E377 I379 L451 W454 | F303-W346 HydrophobicContact CB-CH2 4.09Å; F303-W346 HydrophobicContact CD2-CH2 4.19Å; F303-W346 HydrophobicContact CD2-CZ3 4.16Å; F303-W346 HydrophobicContact CE2-CZ3 4.4Å; F303-W346 HydrophobicContact CG-CH2 4.07Å; F303-W346 HydrophobicContact CG-CZ3 4.35Å; L309-W346 HydrophobicContact CB-CH2 4.48Å; L309-W346 HydrophobicContact CB-CZ2 3.78Å; L309-W346 HydrophobicContact CD1-CH2 4.15Å; L309-W346 HydrophobicContact CD1-CZ2 3.95Å; S310-W346 PolarHBondContact O-NE1 2.95Å; P312-W346 HydrophobicContact CB-CB 4.18Å; P312-W346 HydrophobicContact CB-CD2 3.93Å; P312-W346 HydrophobicContact CB-CG 3.66Å; P312-W346 HydrophobicContact CG-CD2 3.56Å; P312-W346 HydrophobicContact CG-CE3 3.9Å; P312-W346 HydrophobicContact CG-CG 3.86Å; P312-W346 HydrophobicContact CG-CZ2 4.22Å; P312-W346 HydrophobicContact CG-CZ3 4.37Å; L314-W346 PolarHBondContact O-N 3.46Å; V315-W346 CarbonylContact C-O 3.6Å; V315-W346 WeakPolarHBondContact CA-O 3.14Å; V315-W346 HydrophobicContact CG2-CB 4.38Å; L316-W346 PolarHBondContact N-O 3.46Å; W346-E377 CarbonylContact C-O 3.58Å; W346-E377 WeakPolarHBondContact CA-O 3.32Å; W346-E377 HydrophobicContact CG-CB 4.28Å; W346-I379 HydrophobicContact CD2-CD1 4.37Å; W346-I379 HydrophobicContact CE3-CD1 3.86Å; W346-I379 HydrophobicContact CZ3-CD1 4.18Å; W346-L451 HydrophobicContact CE3-CD1 4.36Å; W346-L451 HydrophobicContact CE3-CD2 4.19Å; W346-L451 HydrophobicContact CZ3-CD2 3.73Å; W346-W454 HydrophobicContact CH2-CH2 4.29Å; W346-W454 AromaticContact CH2-CZ3 3.83Å; W346-W454 HydrophobicContact CH2-CZ3 3.83Å; W346-W454 HydrophobicContact CZ2-CZ3 4.46Å; W346-W454 HydrophobicContact CZ3-CZ3 4.31Å |
| 347 | V | 92.8 | Very high | 84 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117 | 179.5 | 173.4 | 0 | 0 | 0 | 0 | 108.3 | L316 F318 I336 T345 T349 A360 V364 E377 A378 I379 | L316-V347 WeakPolarHBondContact O-CA 3.49Å; F318-V347 HydrophobicContact CD2-CG1 4.01Å; F318-V347 HydrophobicContact CE2-CG1 3.88Å; I336-V347 HydrophobicContact CD1-CG2 4.38Å; I336-V347 HydrophobicContact CG1-CG2 4.43Å; I336-V347 HydrophobicContact CG2-CG2 4.45Å; T345-V347 HydrophobicContact CG2-CG2 4.38Å; V347-T349 HydrophobicContact CG1-CG2 3.94Å; V347-A360 HydrophobicContact CG1-CB 4.01Å; V347-V364 HydrophobicContact CB-CG2 4.28Å; V347-V364 HydrophobicContact CG2-CG2 3.93Å; V347-E377 PolarHBondContact N-O 3.5Å; V347-A378 CarbonylContact O-C 3.22Å; V347-A378 WeakPolarHBondContact O-CA 3.48Å; V347-I379 PolarHBondContact O-N 2.82Å |
| 348 | I | 93.2 | Very high | 83.8 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.3 | 178.5 | -57.1 | 179.4 | 0 | 0 | 0 | 109.1 | V315 L316 F318 I379 I381 R444 L451 | V315-I348 HydrophobicContact CG1-CD1 3.57Å; V315-I348 HydrophobicContact CG1-CG1 3.98Å; L316-I348 PolarHBondContact O-N 3.49Å; F318-I348 PolarHBondContact N-O 2.71Å; I348-I379 WeakPolarHBondContact CA-O 3.45Å; I348-I381 HydrophobicContact CG2-CD1 3.84Å; I348-I381 HydrophobicContact CG2-CG1 4.36Å; I348-R444 HydrophobicContact CG2-CG 4.4Å; I348-R444 PolarHBondContact O-NH2 3.36Å; I348-L451 HydrophobicContact CD1-CD1 3.81Å |
| 349 | T | 91.3 | Very high | 84 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 171 | 179.8 | 75 | 0 | 0 | 0 | 0 | 111.6 | V347 G351 S357 A360 I379 I381 | V347-T349 HydrophobicContact CG1-CG2 3.94Å; T349-G351 PolarHBondContact O-N 3.36Å; T349-G351 PolarHBondContact OG1-N 3.25Å; T349-S357 VanDerWaalsContact CB-OG 3.29Å; T349-S357 WeakPolarHBondContact CB-OG 3.46Å; T349-S357 PolarHBondContact OG1-OG 3.26Å; T349-S357 VanDerWaalsContact OG1-OG 3.13Å; T349-A360 HydrophobicContact CG2-CB 4.15Å; T349-I379 PolarHBondContact N-O 3.32Å; T349-I381 PolarHBondContact O-N 3.11Å |
| 350 | D | 85.9 | Confident | 84.2 | Confident | 18 Ų | 18 | 24.8 Ų | 24.8 | 10% | 0.096 | 13% | 0.127 | C | C | . | . | trans | -75.7 | 6.9 | 174.5 | -65 | -31.5 | 0 | 0 | 0 | 113.4 | T352 I381 Y441 R444 | D350-T352 PolarHBondContact O-N 3.34Å; D350-I381 CarbonylContact C-O 3.54Å; D350-I381 VanDerWaalsContact C-O 3.31Å; D350-I381 WeakPolarHBondContact CA-O 3.13Å; D350-Y441 WeakPolarHBondContact OD1-CE1 3.1Å; D350-R444 IonicContact OD1-CZ 2.67Å; D350-R444 IonicContact OD1-NH1 2.79Å; D350-R444 PolarHBondContact OD1-NH1 3.07Å; D350-R444 IonicContact OD2-NH1 2.91Å | ||
| 351 | G | 83.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 69.4 | -1.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | T349 L419 D420 | T349-G351 PolarHBondContact O-N 3.36Å; T349-G351 PolarHBondContact OG1-N 3.25Å; G351-L419 WeakPolarHBondContact O-CD2 3.4Å; G351-D420 PolarHBondContact O-N 3.24Å |
| 352 | T | 82.9 | Confident | 84.6 | Confident | 12 Ų | 12 | 19.1 Ų | 19.1 | 7% | 0.074 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -102.1 | 161.9 | -179.3 | 67.2 | 0 | 0 | 0 | 0 | 111.6 | D350 R354 S357 F417 V418 | D350-T352 PolarHBondContact O-N 3.34Å; T352-R354 PolarHBondContact O-N 2.91Å; T352-S357 WeakPolarHBondContact O-CB 3.35Å; T352-S357 PolarHBondContact O-OG 2.91Å; T352-F417 HydrophobicContact CG2-CB 3.57Å; T352-F417 HydrophobicContact CG2-CD2 3.96Å; T352-F417 HydrophobicContact CG2-CG 4.05Å; T352-V418 WeakPolarHBondContact CA-O 3.23Å |
| 353 | K | 79.6 | Confident | 85.3 | Confident | 111 Ų | 111 | 17.8 Ų | 17.8 | 48% | 0.483 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -73.2 | -2.5 | 178.6 | -161.2 | 173.8 | 180 | 177.8 | 0 | 113.8 | V418 D420 | K353-V418 HydrophobicContact CD-CG1 4.4Å; K353-V418 PolarHBondContact N-O 3.38Å; K353-D420 HydrophobicContact CB-CB 4.5Å |
| 354 | R | 76.3 | Confident | 85.8 | Confident | 64 Ų | 64 | 17.5 Ų | 17.5 | 24% | 0.242 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -84 | 158 | -173.2 | -60.1 | -174.6 | -176.6 | -158.9 | -0.6 | 112.9 | T352 L356 S357 D412 N413 F417 | T352-R354 PolarHBondContact O-N 2.91Å; R354-L356 PolarHBondContact O-N 2.99Å; R354-S357 WeakPolarHBondContact O-CB 3.41Å; R354-S357 PolarHBondContact O-N 3.35Å; R354-D412 WeakPolarHBondContact CG-OD2 3.46Å; R354-D412 IonicContact CZ-OD1 3.82Å; R354-D412 VanDerWaalsContact CZ-OD1 3.23Å; R354-D412 IonicContact NE-OD1 2.99Å; R354-D412 PolarHBondContact NE-OD1 3.43Å; R354-D412 IonicContact NE-OD2 3.7Å; R354-D412 PolarHBondContact NE-OD2 2.98Å; R354-D412 IonicContact NH2-OD1 2.73Å; R354-D412 PolarHBondContact NH2-OD1 2.96Å; R354-N413 PolarHBondContact NH2-O 3.16Å; R354-F417 VanDerWaalsContact CZ-CD1 3.44Å |
| 355 | G | 75.6 | Confident | 85.9 | Confident | 16 Ų | 16 | 15.6 Ų | 15.6 | 17% | 0.165 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | -134.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D321 S357 | D321-G355 WeakPolarHBondContact O-CA 3.46Å; G355-S357 VanDerWaalsContact C-N 3.31Å; G355-S357 PolarHBondContact O-N 2.92Å |
| 356 | L | 82.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -23.4 | -178.9 | -59.8 | -172.5 | 0 | 0 | 0 | 113.8 | F318 Y319 T323 I332 R354 I359 A360 F475 L500 | F318-L356 HydrophobicContact CB-CB 3.95Å; F318-L356 HydrophobicContact CB-CD1 4.34Å; F318-L356 HydrophobicContact CD1-CB 4.23Å; F318-L356 HydrophobicContact CD1-CD1 3.99Å; F318-L356 HydrophobicContact CG-CB 4.44Å; Y319-L356 WeakPolarHBondContact O-CD1 3.25Å; T323-L356 HydrophobicContact CG2-CD2 3.39Å; I332-L356 HydrophobicContact CD1-CD2 3.58Å; R354-L356 PolarHBondContact O-N 2.99Å; L356-I359 PolarHBondContact O-N 2.74Å; L356-A360 WeakPolarHBondContact O-CB 3.46Å; L356-A360 PolarHBondContact O-N 3.3Å; L356-F475 HydrophobicContact CD1-CB 4.38Å; L356-L500 HydrophobicContact CD1-CD1 4.35Å; L356-L500 HydrophobicContact CD2-CD1 4.5Å |
| 357 | S | 84.5 | Confident | 85.5 | Confident | 6 Ų | 6 | 18 Ų | 18 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.4 | -53 | -173.4 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | T349 T352 R354 G355 I359 A360 S361 | T349-S357 VanDerWaalsContact CB-OG 3.29Å; T349-S357 WeakPolarHBondContact CB-OG 3.46Å; T349-S357 PolarHBondContact OG1-OG 3.26Å; T349-S357 VanDerWaalsContact OG1-OG 3.13Å; T352-S357 WeakPolarHBondContact O-CB 3.35Å; T352-S357 PolarHBondContact O-OG 2.91Å; R354-S357 WeakPolarHBondContact O-CB 3.41Å; R354-S357 PolarHBondContact O-N 3.35Å; G355-S357 VanDerWaalsContact C-N 3.31Å; G355-S357 PolarHBondContact O-N 2.92Å; S357-I359 PolarHBondContact O-N 2.97Å; S357-I359 VanDerWaalsContact O-N 3.17Å; S357-A360 PolarHBondContact O-N 3.3Å; S357-S361 PolarHBondContact O-N 3.42Å; S357-S361 VanDerWaalsContact O-N 3.1Å; S357-S361 PolarHBondContact O-OG 3.26Å |
| 358 | G | 83.3 | Confident | 85.2 | Confident | 23 Ų | 23 | 18.5 Ų | 18.5 | 24% | 0.237 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64 | -17.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D420 | G358-D420 VanDerWaalsContact CA-OD2 3.31Å; G358-D420 WeakPolarHBondContact CA-OD2 3.31Å |
| 359 | I | 85.5 | Confident | 84.8 | Confident | 20 Ų | 20 | 24 Ų | 24 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -84.5 | -45.8 | 174.9 | -65.7 | 176.1 | 0 | 0 | 0 | 110.2 | T323 R329 I332 L356 S357 A363 | T323-I359 WeakPolarHBondContact OG1-CD1 3.41Å; R329-I359 HydrophobicContact CB-CD1 4.01Å; R329-I359 HydrophobicContact CB-CG2 4.36Å; R329-I359 HydrophobicContact CG-CD1 4.05Å; R329-I359 HydrophobicContact CG-CG1 4.03Å; R329-I359 HydrophobicContact CG-CG2 3.88Å; I332-I359 HydrophobicContact CB-CG2 3.95Å; I332-I359 HydrophobicContact CD1-CG2 4.42Å; I332-I359 HydrophobicContact CG2-CG2 3.85Å; L356-I359 PolarHBondContact O-N 2.74Å; S357-I359 PolarHBondContact O-N 2.97Å; S357-I359 VanDerWaalsContact O-N 3.17Å; I359-A363 PolarHBondContact O-N 2.92Å |
| 360 | A | 88.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.8 | -45.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | F318 I336 V347 T349 L356 S357 G362 A363 V364 | F318-A360 HydrophobicContact CD2-CB 3.84Å; F318-A360 HydrophobicContact CE2-CB 3.91Å; F318-A360 HydrophobicContact CG-CB 4.28Å; F318-A360 HydrophobicContact CZ-CB 4.4Å; I336-A360 HydrophobicContact CD1-CB 3.71Å; I336-A360 WeakPolarHBondContact CD1-O 3.29Å; V347-A360 HydrophobicContact CG1-CB 4.01Å; T349-A360 HydrophobicContact CG2-CB 4.15Å; L356-A360 WeakPolarHBondContact O-CB 3.46Å; L356-A360 PolarHBondContact O-N 3.3Å; S357-A360 PolarHBondContact O-N 3.3Å; A360-G362 PolarHBondContact O-N 3.42Å; A360-A363 WeakPolarHBondContact O-CB 3.5Å; A360-A363 PolarHBondContact O-N 2.97Å; A360-V364 PolarHBondContact O-N 2.72Å |
| 361 | S | 87.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 178.2 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | S357 A363 V364 K365 D420 | S357-S361 PolarHBondContact O-N 3.42Å; S357-S361 VanDerWaalsContact O-N 3.1Å; S357-S361 PolarHBondContact O-OG 3.26Å; S361-A363 VanDerWaalsContact C-N 3.25Å; S361-A363 PolarHBondContact O-N 3.13Å; S361-V364 PolarHBondContact O-N 3.46Å; S361-K365 PolarHBondContact O-N 3.15Å; S361-D420 WeakPolarHBondContact CB-OD2 3.15Å; S361-D420 PolarHBondContact OG-OD1 2.88Å; S361-D420 PolarHBondContact OG-OD2 2.91Å |
| 362 | G | 86.4 | Confident | 84.2 | Confident | 18 Ų | 18 | 33.3 Ų | 33.3 | 19% | 0.186 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -35.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A360 D366 | A360-G362 PolarHBondContact O-N 3.42Å; G362-D366 VanDerWaalsContact O-CG 3.3Å; G362-D366 PolarHBondContact O-N 2.96Å |
| 363 | A | 88.1 | Confident | 83.9 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.6 | -36.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R333 I336 I359 A360 S361 F367 | R333-A363 HydrophobicContact CB-CB 4.26Å; R333-A363 HydrophobicContact CG-CB 4.08Å; I336-A363 HydrophobicContact CB-CB 4.16Å; I336-A363 HydrophobicContact CD1-CB 4.07Å; I336-A363 HydrophobicContact CG2-CB 4.25Å; I359-A363 PolarHBondContact O-N 2.92Å; A360-A363 WeakPolarHBondContact O-CB 3.5Å; A360-A363 PolarHBondContact O-N 2.97Å; S361-A363 VanDerWaalsContact C-N 3.25Å; S361-A363 PolarHBondContact O-N 3.13Å; A363-F367 PolarHBondContact O-N 2.91Å |
| 364 | V | 88.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.2 | -45.8 | 176.5 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | I336 V347 A360 S361 D366 F367 I368 V376 A378 | I336-V364 HydrophobicContact CG2-CG2 3.81Å; V347-V364 HydrophobicContact CB-CG2 4.28Å; V347-V364 HydrophobicContact CG2-CG2 3.93Å; A360-V364 PolarHBondContact O-N 2.72Å; S361-V364 PolarHBondContact O-N 3.46Å; V364-D366 VanDerWaalsContact C-N 3.33Å; V364-D366 PolarHBondContact O-N 3.38Å; V364-F367 WeakPolarHBondContact O-CB 3.11Å; V364-F367 PolarHBondContact O-N 2.89Å; V364-F367 VanDerWaalsContact O-N 3.09Å; V364-I368 HydrophobicContact CG1-CD1 3.73Å; V364-I368 HydrophobicContact CG1-CG1 4.28Å; V364-I368 WeakPolarHBondContact O-CG1 3.48Å; V364-I368 PolarHBondContact O-N 3.24Å; V364-V376 HydrophobicContact CB-CG1 4.39Å; V364-V376 HydrophobicContact CG1-CB 4.25Å; V364-V376 HydrophobicContact CG1-CG1 3.8Å; V364-V376 HydrophobicContact CG2-CG1 3.86Å; V364-A378 HydrophobicContact CB-CB 4.15Å; V364-A378 HydrophobicContact CG1-CB 3.92Å; V364-A378 HydrophobicContact CG2-CB 4.12Å |
| 365 | K | 87.3 | Confident | 84 | Confident | 28 Ų | 28 | 36.5 Ų | 36.5 | 12% | 0.122 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55 | -47.4 | 174.7 | 172.9 | 172.7 | 172.4 | 168.6 | 0 | 112.5 | T280 Y283 S361 F367 I368 Q369 N422 | T280-K365 PolarHBondContact OG1-NZ 3.08Å; Y283-K365 HydrophobicContact CE1-CG 4.46Å; S361-K365 PolarHBondContact O-N 3.15Å; K365-F367 PolarHBondContact O-N 3.5Å; K365-I368 PolarHBondContact O-N 2.85Å; K365-Q369 WeakPolarHBondContact O-CG 3.44Å; K365-Q369 PolarHBondContact O-N 3.29Å; K365-N422 HydrophobicContact CB-CB 4.13Å; K365-N422 HydrophobicContact CD-CB 4.01Å; K365-N422 WeakPolarHBondContact CD-OD1 3.5Å; K365-N422 PolarHBondContact NZ-OD1 2.94Å |
| 366 | D | 85.9 | Confident | 84.5 | Confident | 50 Ų | 50 | 35.9 Ų | 35.9 | 27% | 0.267 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.1 | -27.5 | 179.9 | -72.9 | 2.8 | 0 | 0 | 0 | 112.3 | R333 W337 G362 V364 | R333-D366 IonicContact CZ-OD2 3.93Å; R333-D366 IonicContact NH1-OD2 3.16Å; R333-D366 PolarHBondContact NH1-OD2 3.47Å; R333-D366 IonicContact NH2-OD2 2.67Å; R333-D366 PolarHBondContact NH2-OD2 3.17Å; W337-D366 HydrophobicContact CZ3-CB 4.23Å; G362-D366 VanDerWaalsContact O-CG 3.3Å; G362-D366 PolarHBondContact O-N 2.96Å; V364-D366 VanDerWaalsContact C-N 3.33Å; V364-D366 PolarHBondContact O-N 3.38Å |
| 367 | F | 87.7 | Confident | 84.8 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75.5 | -47.2 | 173 | -173.3 | -80.4 | 0 | 0 | 0 | 112.2 | W337 S340 A363 V364 K365 Q369 A370 Y371 Q375 V376 | W337-F367 HydrophobicContact CD2-CD2 4.02Å; W337-F367 HydrophobicContact CE3-CB 4.33Å; W337-F367 HydrophobicContact CE3-CD2 4.28Å; W337-F367 HydrophobicContact CG-CD2 4.27Å; W337-F367 HydrophobicContact CZ3-CB 4.37Å; S340-F367 VanDerWaalsContact CB-CE2 3.44Å; A363-F367 PolarHBondContact O-N 2.91Å; V364-F367 WeakPolarHBondContact O-CB 3.11Å; V364-F367 PolarHBondContact O-N 2.89Å; V364-F367 VanDerWaalsContact O-N 3.09Å; K365-F367 PolarHBondContact O-N 3.5Å; F367-Q369 VanDerWaalsContact C-N 3.29Å; F367-Q369 PolarHBondContact O-N 3.25Å; F367-A370 WeakPolarHBondContact O-CB 3.36Å; F367-A370 PolarHBondContact O-N 3.48Å; F367-Y371 HydrophobicContact CD1-CD2 4.28Å; F367-Y371 HydrophobicContact CD2-CD2 4.04Å; F367-Y371 HydrophobicContact CD2-CE2 4.31Å; F367-Y371 AromaticContact CE1-CD2 3.99Å; F367-Y371 HydrophobicContact CE1-CD2 3.99Å; F367-Y371 HydrophobicContact CE1-CG 4.25Å; F367-Y371 AromaticContact CE2-CD2 3.76Å; F367-Y371 HydrophobicContact CE2-CD2 3.76Å; F367-Y371 AromaticContact CE2-CE2 3.96Å; F367-Y371 HydrophobicContact CE2-CE2 3.96Å; F367-Y371 HydrophobicContact CG-CD2 4.31Å; F367-Y371 AromaticContact CZ-CD2 3.73Å; F367-Y371 HydrophobicContact CZ-CD2 3.73Å; F367-Y371 HydrophobicContact CZ-CE2 4.3Å; F367-Y371 HydrophobicContact CZ-CG 4.13Å; F367-Y371 PolarHBondContact O-N 2.9Å; F367-Q375 HydrophobicContact CE1-CB 4.09Å; F367-V376 HydrophobicContact CD1-CB 4.46Å; F367-V376 HydrophobicContact CD1-CG2 3.4Å; F367-V376 HydrophobicContact CE1-CG2 3.49Å; F367-V376 VanDerWaalsContact CE1-CG2 3.49Å; F367-V376 HydrophobicContact CG-CG2 4.07Å; F367-V376 HydrophobicContact CZ-CG2 4.21Å |
| 368 | I | 85.9 | Confident | 85.2 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 179.6 | -66.9 | 170.5 | 0 | 0 | 0 | 110.4 | Y283 V364 K365 A370 G372 E373 T424 | Y283-I368 HydrophobicContact CD1-CD1 4.42Å; Y283-I368 HydrophobicContact CD1-CG2 3.84Å; Y283-I368 HydrophobicContact CE1-CB 4.36Å; Y283-I368 HydrophobicContact CE1-CD1 4.09Å; Y283-I368 HydrophobicContact CE1-CG2 4.17Å; V364-I368 HydrophobicContact CG1-CD1 3.73Å; V364-I368 HydrophobicContact CG1-CG1 4.28Å; V364-I368 WeakPolarHBondContact O-CG1 3.48Å; V364-I368 PolarHBondContact O-N 3.24Å; K365-I368 PolarHBondContact O-N 2.85Å; I368-A370 PolarHBondContact O-N 2.93Å; I368-G372 WeakPolarHBondContact O-CA 3.21Å; I368-G372 PolarHBondContact O-N 3.22Å; I368-E373 HydrophobicContact CG2-CG 3.94Å; I368-T424 HydrophobicContact CD1-CG2 3.52Å |
| 369 | Q | 84.2 | Confident | 85.7 | Confident | 117 Ų | 117 | 35.9 Ų | 35.9 | 55% | 0.547 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.1 | -19.2 | 174.8 | -71.5 | -175.1 | -6.7 | 0 | 0 | 114.1 | A282 K365 F367 | A282-Q369 HydrophobicContact CB-CG 4.27Å; K365-Q369 WeakPolarHBondContact O-CG 3.44Å; K365-Q369 PolarHBondContact O-N 3.29Å; F367-Q369 VanDerWaalsContact C-N 3.29Å; F367-Q369 PolarHBondContact O-N 3.25Å |
| 370 | A | 84.7 | Confident | 85.9 | Confident | 59 Ų | 59 | 35 Ų | 35 | 49% | 0.488 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -98.1 | -35.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | W337 F367 I368 | W337-A370 HydrophobicContact CH2-CB 3.94Å; W337-A370 HydrophobicContact CZ2-CB 4.38Å; F367-A370 WeakPolarHBondContact O-CB 3.36Å; F367-A370 PolarHBondContact O-N 3.48Å; I368-A370 PolarHBondContact O-N 2.93Å |
| 371 | Y | 83 | Confident | 86.1 | Confident | 121 Ų | 121 | 35 Ų | 35 | 48% | 0.475 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -120.7 | -11.5 | -173 | -67.4 | -84.2 | 0 | 0 | 0 | 115.1 | W337 F367 | W337-Y371 AromaticContact CZ2-CE2 3.8Å; W337-Y371 HydrophobicContact CZ2-CE2 3.8Å; F367-Y371 HydrophobicContact CD1-CD2 4.28Å; F367-Y371 HydrophobicContact CD2-CD2 4.04Å; F367-Y371 HydrophobicContact CD2-CE2 4.31Å; F367-Y371 AromaticContact CE1-CD2 3.99Å; F367-Y371 HydrophobicContact CE1-CD2 3.99Å; F367-Y371 HydrophobicContact CE1-CG 4.25Å; F367-Y371 AromaticContact CE2-CD2 3.76Å; F367-Y371 HydrophobicContact CE2-CD2 3.76Å; F367-Y371 AromaticContact CE2-CE2 3.96Å; F367-Y371 HydrophobicContact CE2-CE2 3.96Å; F367-Y371 HydrophobicContact CG-CD2 4.31Å; F367-Y371 AromaticContact CZ-CD2 3.73Å; F367-Y371 HydrophobicContact CZ-CD2 3.73Å; F367-Y371 HydrophobicContact CZ-CE2 4.3Å; F367-Y371 HydrophobicContact CZ-CG 4.13Å; F367-Y371 PolarHBondContact O-N 2.9Å |
| 372 | G | 80.7 | Confident | 86.2 | Confident | 34 Ų | 34 | 35 Ų | 35 | 35% | 0.351 | 19% | 0.194 | S | C | . | . | trans | 88.7 | 178.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I368 | I368-G372 WeakPolarHBondContact O-CA 3.21Å; I368-G372 PolarHBondContact O-N 3.22Å | ||
| 373 | E | 75.9 | Confident | 86.3 | Confident | 133 Ų | 133 | 34.2 Ų | 34.2 | 62% | 0.621 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -77.1 | 167.7 | -177.1 | -63.8 | 175.2 | 166.4 | 0 | 0 | 113.4 | Y283 I368 | Y283-E373 WeakPolarHBondContact CB-OE1 3.31Å; I368-E373 HydrophobicContact CG2-CG 3.94Å |
| 374 | G | 75.3 | Confident | 86.3 | Confident | 30 Ų | 30 | 34.6 Ų | 34.6 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 91.7 | -7.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | S310 | S310-G374 PolarHBondContact OG-O 3.41Š|
| 375 | Q | 82.1 | Confident | 86.1 | Confident | 92 Ų | 92 | 35 Ų | 35 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -93 | -26.3 | 166.5 | -63.4 | -65.1 | -9.3 | 0 | 0 | 112.8 | K344 T345 F367 | K344-Q375 WeakPolarHBondContact CA-O 3.15Å; T345-Q375 PolarHBondContact N-O 3.11Å; F367-Q375 HydrophobicContact CE1-CB 4.09Å |
| 376 | V | 88 | Confident | 85.8 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 131.5 | -172.4 | -159.7 | 0 | 0 | 0 | 0 | 110 | S340 T345 V364 F367 | S340-V376 WeakPolarHBondContact OG-CG1 3.46Å; S340-V376 WeakPolarHBondContact OG-CG2 3.47Å; T345-V376 WeakPolarHBondContact O-CA 3.24Å; V364-V376 HydrophobicContact CB-CG1 4.39Å; V364-V376 HydrophobicContact CG1-CB 4.25Å; V364-V376 HydrophobicContact CG1-CG1 3.8Å; V364-V376 HydrophobicContact CG2-CG1 3.86Å; F367-V376 HydrophobicContact CD1-CB 4.46Å; F367-V376 HydrophobicContact CD1-CG2 3.4Å; F367-V376 HydrophobicContact CE1-CG2 3.49Å; F367-V376 VanDerWaalsContact CE1-CG2 3.49Å; F367-V376 HydrophobicContact CG-CG2 4.07Å; F367-V376 HydrophobicContact CZ-CG2 4.21Å |
| 377 | E | 89 | Confident | 85.7 | Confident | 26 Ų | 26 | 32.1 Ų | 32.1 | 12% | 0.121 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.7 | 174.4 | -62.2 | -57.6 | 152.7 | 0 | 0 | 110.3 | L309 T345 W346 V347 T424 Q425 | L309-E377 HydrophobicContact CD2-CG 4.25Å; T345-E377 PolarHBondContact O-N 3.16Å; T345-E377 VanDerWaalsContact O-N 3.16Å; W346-E377 CarbonylContact C-O 3.58Å; W346-E377 WeakPolarHBondContact CA-O 3.32Å; W346-E377 HydrophobicContact CG-CB 4.28Å; V347-E377 PolarHBondContact N-O 3.5Å; E377-T424 WeakPolarHBondContact OE2-CB 3.36Å; E377-T424 PolarHBondContact OE2-OG1 3.44Å; E377-Q425 PolarHBondContact OE2-NE2 2.88Å; E377-Q425 VanDerWaalsContact OE2-NE2 3.09Å |
| 378 | A | 91.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 109.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V347 V364 L423 T424 Q425 | V347-A378 CarbonylContact O-C 3.22Å; V347-A378 WeakPolarHBondContact O-CA 3.48Å; V364-A378 HydrophobicContact CB-CB 4.15Å; V364-A378 HydrophobicContact CG1-CB 3.92Å; V364-A378 HydrophobicContact CG2-CB 4.12Å; A378-L423 HydrophobicContact CB-CD2 3.96Å; A378-T424 PolarHBondContact N-OG1 3.32Å; A378-T424 PolarHBondContact O-N 2.91Å; A378-T424 PolarHBondContact O-OG1 2.94Å; A378-Q425 PolarHBondContact O-N 2.69Å |
| 379 | I | 93.3 | Very high | 84.8 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 112.9 | -174.4 | -49.8 | -176.5 | 0 | 0 | 0 | 109.2 | F303 W346 V347 I348 T349 Q425 I427 | F303-I379 HydrophobicContact CE1-CD1 4.23Å; W346-I379 HydrophobicContact CD2-CD1 4.37Å; W346-I379 HydrophobicContact CE3-CD1 3.86Å; W346-I379 HydrophobicContact CZ3-CD1 4.18Å; V347-I379 PolarHBondContact O-N 2.82Å; I348-I379 WeakPolarHBondContact CA-O 3.45Å; T349-I379 PolarHBondContact N-O 3.32Å; I379-Q425 HydrophobicContact CG1-CB 4.4Å; I379-I427 HydrophobicContact CG2-CD1 3.59Å; I379-I427 HydrophobicContact CG2-CG1 4.19Å |
| 380 | G | 91.5 | Very high | 84.6 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q425 I427 | G380-Q425 PolarHBondContact N-O 3.32Å; G380-I427 PolarHBondContact O-N 3.14Å |
| 381 | I | 92.7 | Very high | 84.3 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 95.6 | 175 | -55.2 | 178.4 | 0 | 0 | 0 | 108.2 | I348 T349 D350 I427 V429 E440 F443 R444 I447 | I348-I381 HydrophobicContact CG2-CD1 3.84Å; I348-I381 HydrophobicContact CG2-CG1 4.36Å; T349-I381 PolarHBondContact O-N 3.11Å; D350-I381 CarbonylContact C-O 3.54Å; D350-I381 VanDerWaalsContact C-O 3.31Å; D350-I381 WeakPolarHBondContact CA-O 3.13Å; I381-I427 WeakPolarHBondContact CA-O 3.29Å; I381-I427 HydrophobicContact CG1-CD1 4.44Å; I381-V429 HydrophobicContact CG2-CG2 3.51Å; I381-E440 HydrophobicContact CG2-CB 4.16Å; I381-F443 HydrophobicContact CG2-CD1 4.03Å; I381-F443 HydrophobicContact CG2-CE1 4.47Å; I381-R444 HydrophobicContact CD1-CB 4.08Å; I381-R444 HydrophobicContact CD1-CG 4.02Å; I381-I447 HydrophobicContact CD1-CD1 4.17Å |
| 382 | A | 88.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 143.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113 | W384 I387 L419 I427 F428 V429 | A382-W384 PolarHBondContact O-N 3.25Å; A382-I387 HydrophobicContact CB-CD1 4.13Å; A382-I387 HydrophobicContact CB-CG1 4.47Å; A382-L419 HydrophobicContact CB-CD2 4.04Å; A382-I427 PolarHBondContact N-O 3.41Å; A382-F428 HydrophobicContact CB-CD1 4.25Å; A382-F428 CarbonylContact O-C 3.52Å; A382-F428 WeakPolarHBondContact O-CA 3.04Å; A382-V429 PolarHBondContact O-N 2.54Å |
| 383 | P | 89 | Confident | 84.4 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 108 | 177.1 | 27.3 | -31.2 | 0 | 0 | 0 | 112.6 | K385 F386 F417 Y439 E440 | P383-K385 VanDerWaalsContact C-N 3.29Å; P383-K385 PolarHBondContact O-N 2.95Å; P383-K385 VanDerWaalsContact O-N 3.08Å; P383-F386 HydrophobicContact CB-CD2 4.08Å; P383-F386 HydrophobicContact CG-CB 4.25Å; P383-F386 HydrophobicContact CG-CD2 4.31Å; P383-F386 PolarHBondContact O-N 3.3Å; P383-F417 HydrophobicContact CG-CD2 4.12Å; P383-F417 HydrophobicContact CG-CE2 3.96Å; P383-Y439 WeakPolarHBondContact CA-OH 3.34Å; P383-Y439 HydrophobicContact CB-CD1 4.48Å; P383-Y439 HydrophobicContact CB-CE1 3.71Å; P383-Y439 HydrophobicContact CB-CE2 4.17Å; P383-Y439 WeakPolarHBondContact CB-OH 3.2Å; P383-E440 WeakPolarHBondContact CB-OE2 3.26Å; P383-E440 WeakPolarHBondContact CG-OE2 3.39Å |
| 384 | W | 88 | Confident | 84.8 | Confident | 13 Ų | 13 | 25 Ų | 25 | 5% | 0.049 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -44.7 | -44.5 | -175.1 | 175.2 | -103.3 | 0 | 0 | 0 | 115.6 | T272 R289 A382 F386 I387 N390 F393 V394 F428 V429 D430 Y439 | T272-W384 HydrophobicContact CG2-CH2 4.03Å; T272-W384 HydrophobicContact CG2-CZ2 4.4Å; R289-W384 HydrophobicContact CG-CD2 4.17Å; R289-W384 HydrophobicContact CG-CE3 4.26Å; R289-W384 HydrophobicContact CG-CG 4.35Å; R289-W384 VanDerWaalsContact NE-CD1 3.31Å; A382-W384 PolarHBondContact O-N 3.25Å; W384-F386 PolarHBondContact O-N 2.82Å; W384-I387 HydrophobicContact CE3-CD1 4.36Å; W384-I387 PolarHBondContact O-N 3.19Å; W384-N390 HydrophobicContact CD2-CB 4.48Å; W384-N390 HydrophobicContact CE3-CB 4.34Å; W384-N390 HydrophobicContact CH2-CB 3.94Å; W384-N390 WeakPolarHBondContact CH2-O 3.43Å; W384-N390 HydrophobicContact CZ2-CB 4.04Å; W384-N390 HydrophobicContact CZ3-CB 4.08Å; W384-N390 PolarHBondContact O-ND2 3.32Å; W384-N390 VanDerWaalsContact O-ND2 3.14Å; W384-F393 HydrophobicContact CH2-CB 4.14Å; W384-F393 HydrophobicContact CZ3-CB 4.14Å; W384-F393 HydrophobicContact CZ3-CD2 4.37Å; W384-V394 HydrophobicContact CH2-CG2 3.85Å; W384-V394 HydrophobicContact CZ2-CG2 3.87Å; W384-F428 HydrophobicContact CB-CB 4.31Å; W384-F428 HydrophobicContact CE3-CB 3.79Å; W384-F428 AromaticContact CE3-CD2 3.87Å; W384-F428 HydrophobicContact CE3-CD2 3.87Å; W384-F428 AromaticContact CE3-CG 3.92Å; W384-F428 HydrophobicContact CE3-CG 3.92Å; W384-F428 AromaticContact CZ3-CD2 3.83Å; W384-F428 HydrophobicContact CZ3-CD2 3.83Å; W384-F428 HydrophobicContact CZ3-CE2 4.32Å; W384-F428 HydrophobicContact CZ3-CG 4.35Å; W384-V429 WeakPolarHBondContact CB-O 3.16Å; W384-V429 PolarHBondContact N-O 3.34Å; W384-D430 HydrophobicContact CB-CB 3.94Å; W384-D430 HydrophobicContact CG-CB 4.4Å; W384-Y439 PolarHBondContact N-OH 3.23Å |
| 385 | K | 83.2 | Confident | 85 | Confident | 8 Ų | 8 | 24.2 Ų | 24.2 | 4% | 0.035 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -74.1 | -11 | -175.7 | -75.9 | 174 | 176.1 | 136.2 | 0 | 114.1 | C238 N239 P383 D430 T431 L435 | C238-K385 WeakPolarHBondContact O-CB 3.49Å; C238-K385 WeakPolarHBondContact O-CD 3.33Å; C238-K385 WeakPolarHBondContact O-CG 3.5Å; N239-K385 WeakPolarHBondContact CB-O 3.42Å; N239-K385 PolarHBondContact ND2-O 2.6Å; P383-K385 VanDerWaalsContact C-N 3.29Å; P383-K385 PolarHBondContact O-N 2.95Å; P383-K385 VanDerWaalsContact O-N 3.08Å; K385-D430 VanDerWaalsContact CD-OD1 3.29Å; K385-D430 WeakPolarHBondContact CD-OD1 3.41Å; K385-D430 WeakPolarHBondContact CE-OD1 3.37Å; K385-D430 IonicContact NZ-OD1 3.54Å; K385-D430 PolarHBondContact NZ-OD1 2.6Å; K385-D430 IonicContact NZ-OD2 2.68Å; K385-T431 PolarHBondContact NZ-O 3.27Å; K385-L435 HydrophobicContact CB-CD1 3.89Å; K385-L435 HydrophobicContact CD-CD1 3.68Å; K385-L435 HydrophobicContact CG-CD1 4.42Å |
| 386 | F | 82.2 | Confident | 84.6 | Confident | 16 Ų | 16 | 26.9 Ų | 26.9 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -105.7 | -1.6 | 175.3 | -66.9 | -92.5 | 0 | 0 | 0 | 112.6 | P383 W384 H416 F417 L435 P437 Y439 | P383-F386 HydrophobicContact CB-CD2 4.08Å; P383-F386 HydrophobicContact CG-CB 4.25Å; P383-F386 HydrophobicContact CG-CD2 4.31Å; P383-F386 PolarHBondContact O-N 3.3Å; W384-F386 PolarHBondContact O-N 2.82Å; F386-H416 CarbonylContact O-C 3.6Å; F386-H416 WeakPolarHBondContact O-CA 3.26Å; F386-F417 HydrophobicContact CB-CD2 3.56Å; F386-F417 HydrophobicContact CB-CE2 3.57Å; F386-F417 HydrophobicContact CB-CG 4.24Å; F386-F417 HydrophobicContact CB-CZ 4.27Å; F386-F417 HydrophobicContact CD1-CE2 4.27Å; F386-F417 HydrophobicContact CD1-CZ 4.21Å; F386-F417 HydrophobicContact CG-CD2 4.45Å; F386-F417 AromaticContact CG-CE2 3.97Å; F386-F417 HydrophobicContact CG-CE2 3.97Å; F386-F417 HydrophobicContact CG-CZ 4.37Å; F386-F417 PolarHBondContact O-N 3.33Å; F386-L435 HydrophobicContact CE1-CD2 4.39Å; F386-L435 HydrophobicContact CE2-CD1 3.85Å; F386-L435 HydrophobicContact CE2-CD2 4.03Å; F386-L435 HydrophobicContact CE2-CG 3.81Å; F386-L435 HydrophobicContact CZ-CD1 4.34Å; F386-L435 HydrophobicContact CZ-CD2 3.69Å; F386-L435 HydrophobicContact CZ-CG 3.8Å; F386-P437 HydrophobicContact CE1-CB 4.44Å; F386-P437 HydrophobicContact CZ-CB 4.12Å; F386-Y439 HydrophobicContact CD2-CE1 4.26Å; F386-Y439 HydrophobicContact CE2-CE1 4.11Å |
| 387 | I | 83.9 | Confident | 83.9 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -73.5 | 133.9 | 179.4 | -68.9 | 170.2 | 0 | 0 | 0 | 111.3 | A382 W384 N390 L419 F428 | A382-I387 HydrophobicContact CB-CD1 4.13Å; A382-I387 HydrophobicContact CB-CG1 4.47Å; W384-I387 HydrophobicContact CE3-CD1 4.36Å; W384-I387 PolarHBondContact O-N 3.19Å; I387-N390 HydrophobicContact CB-CB 4.07Å; I387-N390 HydrophobicContact CG2-CB 3.9Å; I387-L419 HydrophobicContact CD1-CD1 4.37Å; I387-L419 HydrophobicContact CD1-CD2 3.96Å; I387-L419 HydrophobicContact CD1-CG 4.43Å; I387-L419 HydrophobicContact CG1-CD2 4.02Å; I387-L419 HydrophobicContact CG1-CG 4.33Å; I387-L419 HydrophobicContact CG2-CD1 3.75Å; I387-L419 HydrophobicContact CG2-CD2 4.44Å; I387-L419 HydrophobicContact CG2-CG 3.83Å; I387-F428 HydrophobicContact CD1-CB 4.5Å; I387-F428 HydrophobicContact CD1-CD1 3.31Å; I387-F428 HydrophobicContact CD1-CE1 3.59Å; I387-F428 HydrophobicContact CD1-CG 3.98Å; I387-F428 HydrophobicContact CD1-CZ 4.43Å |
| 388 | S | 78.2 | Confident | 83.4 | Confident | 14 Ų | 14 | 26.9 Ų | 26.9 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 138 | 167.8 | 60.7 | 0 | 0 | 0 | 0 | 111.5 | N390 F417 | S388-N390 PolarHBondContact O-N 3.29Å; S388-F417 PolarHBondContact N-O 3.47Å; S388-F417 PolarHBondContact OG-O 2.74Å |
| 389 | D | 75.1 | Confident | 82.5 | Confident | 87 Ų | 87 | 28.2 Ų | 28.2 | 47% | 0.465 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 29.2 | 175.5 | -51 | -43.4 | 0 | 0 | 0 | 114.9 | K391 I392 | D389-K391 PolarHBondContact O-N 3.27Å; D389-I392 HydrophobicContact CB-CD1 3.77Å; D389-I392 HydrophobicContact CB-CG1 4.36Å; D389-I392 WeakPolarHBondContact O-CG1 3.17Å; D389-I392 PolarHBondContact O-N 3.03Å |
| 390 | N | 80.8 | Confident | 81.7 | Confident | 21 Ų | 21 | 28.3 Ų | 28.3 | 11% | 0.112 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -56.5 | -19.8 | -176.5 | 65.6 | 5.9 | 0 | 0 | 0 | 114.8 | W384 I387 S388 I392 F393 | W384-N390 HydrophobicContact CD2-CB 4.48Å; W384-N390 HydrophobicContact CE3-CB 4.34Å; W384-N390 HydrophobicContact CH2-CB 3.94Å; W384-N390 WeakPolarHBondContact CH2-O 3.43Å; W384-N390 HydrophobicContact CZ2-CB 4.04Å; W384-N390 HydrophobicContact CZ3-CB 4.08Å; W384-N390 PolarHBondContact O-ND2 3.32Å; W384-N390 VanDerWaalsContact O-ND2 3.14Å; I387-N390 HydrophobicContact CB-CB 4.07Å; I387-N390 HydrophobicContact CG2-CB 3.9Å; S388-N390 PolarHBondContact O-N 3.29Å; N390-I392 PolarHBondContact O-N 3.13Å; N390-F393 PolarHBondContact O-N 3.46Å |
| 391 | K | 78.8 | Confident | 81.1 | Confident | 102 Ų | 102 | 30 Ų | 30 | 44% | 0.443 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -52.4 | -34 | 170 | -72.4 | -179.9 | 167.3 | -176.8 | 0 | 114.5 | E244 D389 F393 V394 | E244-K391 WeakPolarHBondContact OE1-CE 3.01Å; E244-K391 IonicContact OE1-NZ 2.73Å; E244-K391 PolarHBondContact OE1-NZ 3.23Å; E244-K391 WeakPolarHBondContact OE2-CE 3.47Å; E244-K391 IonicContact OE2-NZ 3.76Å; D389-K391 PolarHBondContact O-N 3.27Å; K391-F393 PolarHBondContact O-N 3.3Å; K391-F393 VanDerWaalsContact O-N 3.15Å; K391-V394 WeakPolarHBondContact O-CB 3.32Å; K391-V394 PolarHBondContact O-N 3.35Å |
| 392 | I | 82.6 | Confident | 80 | Confident | 58 Ų | 58 | 35.1 Ų | 35.1 | 30% | 0.297 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -59.5 | -29.3 | -176.5 | -62.4 | 170.6 | 0 | 0 | 0 | 111.3 | D389 N390 V394 | D389-I392 HydrophobicContact CB-CD1 3.77Å; D389-I392 HydrophobicContact CB-CG1 4.36Å; D389-I392 WeakPolarHBondContact O-CG1 3.17Å; D389-I392 PolarHBondContact O-N 3.03Å; N390-I392 PolarHBondContact O-N 3.13Å; I392-V394 VanDerWaalsContact C-N 3.34Å |
| 393 | F | 83.7 | Confident | 79.2 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -86.7 | 0.9 | -179.7 | -55 | -69.8 | 0 | 0 | 0 | 114.1 | T272 I276 F287 W384 N390 K391 P395 A404 F406 L419 F428 | T272-F393 WeakPolarHBondContact CG2-O 3.27Å; I276-F393 HydrophobicContact CD1-CE1 3.68Å; I276-F393 HydrophobicContact CD1-CZ 4.34Å; I276-F393 HydrophobicContact CG1-CE1 4.02Å; F287-F393 HydrophobicContact CD1-CD1 4.26Å; F287-F393 HydrophobicContact CD2-CB 4.3Å; F287-F393 HydrophobicContact CD2-CD1 4.2Å; F287-F393 HydrophobicContact CE1-CD1 4.13Å; F287-F393 HydrophobicContact CE2-CB 3.74Å; F287-F393 HydrophobicContact CE2-CD1 4.08Å; F287-F393 HydrophobicContact CE2-CG 4.32Å; F287-F393 HydrophobicContact CG-CD1 4.29Å; F287-F393 HydrophobicContact CZ-CB 4.14Å; F287-F393 HydrophobicContact CZ-CD1 4.04Å; W384-F393 HydrophobicContact CH2-CB 4.14Å; W384-F393 HydrophobicContact CZ3-CB 4.14Å; W384-F393 HydrophobicContact CZ3-CD2 4.37Å; N390-F393 PolarHBondContact O-N 3.46Å; K391-F393 PolarHBondContact O-N 3.3Å; K391-F393 VanDerWaalsContact O-N 3.15Å; F393-P395 WeakPolarHBondContact O-CD 3.22Å; F393-A404 HydrophobicContact CD1-CB 3.98Å; F393-A404 HydrophobicContact CE1-CB 4.2Å; F393-F406 HydrophobicContact CZ-CD2 4.11Å; F393-L419 HydrophobicContact CE2-CD1 3.62Å; F393-L419 HydrophobicContact CZ-CD1 3.72Å; F393-F428 HydrophobicContact CB-CE2 4.5Å; F393-F428 HydrophobicContact CD1-CE2 4.27Å; F393-F428 HydrophobicContact CD2-CE2 4.18Å; F393-F428 HydrophobicContact CD2-CZ 4.37Å; F393-F428 HydrophobicContact CE2-CZ 4.28Å; F393-F428 HydrophobicContact CG-CE2 4.04Å; F393-F428 HydrophobicContact CZ-CZ 4.34Å |
| 394 | V | 83.5 | Confident | 78.4 | Confident | 45 Ų | 45 | 36.5 Ų | 36.5 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | trans | -102.4 | 107.1 | -175.1 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | T272 W384 K391 I392 | T272-V394 HydrophobicContact CG2-CB 4.17Å; T272-V394 HydrophobicContact CG2-CG1 4.3Å; T272-V394 HydrophobicContact CG2-CG2 3.76Å; W384-V394 HydrophobicContact CH2-CG2 3.85Å; W384-V394 HydrophobicContact CZ2-CG2 3.87Å; K391-V394 WeakPolarHBondContact O-CB 3.32Å; K391-V394 PolarHBondContact O-N 3.35Å; I392-V394 VanDerWaalsContact C-N 3.34Å | ||
| 395 | P | 78.5 | Confident | 77.7 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | trans | -75.6 | 160.8 | 177 | 28.6 | -30.7 | 0 | 0 | 0 | 111.7 | K271 F393 D397 L401 | K271-P395 HydrophobicContact CB-CG 4.17Å; K271-P395 HydrophobicContact CD-CG 4.48Å; K271-P395 WeakPolarHBondContact CD-O 3.28Å; K271-P395 WeakPolarHBondContact CE-O 3.39Å; K271-P395 HydrophobicContact CG-CG 4.3Å; K271-P395 PolarHBondContact NZ-O 3.43Å; K271-P395 WeakPolarHBondContact O-CD 3.49Å; K271-P395 WeakPolarHBondContact O-CG 3.41Å; F393-P395 WeakPolarHBondContact O-CD 3.22Å; P395-D397 WeakPolarHBondContact CB-O 3.46Å; P395-D397 WeakPolarHBondContact CG-O 3.49Å; P395-L401 HydrophobicContact CB-CD1 3.61Å; P395-L401 HydrophobicContact CB-CG 4.28Å; P395-L401 HydrophobicContact CG-CD1 3.9Å | ||
| 396 | D | 73.7 | Confident | 77 | Confident | 148 Ų | 148 | 41 Ų | 41 | 79% | 0.791 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -68.6 | -46.2 | 169.1 | -63.9 | -43.6 | 0 | 0 | 0 | 111 | K271 | K271-D396 PolarHBondContact NZ-O 3.23Š|
| 397 | D | 73.9 | Confident | 76 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -94.4 | 162 | -176.9 | -58.2 | -21.5 | 0 | 0 | 0 | 112.8 | A180 K183 P395 S399 | A180-D397 WeakPolarHBondContact CA-OD1 3.41Å; K183-D397 WeakPolarHBondContact CD-OD2 3.4Å; K183-D397 WeakPolarHBondContact CE-OD2 3.22Å; K183-D397 IonicContact NZ-OD2 2.94Å; K183-D397 PolarHBondContact NZ-OD2 3.36Å; P395-D397 WeakPolarHBondContact CB-O 3.46Å; P395-D397 WeakPolarHBondContact CG-O 3.49Å; D397-S399 PolarHBondContact O-N 3.02Å |
| 398 | Y | 77.9 | Confident | 74.9 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 9.4 | 173.5 | -84.1 | -88.3 | 0 | 0 | 0 | 115.3 | V149 P215 P269 K271 G400 | V149-Y398 HydrophobicContact CB-CE1 4.46Å; V149-Y398 HydrophobicContact CB-CE2 4.47Å; V149-Y398 HydrophobicContact CG1-CD1 4.12Å; V149-Y398 HydrophobicContact CG1-CE1 4.12Å; V149-Y398 HydrophobicContact CG2-CD1 4.07Å; V149-Y398 HydrophobicContact CG2-CD2 3.59Å; V149-Y398 HydrophobicContact CG2-CE1 4.32Å; V149-Y398 HydrophobicContact CG2-CE2 3.85Å; V149-Y398 HydrophobicContact CG2-CG 3.7Å; P215-Y398 HydrophobicContact CB-CD1 4.47Å; P269-Y398 HydrophobicContact CB-CE1 4.09Å; K271-Y398 HydrophobicContact CB-CD1 3.76Å; K271-Y398 HydrophobicContact CB-CE1 3.9Å; K271-Y398 HydrophobicContact CB-CG 4.28Å; Y398-G400 VanDerWaalsContact C-N 3.3Å; Y398-G400 PolarHBondContact O-N 3.49Å |
| 399 | S | 73.4 | Confident | 74 | Confident | 27 Ų | 27 | 50.7 Ų | 50.7 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 5 | 177.5 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | F211 D397 | F211-S399 VanDerWaalsContact CD1-O 3.32Å; F211-S399 WeakPolarHBondContact CD1-O 3.48Å; D397-S399 PolarHBondContact O-N 3.02Å |
| 400 | G | 76.5 | Confident | 73.4 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | trans | 71.9 | -179.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F273 Y398 | F273-G400 WeakPolarHBondContact O-CA 3.29Å; Y398-G400 VanDerWaalsContact C-N 3.3Å; Y398-G400 PolarHBondContact O-N 3.49Å | ||
| 401 | L | 77.9 | Confident | 72.4 | Confident | 37 Ų | 37 | 52.4 Ų | 52.4 | 19% | 0.194 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 134.5 | 160.8 | -83 | 91.7 | 0 | 0 | 0 | 108.8 | F273 G274 F287 P395 S403 A404 | F273-L401 PolarHBondContact O-N 2.86Å; G274-L401 VanDerWaalsContact CA-O 3.25Å; G274-L401 WeakPolarHBondContact CA-O 3.3Å; F287-L401 HydrophobicContact CZ-CB 4.49Å; F287-L401 HydrophobicContact CZ-CD1 4.47Å; P395-L401 HydrophobicContact CB-CD1 3.61Å; P395-L401 HydrophobicContact CB-CG 4.28Å; P395-L401 HydrophobicContact CG-CD1 3.9Å; L401-S403 WeakPolarHBondContact CD2-O 3.34Å; L401-S403 PolarHBondContact O-N 3.05Å; L401-A404 HydrophobicContact CD2-CB 3.93Å |
| 402 | S | 70.1 | Confident | 71.6 | Confident | 107 Ų | 107 | 50.4 Ų | 50.4 | 75% | 0.748 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | -27.8 | 164.8 | 55.3 | 0 | 0 | 0 | 0 | 112 | ||
| 403 | S | 72 | Confident | 70.8 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 20% | 0.203 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 126.5 | 177.9 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | D275 E277 L401 | D275-S403 CarbonylContact O-C 3.5Å; D275-S403 WeakPolarHBondContact O-CA 3.36Å; E277-S403 VanDerWaalsContact CB-OG 3.28Å; E277-S403 WeakPolarHBondContact CB-OG 3.33Å; E277-S403 WeakPolarHBondContact CG-OG 3.26Å; E277-S403 WeakPolarHBondContact OE1-CB 3.46Å; E277-S403 PolarHBondContact OE1-OG 3.46Å; L401-S403 WeakPolarHBondContact CD2-O 3.34Å; L401-S403 PolarHBondContact O-N 3.05Å |
| 404 | A | 73.4 | Confident | 69.9 | Low | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D275 I276 E277 F287 F393 L401 F406 | D275-A404 PolarHBondContact O-N 3.33Å; I276-A404 CarbonylContact C-O 3.58Å; I276-A404 WeakPolarHBondContact CA-O 3.28Å; I276-A404 VanDerWaalsContact CG2-O 3.29Å; I276-A404 WeakPolarHBondContact CG2-O 3.43Å; E277-A404 PolarHBondContact N-O 2.93Å; F287-A404 HydrophobicContact CE1-CB 4.02Å; F287-A404 HydrophobicContact CZ-CB 4.48Å; F393-A404 HydrophobicContact CD1-CB 3.98Å; F393-A404 HydrophobicContact CE1-CB 4.2Å; L401-A404 HydrophobicContact CD2-CB 3.93Å; A404-F406 PolarHBondContact O-N 2.85Å |
| 405 | T | 72.6 | Confident | 69.2 | Low | 98 Ų | 98 | 59.9 Ų | 59.9 | 60% | 0.601 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 111.9 | 178.8 | 43.2 | 0 | 0 | 0 | 0 | 111.4 | E277 | E277-T405 HydrophobicContact CB-CG2 4.25Å |
| 406 | F | 67.9 | Low | 69.1 | Low | 17 Ų | 17 | 61.2 Ų | 61.2 | 8% | 0.075 | 36% | 0.362 | C | S | . | . | trans | -100.9 | 116.6 | -174.8 | 178.9 | -104.6 | 0 | 0 | 0 | 112.9 | I276 E277 P279 F393 A404 L419 P421 | I276-F406 HydrophobicContact CG2-CB 3.71Å; E277-F406 PolarHBondContact O-N 3.28Å; P279-F406 WeakPolarHBondContact CD-O 3.5Å; P279-F406 WeakPolarHBondContact CG-O 3.32Å; F393-F406 HydrophobicContact CZ-CD2 4.11Å; A404-F406 PolarHBondContact O-N 2.85Å; F406-L419 HydrophobicContact CE2-CB 4.11Å; F406-L419 HydrophobicContact CZ-CB 3.95Å; F406-P421 HydrophobicContact CD1-CB 4.29Å; F406-P421 HydrophobicContact CE1-CB 4.01Å | ||
| 407 | S | 61.6 | Low | 69.3 | Low | 66 Ų | 66 | 55 Ų | 55 | 46% | 0.462 | 33% | 0.328 | S | S | . | . | trans | -106.3 | 110.2 | 173.1 | 63 | 0 | 0 | 0 | 0 | 112.2 | T409 | S407-T409 VanDerWaalsContact C-N 3.28Å; S407-T409 PolarHBondContact O-N 2.95Å | ||
| 408 | S | 59.9 | Low | 69.8 | Low | 53 Ų | 53 | 54.2 Ų | 54.2 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | trans | -78.9 | 68.7 | 179.1 | -164.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 409 | T | 60.4 | Low | 70.2 | Confident | 117 Ų | 117 | 54 Ų | 54 | 72% | 0.718 | 32% | 0.323 | S | S | * | . | trans | -105.9 | -16 | 177 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | S407 | S407-T409 VanDerWaalsContact C-N 3.28Å; S407-T409 PolarHBondContact O-N 2.95Å | ||
| 410 | A | 61.6 | Low | 70.7 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | trans | -67.2 | 145.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | V418 | A410-V418 HydrophobicContact CB-CG2 4.11Å; A410-V418 WeakPolarHBondContact O-CG2 3.4Å | ||
| 411 | T | 60.9 | Low | 71 | Confident | 109 Ų | 109 | 53.7 Ų | 53.7 | 67% | 0.669 | 32% | 0.319 | S | S | * | . | trans | -93.4 | 135.4 | 171.6 | 47.8 | 0 | 0 | 0 | 0 | 110.6 | N413 | T411-N413 PolarHBondContact O-N 3.46Å; T411-N413 PolarHBondContact O-ND2 3.39Å; T411-N413 VanDerWaalsContact O-ND2 3.15Å | ||
| 412 | D | 61.9 | Low | 71.3 | Confident | 60 Ų | 60 | 53.2 Ų | 53.2 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | trans | -64.3 | 114.3 | 177.9 | -117.1 | -35.7 | 0 | 0 | 0 | 110.3 | R354 F417 V418 | R354-D412 WeakPolarHBondContact CG-OD2 3.46Å; R354-D412 IonicContact CZ-OD1 3.82Å; R354-D412 VanDerWaalsContact CZ-OD1 3.23Å; R354-D412 IonicContact NE-OD1 2.99Å; R354-D412 PolarHBondContact NE-OD1 3.43Å; R354-D412 IonicContact NE-OD2 3.7Å; R354-D412 PolarHBondContact NE-OD2 2.98Å; R354-D412 IonicContact NH2-OD1 2.73Å; R354-D412 PolarHBondContact NH2-OD1 2.96Å; D412-F417 WeakPolarHBondContact OD1-CA 3.29Å; D412-V418 HydrophobicContact CB-CG2 4.19Å; D412-V418 PolarHBondContact OD1-N 3.35Å | ||
| 413 | N | 66.4 | Low | 72.1 | Confident | 89 Ų | 89 | 48.1 Ų | 48.1 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -118 | 154.2 | 179.7 | -77 | -59.3 | 0 | 0 | 0 | 109.8 | R354 T411 K415 H416 | R354-N413 PolarHBondContact NH2-O 3.16Å; T411-N413 PolarHBondContact O-N 3.46Å; T411-N413 PolarHBondContact O-ND2 3.39Å; T411-N413 VanDerWaalsContact O-ND2 3.15Å; N413-K415 PolarHBondContact O-N 3.21Å; N413-H416 PolarHBondContact N-O 3.11Å; N413-H416 VanDerWaalsContact N-O 3.15Å; N413-H416 CarbonylContact O-C 3.6Å; N413-H416 PolarHBondContact O-N 3.26Å; N413-H416 VanDerWaalsContact O-N 3.11Å |
| 414 | N | 64.3 | Low | 72.8 | Confident | 139 Ų | 139 | 47.4 Ų | 47.4 | 74% | 0.743 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -3 | 176 | -72.3 | -11.4 | 0 | 0 | 0 | 114.1 | ||
| 415 | K | 68.5 | Low | 73.7 | Confident | 77 Ų | 77 | 47.5 Ų | 47.5 | 34% | 0.335 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -38.4 | 172.8 | -59.4 | 175.1 | 176.9 | -176.3 | 0 | 112.8 | Y232 L235 N239 N413 | Y232-K415 HydrophobicContact CD1-CD 4.44Å; Y232-K415 VanDerWaalsContact CD1-CE 3.45Å; Y232-K415 HydrophobicContact CD2-CG 4.39Å; Y232-K415 HydrophobicContact CE1-CG 4.32Å; Y232-K415 HydrophobicContact CE2-CG 4.12Å; L235-K415 HydrophobicContact CD1-CB 4.43Å; L235-K415 HydrophobicContact CD1-CD 4.26Å; L235-K415 HydrophobicContact CD1-CG 4.49Å; N239-K415 PolarHBondContact ND2-O 3.5Å; N413-K415 PolarHBondContact O-N 3.21Å |
| 416 | H | 76.1 | Confident | 74.6 | Confident | 41 Ų | 41 | 43 Ų | 43 | 19% | 0.19 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -146 | 132.9 | -173.4 | -63.3 | 91 | 0 | 0 | 0 | 111.3 | N239 F386 N413 | N239-H416 PolarHBondContact ND2-NE2 2.78Å; N239-H416 PolarHBondContact O-NE2 3.37Å; F386-H416 CarbonylContact O-C 3.6Å; F386-H416 WeakPolarHBondContact O-CA 3.26Å; N413-H416 PolarHBondContact N-O 3.11Å; N413-H416 VanDerWaalsContact N-O 3.15Å; N413-H416 CarbonylContact O-C 3.6Å; N413-H416 PolarHBondContact O-N 3.26Å; N413-H416 VanDerWaalsContact O-N 3.11Å |
| 417 | F | 79.1 | Confident | 75.8 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -91.4 | 136.7 | -179.1 | -49.6 | -34.4 | 0 | 0 | 0 | 111.2 | T352 R354 P383 F386 S388 D412 | T352-F417 HydrophobicContact CG2-CB 3.57Å; T352-F417 HydrophobicContact CG2-CD2 3.96Å; T352-F417 HydrophobicContact CG2-CG 4.05Å; R354-F417 VanDerWaalsContact CZ-CD1 3.44Å; P383-F417 HydrophobicContact CG-CD2 4.12Å; P383-F417 HydrophobicContact CG-CE2 3.96Å; F386-F417 HydrophobicContact CB-CD2 3.56Å; F386-F417 HydrophobicContact CB-CE2 3.57Å; F386-F417 HydrophobicContact CB-CG 4.24Å; F386-F417 HydrophobicContact CB-CZ 4.27Å; F386-F417 HydrophobicContact CD1-CE2 4.27Å; F386-F417 HydrophobicContact CD1-CZ 4.21Å; F386-F417 HydrophobicContact CG-CD2 4.45Å; F386-F417 AromaticContact CG-CE2 3.97Å; F386-F417 HydrophobicContact CG-CE2 3.97Å; F386-F417 HydrophobicContact CG-CZ 4.37Å; F386-F417 PolarHBondContact O-N 3.33Å; S388-F417 PolarHBondContact N-O 3.47Å; S388-F417 PolarHBondContact OG-O 2.74Å; D412-F417 WeakPolarHBondContact OD1-CA 3.29Å |
| 418 | V | 83.3 | Confident | 77.2 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -81.1 | 127.7 | 173.6 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | T352 K353 A410 D412 | T352-V418 WeakPolarHBondContact CA-O 3.23Å; K353-V418 HydrophobicContact CD-CG1 4.4Å; K353-V418 PolarHBondContact N-O 3.38Å; A410-V418 HydrophobicContact CB-CG2 4.11Å; A410-V418 WeakPolarHBondContact O-CG2 3.4Å; D412-V418 HydrophobicContact CB-CG2 4.19Å; D412-V418 PolarHBondContact OD1-N 3.35Å |
| 419 | L | 85.6 | Confident | 78.7 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -66.2 | 146.9 | 172.9 | -73.9 | 177.1 | 0 | 0 | 0 | 111.7 | G351 A382 I387 F393 F406 P421 Y426 F428 | G351-L419 WeakPolarHBondContact O-CD2 3.4Å; A382-L419 HydrophobicContact CB-CD2 4.04Å; I387-L419 HydrophobicContact CD1-CD1 4.37Å; I387-L419 HydrophobicContact CD1-CD2 3.96Å; I387-L419 HydrophobicContact CD1-CG 4.43Å; I387-L419 HydrophobicContact CG1-CD2 4.02Å; I387-L419 HydrophobicContact CG1-CG 4.33Å; I387-L419 HydrophobicContact CG2-CD1 3.75Å; I387-L419 HydrophobicContact CG2-CD2 4.44Å; I387-L419 HydrophobicContact CG2-CG 3.83Å; F393-L419 HydrophobicContact CE2-CD1 3.62Å; F393-L419 HydrophobicContact CZ-CD1 3.72Å; F406-L419 HydrophobicContact CE2-CB 4.11Å; F406-L419 HydrophobicContact CZ-CB 3.95Å; L419-P421 WeakPolarHBondContact O-CD 3.27Å; L419-Y426 HydrophobicContact CD2-CD1 4.41Å; L419-F428 HydrophobicContact CD1-CE1 3.8Å; L419-F428 HydrophobicContact CD1-CZ 3.82Å; L419-F428 HydrophobicContact CD2-CE1 3.89Å |
| 420 | D | 85 | Confident | 80 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | trans | -93.6 | 111.1 | -177.7 | 178.5 | 5.7 | 0 | 0 | 0 | 112 | G351 K353 G358 S361 N422 L423 Y426 | G351-D420 PolarHBondContact O-N 3.24Å; K353-D420 HydrophobicContact CB-CB 4.5Å; G358-D420 VanDerWaalsContact CA-OD2 3.31Å; G358-D420 WeakPolarHBondContact CA-OD2 3.31Å; S361-D420 WeakPolarHBondContact CB-OD2 3.15Å; S361-D420 PolarHBondContact OG-OD1 2.88Å; S361-D420 PolarHBondContact OG-OD2 2.91Å; D420-N422 PolarHBondContact O-N 3.08Å; D420-N422 PolarHBondContact OD1-N 3.36Å; D420-N422 PolarHBondContact OD1-ND2 3.49Å; D420-L423 HydrophobicContact CB-CD1 4.04Å; D420-L423 HydrophobicContact CB-CG 4.49Å; D420-Y426 PolarHBondContact O-OH 2.99Å | ||
| 421 | P | 82.7 | Confident | 81.1 | Confident | 27 Ų | 27 | 29.4 Ų | 29.4 | 18% | 0.175 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 1.8 | -170.3 | 29 | -36.8 | 0 | 0 | 0 | 115.5 | L278 F406 L419 | L278-P421 WeakPolarHBondContact CD1-O 3.36Å; L278-P421 HydrophobicContact CD2-CB 3.9Å; L278-P421 VanDerWaalsContact CD2-O 3.28Å; L278-P421 WeakPolarHBondContact CD2-O 3.42Å; F406-P421 HydrophobicContact CD1-CB 4.29Å; F406-P421 HydrophobicContact CE1-CB 4.01Å; L419-P421 WeakPolarHBondContact O-CD 3.27Å |
| 422 | N | 84.5 | Confident | 81.9 | Confident | 28 Ų | 28 | 26.3 Ų | 26.3 | 15% | 0.15 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 7.9 | -171.6 | -47.2 | -70.8 | 0 | 0 | 0 | 113.9 | Y283 K365 D420 | Y283-N422 PolarHBondContact OH-O 3.45Å; K365-N422 HydrophobicContact CB-CB 4.13Å; K365-N422 HydrophobicContact CD-CB 4.01Å; K365-N422 WeakPolarHBondContact CD-OD1 3.5Å; K365-N422 PolarHBondContact NZ-OD1 2.94Å; D420-N422 PolarHBondContact O-N 3.08Å; D420-N422 PolarHBondContact OD1-N 3.36Å; D420-N422 PolarHBondContact OD1-ND2 3.49Å |
| 423 | L | 87.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -85.5 | 148.9 | -179.2 | -61.8 | 162.3 | 0 | 0 | 0 | 111.6 | P285 A378 D420 Y426 | P285-L423 WeakPolarHBondContact CB-O 3.22Å; A378-L423 HydrophobicContact CB-CD2 3.96Å; D420-L423 HydrophobicContact CB-CD1 4.04Å; D420-L423 HydrophobicContact CB-CG 4.49Å; L423-Y426 HydrophobicContact CB-CE1 4.16Å; L423-Y426 HydrophobicContact CB-CE2 4.17Å; L423-Y426 HydrophobicContact CD1-CD1 4.15Å; L423-Y426 HydrophobicContact CD1-CE1 3.7Å; L423-Y426 HydrophobicContact CG-CE1 4.49Å | ||
| 424 | T | 86.9 | Confident | 82.4 | Confident | 13 Ų | 13 | 33 Ų | 33 | 8% | 0.08 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -84.7 | -24.5 | 176.3 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | Y283 P285 N286 I368 E377 A378 | Y283-T424 HydrophobicContact CD2-CG2 4.34Å; Y283-T424 HydrophobicContact CE2-CG2 3.97Å; P285-T424 WeakPolarHBondContact CA-O 3.48Å; P285-T424 VanDerWaalsContact CB-C 3.43Å; P285-T424 WeakPolarHBondContact CB-O 3.41Å; N286-T424 PolarHBondContact N-O 3.1Å; I368-T424 HydrophobicContact CD1-CG2 3.52Å; E377-T424 WeakPolarHBondContact OE2-CB 3.36Å; E377-T424 PolarHBondContact OE2-OG1 3.44Å; A378-T424 PolarHBondContact N-OG1 3.32Å; A378-T424 PolarHBondContact O-N 2.91Å; A378-T424 PolarHBondContact O-OG1 2.94Å |
| 425 | Q | 90.9 | Very high | 82.6 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.019 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 144.5 | -179.2 | -69.5 | 150.3 | 46.1 | 0 | 0 | 111.5 | N286 W307 L309 E377 A378 I379 G380 | N286-Q425 CarbonylContact O-C 3.43Å; N286-Q425 WeakPolarHBondContact O-CA 3.12Å; W307-Q425 HydrophobicContact CD2-CG 4.34Å; W307-Q425 HydrophobicContact CE3-CB 4.34Å; W307-Q425 HydrophobicContact CE3-CG 3.74Å; W307-Q425 HydrophobicContact CH2-CB 4.17Å; W307-Q425 HydrophobicContact CH2-CG 4.36Å; W307-Q425 HydrophobicContact CZ3-CB 3.82Å; W307-Q425 HydrophobicContact CZ3-CG 3.75Å; L309-Q425 VanDerWaalsContact CD1-NE2 3.31Å; L309-Q425 VanDerWaalsContact CD1-OE1 3.28Å; L309-Q425 VanDerWaalsContact CD2-NE2 3.25Å; E377-Q425 PolarHBondContact OE2-NE2 2.88Å; E377-Q425 VanDerWaalsContact OE2-NE2 3.09Å; A378-Q425 PolarHBondContact O-N 2.69Å; I379-Q425 HydrophobicContact CG1-CB 4.4Å; G380-Q425 PolarHBondContact N-O 3.32Å |
| 426 | Y | 91 | Very high | 82.5 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.3 | 175.8 | -59.6 | -101.6 | 0 | 0 | 0 | 111.7 | I276 P285 N286 F287 I288 L419 D420 L423 F428 | I276-Y426 HydrophobicContact CD1-CD2 3.62Å; I276-Y426 HydrophobicContact CD1-CE2 3.53Å; I276-Y426 HydrophobicContact CD1-CG 4.3Å; P285-Y426 HydrophobicContact CB-CD2 4.24Å; P285-Y426 HydrophobicContact CB-CE2 3.81Å; P285-Y426 HydrophobicContact CG-CE2 3.8Å; N286-Y426 PolarHBondContact O-N 2.99Å; F287-Y426 WeakPolarHBondContact CA-O 3.34Å; I288-Y426 PolarHBondContact N-O 3.34Å; L419-Y426 HydrophobicContact CD2-CD1 4.41Å; D420-Y426 PolarHBondContact O-OH 2.99Å; L423-Y426 HydrophobicContact CB-CE1 4.16Å; L423-Y426 HydrophobicContact CB-CE2 4.17Å; L423-Y426 HydrophobicContact CD1-CD1 4.15Å; L423-Y426 HydrophobicContact CD1-CE1 3.7Å; L423-Y426 HydrophobicContact CG-CE1 4.49Å; Y426-F428 HydrophobicContact CD1-CE1 4Å; Y426-F428 HydrophobicContact CD1-CZ 4.27Å; Y426-F428 HydrophobicContact CG-CE1 4.24Å; Y426-F428 HydrophobicContact CG-CZ 4.22Å |
| 427 | I | 93.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 104.8 | 172 | -56.6 | 168 | 0 | 0 | 0 | 107.6 | I288 V290 M299 F303 W307 I379 G380 I381 A382 V429 F443 I447 | I288-I427 HydrophobicContact CG2-CG1 4.4Å; V290-I427 HydrophobicContact CG1-CG2 4.48Å; V290-I427 HydrophobicContact CG2-CG2 3.51Å; M299-I427 HydrophobicContact CE-CD1 3.7Å; M299-I427 HydrophobicContact CE-CG1 4.28Å; M299-I427 HydrophobicContact CE-CG2 4.43Å; F303-I427 HydrophobicContact CE1-CD1 4.32Å; F303-I427 HydrophobicContact CZ-CD1 4.39Å; W307-I427 HydrophobicContact CH2-CG1 4.03Å; W307-I427 HydrophobicContact CZ3-CG1 4.49Å; I379-I427 HydrophobicContact CG2-CD1 3.59Å; I379-I427 HydrophobicContact CG2-CG1 4.19Å; G380-I427 PolarHBondContact O-N 3.14Å; I381-I427 WeakPolarHBondContact CA-O 3.29Å; I381-I427 HydrophobicContact CG1-CD1 4.44Å; A382-I427 PolarHBondContact N-O 3.41Å; I427-V429 HydrophobicContact CG2-CG2 4.33Å; I427-V429 PolarHBondContact O-N 3.33Å; I427-F443 HydrophobicContact CG2-CE1 3.85Å; I427-F443 HydrophobicContact CG2-CZ 4.28Å; I427-I447 HydrophobicContact CD1-CD1 4.5Å |
| 428 | F | 92.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 102.7 | 177.6 | -55.5 | -43.8 | 0 | 0 | 0 | 110 | F287 I288 R289 V290 A382 W384 I387 F393 L419 Y426 | F287-F428 HydrophobicContact CB-CE2 3.88Å; F287-F428 HydrophobicContact CB-CZ 4.32Å; F287-F428 HydrophobicContact CD2-CD2 4.27Å; F287-F428 AromaticContact CD2-CE2 3.79Å; F287-F428 HydrophobicContact CD2-CE2 3.79Å; F287-F428 HydrophobicContact CG-CE2 4.13Å; I288-F428 PolarHBondContact O-N 3.11Å; R289-F428 CarbonylContact C-O 3.5Å; R289-F428 WeakPolarHBondContact CA-O 3.32Å; R289-F428 HydrophobicContact CB-CB 4.25Å; R289-F428 HydrophobicContact CG-CB 4.24Å; V290-F428 PolarHBondContact N-O 3.05Å; A382-F428 HydrophobicContact CB-CD1 4.25Å; A382-F428 CarbonylContact O-C 3.52Å; A382-F428 WeakPolarHBondContact O-CA 3.04Å; W384-F428 HydrophobicContact CB-CB 4.31Å; W384-F428 HydrophobicContact CE3-CB 3.79Å; W384-F428 AromaticContact CE3-CD2 3.87Å; W384-F428 HydrophobicContact CE3-CD2 3.87Å; W384-F428 AromaticContact CE3-CG 3.92Å; W384-F428 HydrophobicContact CE3-CG 3.92Å; W384-F428 AromaticContact CZ3-CD2 3.83Å; W384-F428 HydrophobicContact CZ3-CD2 3.83Å; W384-F428 HydrophobicContact CZ3-CE2 4.32Å; W384-F428 HydrophobicContact CZ3-CG 4.35Å; I387-F428 HydrophobicContact CD1-CB 4.5Å; I387-F428 HydrophobicContact CD1-CD1 3.31Å; I387-F428 HydrophobicContact CD1-CE1 3.59Å; I387-F428 HydrophobicContact CD1-CG 3.98Å; I387-F428 HydrophobicContact CD1-CZ 4.43Å; F393-F428 HydrophobicContact CB-CE2 4.5Å; F393-F428 HydrophobicContact CD1-CE2 4.27Å; F393-F428 HydrophobicContact CD2-CE2 4.18Å; F393-F428 HydrophobicContact CD2-CZ 4.37Å; F393-F428 HydrophobicContact CE2-CZ 4.28Å; F393-F428 HydrophobicContact CG-CE2 4.04Å; F393-F428 HydrophobicContact CZ-CZ 4.34Å; L419-F428 HydrophobicContact CD1-CE1 3.8Å; L419-F428 HydrophobicContact CD1-CZ 3.82Å; L419-F428 HydrophobicContact CD2-CE1 3.89Å; Y426-F428 HydrophobicContact CD1-CE1 4Å; Y426-F428 HydrophobicContact CD1-CZ 4.27Å; Y426-F428 HydrophobicContact CG-CE1 4.24Å; Y426-F428 HydrophobicContact CG-CZ 4.22Å |
| 429 | V | 90.8 | Very high | 81.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 135.9 | 179.5 | -169.5 | 0 | 0 | 0 | 0 | 109.2 | V290 D292 I381 A382 W384 I427 Y439 E440 F443 | V290-V429 HydrophobicContact CG2-CG2 4.28Å; D292-V429 HydrophobicContact CB-CG1 4.12Å; I381-V429 HydrophobicContact CG2-CG2 3.51Å; A382-V429 PolarHBondContact O-N 2.54Å; W384-V429 WeakPolarHBondContact CB-O 3.16Å; W384-V429 PolarHBondContact N-O 3.34Å; I427-V429 HydrophobicContact CG2-CG2 4.33Å; I427-V429 PolarHBondContact O-N 3.33Å; V429-Y439 HydrophobicContact CB-CE2 4.17Å; V429-Y439 HydrophobicContact CG1-CD2 4.26Å; V429-Y439 HydrophobicContact CG1-CE2 3.99Å; V429-Y439 VanDerWaalsContact O-CE2 3.25Å; V429-Y439 WeakPolarHBondContact O-CE2 3.46Å; V429-Y439 PolarHBondContact O-OH 3.1Å; V429-E440 HydrophobicContact CB-CB 4.28Å; V429-E440 HydrophobicContact CG2-CB 4.26Å; V429-F443 HydrophobicContact CG1-CB 4.29Å; V429-F443 HydrophobicContact CG1-CG 4.33Å; V429-F443 HydrophobicContact CG2-CD1 3.56Å; V429-F443 HydrophobicContact CG2-CE1 3.91Å; V429-F443 HydrophobicContact CG2-CG 4.16Å |
| 430 | D | 88.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 145.3 | 173.3 | -160.6 | -7.2 | 0 | 0 | 0 | 111.6 | P221 R289 V290 S291 D292 W384 K385 | P221-D430 HydrophobicContact CG-CB 3.87Å; R289-D430 IonicContact CZ-OD2 2.69Å; R289-D430 IonicContact NE-OD2 3.07Å; R289-D430 IonicContact NH2-OD2 2.67Å; R289-D430 PolarHBondContact NH2-OD2 3.08Å; V290-D430 PolarHBondContact O-N 2.89Å; S291-D430 CarbonylContact C-O 3.57Å; S291-D430 WeakPolarHBondContact CA-O 3.36Å; D292-D430 PolarHBondContact N-O 3.46Å; W384-D430 HydrophobicContact CB-CB 3.94Å; W384-D430 HydrophobicContact CG-CB 4.4Å; K385-D430 VanDerWaalsContact CD-OD1 3.29Å; K385-D430 WeakPolarHBondContact CD-OD1 3.41Å; K385-D430 WeakPolarHBondContact CE-OD1 3.37Å; K385-D430 IonicContact NZ-OD1 3.54Å; K385-D430 PolarHBondContact NZ-OD1 2.6Å; K385-D430 IonicContact NZ-OD2 2.68Å |
| 431 | T | 83.5 | Confident | 81.3 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | trans | -121.5 | 146.9 | -174.9 | -172 | 0 | 0 | 0 | 0 | 112.9 | D292 K385 K433 Y439 | D292-T431 VanDerWaalsContact CG-OG1 3.25Å; D292-T431 PolarHBondContact OD2-OG1 2.8Å; K385-T431 PolarHBondContact NZ-O 3.27Å; T431-K433 WeakPolarHBondContact OG1-CB 3.29Å; T431-K433 PolarHBondContact OG1-N 3.06Å; T431-Y439 HydrophobicContact CG2-CD1 3.68Å; T431-Y439 HydrophobicContact CG2-CD2 3.8Å; T431-Y439 HydrophobicContact CG2-CE1 3.93Å; T431-Y439 HydrophobicContact CG2-CE2 4.06Å; T431-Y439 HydrophobicContact CG2-CG 3.62Å | ||
| 432 | T | 77.2 | Confident | 81.2 | Confident | 44 Ų | 44 | 36.9 Ų | 36.9 | 27% | 0.27 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -84.9 | -8.9 | 170.6 | 48.4 | 0 | 0 | 0 | 0 | 113.3 | P221 Y265 D267 Q293 | P221-T432 HydrophobicContact CB-CG2 3.79Å; P221-T432 HydrophobicContact CG-CG2 4.27Å; Y265-T432 WeakPolarHBondContact CD2-O 3.38Å; D267-T432 WeakPolarHBondContact OD1-CG2 3.11Å; Q293-T432 PolarHBondContact NE2-OG1 2.8Å |
| 433 | K | 72.2 | Confident | 81.4 | Confident | 116 Ų | 116 | 36.2 Ų | 36.2 | 50% | 0.504 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -80.3 | -179.9 | -175.1 | -64.2 | 168.9 | -171.3 | 136.1 | 0 | 112.1 | D292 T431 L435 | D292-K433 IonicContact OD2-NZ 2.88Å; D292-K433 PolarHBondContact OD2-NZ 3.46Å; T431-K433 WeakPolarHBondContact OG1-CB 3.29Å; T431-K433 PolarHBondContact OG1-N 3.06Å; K433-L435 PolarHBondContact O-N 3.07Å |
| 434 | Q | 67.7 | Low | 81.4 | Confident | 173 Ų | 173 | 36.2 Ų | 36.2 | 81% | 0.808 | 19% | 0.186 | S | C | * | . | trans | -57.3 | 138.4 | 169.1 | -75.2 | -175.5 | -12.4 | 0 | 0 | 109.7 | V436 | Q434-V436 VanDerWaalsContact C-N 3.29Å; Q434-V436 PolarHBondContact O-N 2.81Å | ||
| 435 | L | 67.5 | Low | 81.3 | Confident | 40 Ų | 40 | 36.5 Ų | 36.5 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | trans | -75.4 | 82.6 | -176.2 | -165.5 | 87.7 | 0 | 0 | 0 | 110.5 | N239 K385 F386 K433 Y439 | N239-L435 HydrophobicContact CB-CD2 3.58Å; K385-L435 HydrophobicContact CB-CD1 3.89Å; K385-L435 HydrophobicContact CD-CD1 3.68Å; K385-L435 HydrophobicContact CG-CD1 4.42Å; F386-L435 HydrophobicContact CE1-CD2 4.39Å; F386-L435 HydrophobicContact CE2-CD1 3.85Å; F386-L435 HydrophobicContact CE2-CD2 4.03Å; F386-L435 HydrophobicContact CE2-CG 3.81Å; F386-L435 HydrophobicContact CZ-CD1 4.34Å; F386-L435 HydrophobicContact CZ-CD2 3.69Å; F386-L435 HydrophobicContact CZ-CG 3.8Å; K433-L435 PolarHBondContact O-N 3.07Å; L435-Y439 HydrophobicContact CD1-CE1 4.42Å | ||
| 436 | V | 66.7 | Low | 81 | Confident | 89 Ų | 89 | 39.2 Ų | 39.2 | 54% | 0.539 | 21% | 0.208 | S | C | . | . | trans | -86.9 | 136.2 | 163.1 | -167.1 | 0 | 0 | 0 | 0 | 106.6 | Q434 Y439 | Q434-V436 VanDerWaalsContact C-N 3.29Å; Q434-V436 PolarHBondContact O-N 2.81Å; V436-Y439 WeakPolarHBondContact O-CD1 3.5Å | ||
| 437 | P | 65 | Low | 80.9 | Confident | 62 Ų | 62 | 39.5 Ų | 39.5 | 40% | 0.403 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 150 | 166.6 | 27 | -35.1 | 0 | 0 | 0 | 109.8 | F386 | F386-P437 HydrophobicContact CE1-CB 4.44Å; F386-P437 HydrophobicContact CZ-CB 4.12Å |
| 438 | H | 72.4 | Confident | 80.6 | Confident | 50 Ų | 50 | 39.5 Ų | 39.5 | 23% | 0.231 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 35.1 | 175.5 | -48.8 | -58.7 | 0 | 0 | 0 | 117.3 | E440 Y441 S482 | H438-E440 VanDerWaalsContact C-OE2 3.23Å; H438-E440 WeakPolarHBondContact CA-OE1 3.47Å; H438-E440 WeakPolarHBondContact CA-OE2 3.4Å; H438-E440 IonicContact CG-OE1 3.61Å; H438-E440 IonicContact ND1-OE1 2.76Å; H438-E440 PolarHBondContact ND1-OE1 3.5Å; H438-E440 VanDerWaalsContact ND1-OE1 3.14Å; H438-E440 PolarHBondContact O-N 3.1Å; H438-Y441 HydrophobicContact CB-CD2 3.62Å; H438-Y441 HydrophobicContact CB-CE2 3.38Å; H438-Y441 HydrophobicContact CB-CG 4.38Å; H438-Y441 AromaticContact CG-CE2 3.79Å; H438-Y441 AromaticContact CG-CZ 3.96Å; H438-Y441 AromaticContact ND1-CZ 3.93Å; H438-S482 PolarHBondContact CD2-OG 3.26Å |
| 439 | Y | 78 | Confident | 80.2 | Confident | 19 Ų | 19 | 42 Ų | 42 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -21.9 | 174.5 | 60 | -100.1 | 0 | 0 | 0 | 113.3 | P383 W384 F386 V429 T431 L435 V436 Y441 | P383-Y439 WeakPolarHBondContact CA-OH 3.34Å; P383-Y439 HydrophobicContact CB-CD1 4.48Å; P383-Y439 HydrophobicContact CB-CE1 3.71Å; P383-Y439 HydrophobicContact CB-CE2 4.17Å; P383-Y439 WeakPolarHBondContact CB-OH 3.2Å; W384-Y439 PolarHBondContact N-OH 3.23Å; F386-Y439 HydrophobicContact CD2-CE1 4.26Å; F386-Y439 HydrophobicContact CE2-CE1 4.11Å; V429-Y439 HydrophobicContact CB-CE2 4.17Å; V429-Y439 HydrophobicContact CG1-CD2 4.26Å; V429-Y439 HydrophobicContact CG1-CE2 3.99Å; V429-Y439 VanDerWaalsContact O-CE2 3.25Å; V429-Y439 WeakPolarHBondContact O-CE2 3.46Å; V429-Y439 PolarHBondContact O-OH 3.1Å; T431-Y439 HydrophobicContact CG2-CD1 3.68Å; T431-Y439 HydrophobicContact CG2-CD2 3.8Å; T431-Y439 HydrophobicContact CG2-CE1 3.93Å; T431-Y439 HydrophobicContact CG2-CE2 4.06Å; T431-Y439 HydrophobicContact CG2-CG 3.62Å; L435-Y439 HydrophobicContact CD1-CE1 4.42Å; V436-Y439 WeakPolarHBondContact O-CD1 3.5Å; Y439-Y441 VanDerWaalsContact C-N 3.26Å; Y439-Y441 PolarHBondContact O-N 2.8Å |
| 440 | E | 83.6 | Confident | 79.8 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -25.2 | 178.5 | 66.2 | -79.5 | -176.4 | 0 | 0 | 114 | I381 P383 V429 H438 N442 F443 R444 | I381-E440 HydrophobicContact CG2-CB 4.16Å; P383-E440 WeakPolarHBondContact CB-OE2 3.26Å; P383-E440 WeakPolarHBondContact CG-OE2 3.39Å; V429-E440 HydrophobicContact CB-CB 4.28Å; V429-E440 HydrophobicContact CG2-CB 4.26Å; H438-E440 VanDerWaalsContact C-OE2 3.23Å; H438-E440 WeakPolarHBondContact CA-OE1 3.47Å; H438-E440 WeakPolarHBondContact CA-OE2 3.4Å; H438-E440 IonicContact CG-OE1 3.61Å; H438-E440 IonicContact ND1-OE1 2.76Å; H438-E440 PolarHBondContact ND1-OE1 3.5Å; H438-E440 VanDerWaalsContact ND1-OE1 3.14Å; H438-E440 PolarHBondContact O-N 3.1Å; E440-N442 VanDerWaalsContact C-N 3.26Å; E440-N442 PolarHBondContact O-N 3.22Å; E440-F443 WeakPolarHBondContact O-CB 3.46Å; E440-F443 PolarHBondContact O-N 3.05Å; E440-R444 PolarHBondContact O-N 2.9Å |
| 441 | Y | 84.6 | Confident | 79.7 | Confident | 16 Ų | 16 | 43.9 Ų | 43.9 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -32.6 | -178.2 | -66.6 | -25.2 | 0 | 0 | 0 | 113.6 | Y319 D350 H438 Y439 S445 A486 | Y319-Y441 HydrophobicContact CD1-CE1 4.31Å; Y319-Y441 HydrophobicContact CE1-CD1 4.23Å; Y319-Y441 HydrophobicContact CE1-CE1 4.41Å; D350-Y441 WeakPolarHBondContact OD1-CE1 3.1Å; H438-Y441 HydrophobicContact CB-CD2 3.62Å; H438-Y441 HydrophobicContact CB-CE2 3.38Å; H438-Y441 HydrophobicContact CB-CG 4.38Å; H438-Y441 AromaticContact CG-CE2 3.79Å; H438-Y441 AromaticContact CG-CZ 3.96Å; H438-Y441 AromaticContact ND1-CZ 3.93Å; Y439-Y441 VanDerWaalsContact C-N 3.26Å; Y439-Y441 PolarHBondContact O-N 2.8Å; Y441-S445 WeakPolarHBondContact O-CB 3.05Å; Y441-S445 PolarHBondContact O-N 3.35Å; Y441-S445 PolarHBondContact O-OG 2.92Å; Y441-A486 HydrophobicContact CD1-CB 4.19Å; Y441-A486 HydrophobicContact CD2-CB 3.54Å; Y441-A486 HydrophobicContact CE2-CB 4.08Å; Y441-A486 HydrophobicContact CG-CB 3.6Å |
| 442 | N | 81.5 | Confident | 79.5 | Confident | 114 Ų | 114 | 46.7 Ų | 46.7 | 61% | 0.61 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -67.2 | -42.9 | 175.4 | -64.1 | -61.4 | 0 | 0 | 0 | 111.6 | E440 S445 S446 | E440-N442 VanDerWaalsContact C-N 3.26Å; E440-N442 PolarHBondContact O-N 3.22Å; N442-S445 PolarHBondContact O-OG 2.95Å; N442-S446 PolarHBondContact O-N 3.36Å; N442-S446 VanDerWaalsContact O-N 3.15Å; N442-S446 PolarHBondContact O-OG 3.36Å |
| 443 | F | 87.6 | Confident | 79.4 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 6% | 0.057 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 177.1 | 179.5 | -98.1 | 0 | 0 | 0 | 110.8 | V290 M299 I381 I427 V429 E440 S446 I447 | V290-F443 HydrophobicContact CG2-CE1 4.32Å; V290-F443 HydrophobicContact CG2-CE2 4.43Å; V290-F443 HydrophobicContact CG2-CZ 3.93Å; M299-F443 HydrophobicContact CE-CZ 4.39Å; M299-F443 HydrophobicContact CG-CZ 4.2Å; M299-F443 HydrophobicContact SD-CZ 4.06Å; I381-F443 HydrophobicContact CG2-CD1 4.03Å; I381-F443 HydrophobicContact CG2-CE1 4.47Å; I427-F443 HydrophobicContact CG2-CE1 3.85Å; I427-F443 HydrophobicContact CG2-CZ 4.28Å; V429-F443 HydrophobicContact CG1-CB 4.29Å; V429-F443 HydrophobicContact CG1-CG 4.33Å; V429-F443 HydrophobicContact CG2-CD1 3.56Å; V429-F443 HydrophobicContact CG2-CE1 3.91Å; V429-F443 HydrophobicContact CG2-CG 4.16Å; E440-F443 WeakPolarHBondContact O-CB 3.46Å; E440-F443 PolarHBondContact O-N 3.05Å; F443-S446 WeakPolarHBondContact O-CB 3.46Å; F443-S446 PolarHBondContact O-N 3.18Å; F443-S446 VanDerWaalsContact O-N 3.11Å; F443-I447 HydrophobicContact CD1-CD1 3.92Å; F443-I447 HydrophobicContact CE1-CD1 3.31Å; F443-I447 HydrophobicContact CE1-CG1 4.29Å; F443-I447 HydrophobicContact CZ-CD1 3.72Å; F443-I447 HydrophobicContact CZ-CG1 4.47Å; F443-I447 PolarHBondContact O-N 2.99Å |
| 444 | R | 88.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57 | -50.5 | 173.8 | -176.9 | 171.8 | 178.5 | 175 | -0.7 | 112.4 | S317 F318 Y319 I348 D350 I381 E440 S446 I447 E448 | S317-R444 VanDerWaalsContact C-NH2 3.31Å; S317-R444 PolarHBondContact OG-NE 2.78Å; S317-R444 PolarHBondContact OG-NH2 3.26Å; F318-R444 VanDerWaalsContact C-NH2 3.34Å; F318-R444 VanDerWaalsContact O-CZ 3.31Å; F318-R444 PolarHBondContact O-NH1 3.24Å; F318-R444 PolarHBondContact O-NH2 2.77Å; Y319-R444 WeakPolarHBondContact OH-CD 3.1Å; Y319-R444 PolarHBondContact OH-NE 3.29Å; I348-R444 HydrophobicContact CG2-CG 4.4Å; I348-R444 PolarHBondContact O-NH2 3.36Å; D350-R444 IonicContact OD1-CZ 2.67Å; D350-R444 IonicContact OD1-NH1 2.79Å; D350-R444 PolarHBondContact OD1-NH1 3.07Å; D350-R444 IonicContact OD2-NH1 2.91Å; I381-R444 HydrophobicContact CD1-CB 4.08Å; I381-R444 HydrophobicContact CD1-CG 4.02Å; E440-R444 PolarHBondContact O-N 2.9Å; R444-S446 PolarHBondContact O-N 3.3Å; R444-I447 PolarHBondContact O-N 3.09Å; R444-I447 VanDerWaalsContact O-N 3.08Å; R444-E448 IonicContact NE-OE1 3.56Å; R444-E448 WeakPolarHBondContact O-CG 3.43Å; R444-E448 PolarHBondContact O-N 3.48Å |
| 445 | S | 84 | Confident | 79.7 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -28.1 | 177 | 75.1 | 0 | 0 | 0 | 0 | 113.2 | Y441 N442 L449 N493 | Y441-S445 WeakPolarHBondContact O-CB 3.05Å; Y441-S445 PolarHBondContact O-N 3.35Å; Y441-S445 PolarHBondContact O-OG 2.92Å; N442-S445 PolarHBondContact O-OG 2.95Å; S445-L449 PolarHBondContact O-N 3.22Å; S445-N493 PolarHBondContact O-ND2 3.37Å |
| 446 | S | 85.4 | Confident | 79.4 | Confident | 62 Ų | 62 | 44.7 Ų | 44.7 | 43% | 0.434 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -73.4 | -42.1 | 174.8 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | N442 F443 R444 L449 I450 | N442-S446 PolarHBondContact O-N 3.36Å; N442-S446 VanDerWaalsContact O-N 3.15Å; N442-S446 PolarHBondContact O-OG 3.36Å; F443-S446 WeakPolarHBondContact O-CB 3.46Å; F443-S446 PolarHBondContact O-N 3.18Å; F443-S446 VanDerWaalsContact O-N 3.11Å; R444-S446 PolarHBondContact O-N 3.3Å; S446-L449 PolarHBondContact O-N 3.17Å; S446-I450 WeakPolarHBondContact O-CG1 3.27Å; S446-I450 PolarHBondContact O-N 3.12Å |
| 447 | I | 88.5 | Confident | 79 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.3 | -48.8 | 174 | -73.6 | 177.7 | 0 | 0 | 0 | 111.3 | I381 I427 F443 R444 L449 I450 L451 | I381-I447 HydrophobicContact CD1-CD1 4.17Å; I427-I447 HydrophobicContact CD1-CD1 4.5Å; F443-I447 HydrophobicContact CD1-CD1 3.92Å; F443-I447 HydrophobicContact CE1-CD1 3.31Å; F443-I447 HydrophobicContact CE1-CG1 4.29Å; F443-I447 HydrophobicContact CZ-CD1 3.72Å; F443-I447 HydrophobicContact CZ-CG1 4.47Å; F443-I447 PolarHBondContact O-N 2.99Å; R444-I447 PolarHBondContact O-N 3.09Å; R444-I447 VanDerWaalsContact O-N 3.08Å; I447-L449 PolarHBondContact O-N 3.35Å; I447-I450 WeakPolarHBondContact O-CB 3.38Å; I447-I450 PolarHBondContact O-N 3.43Å; I447-L451 HydrophobicContact CG2-CD1 3.85Å; I447-L451 HydrophobicContact CG2-CG 4.26Å; I447-L451 WeakPolarHBondContact O-CG 3.38Å; I447-L451 PolarHBondContact O-N 3.47Å |
| 448 | E | 87.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.6 | -38.5 | 179.6 | -69.8 | 174.9 | 166.5 | 0 | 0 | 112.6 | S317 Y319 R444 I450 L451 K452 V472 I495 | S317-E448 WeakPolarHBondContact CB-OE1 3.3Å; S317-E448 PolarHBondContact OG-OE1 2.68Å; Y319-E448 VanDerWaalsContact OH-CD 3.3Å; Y319-E448 PolarHBondContact OH-OE1 3.31Å; Y319-E448 PolarHBondContact OH-OE2 2.98Å; R444-E448 IonicContact NE-OE1 3.56Å; R444-E448 WeakPolarHBondContact O-CG 3.43Å; R444-E448 PolarHBondContact O-N 3.48Å; E448-I450 PolarHBondContact O-N 3.5Å; E448-L451 PolarHBondContact O-N 2.87Å; E448-K452 WeakPolarHBondContact O-CB 3.37Å; E448-K452 PolarHBondContact O-N 3.21Å; E448-V472 HydrophobicContact CB-CG1 4.44Å; E448-V472 HydrophobicContact CG-CG1 4.46Å; E448-I495 HydrophobicContact CB-CD1 3.61Å; E448-I495 HydrophobicContact CG-CD1 4.47Å |
| 449 | L | 83.5 | Confident | 77.1 | Confident | 54 Ų | 54 | 50 Ų | 50 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.2 | -33.5 | 176.8 | -178.6 | 61.8 | 0 | 0 | 0 | 113.2 | S445 S446 I447 K453 N493 | S445-L449 PolarHBondContact O-N 3.22Å; S446-L449 PolarHBondContact O-N 3.17Å; I447-L449 PolarHBondContact O-N 3.35Å; L449-K453 WeakPolarHBondContact O-CG 3.36Å; L449-N493 HydrophobicContact CD1-CB 4.23Å |
| 450 | I | 83.1 | Confident | 75.5 | Confident | 38 Ų | 38 | 56.4 Ų | 56.4 | 20% | 0.195 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.6 | -49.2 | 175.4 | -53.6 | 154.1 | 0 | 0 | 0 | 109.5 | P296 M300 S446 I447 E448 K452 K453 W454 | P296-I450 HydrophobicContact CB-CD1 3.27Å; P296-I450 HydrophobicContact CB-CG1 3.99Å; M300-I450 HydrophobicContact CE-CG2 4.24Å; M300-I450 HydrophobicContact CG-CG2 3.9Å; M300-I450 HydrophobicContact SD-CG2 3.53Å; M300-I450 VanDerWaalsContact SD-CG2 3.53Å; S446-I450 WeakPolarHBondContact O-CG1 3.27Å; S446-I450 PolarHBondContact O-N 3.12Å; I447-I450 WeakPolarHBondContact O-CB 3.38Å; I447-I450 PolarHBondContact O-N 3.43Å; E448-I450 PolarHBondContact O-N 3.5Å; I450-K452 VanDerWaalsContact C-N 3.31Å; I450-K452 PolarHBondContact O-N 3.46Å; I450-K453 WeakPolarHBondContact O-CA 3.31Å; I450-K453 PolarHBondContact O-N 3.27Å; I450-W454 PolarHBondContact O-N 2.64Å; I450-W454 VanDerWaalsContact O-N 3.16Å |
| 451 | L | 85.4 | Confident | 73.7 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.9 | -45.1 | -178.2 | -65.4 | 175.9 | 0 | 0 | 0 | 110.7 | V315 W346 I348 I447 E448 K453 W454 V472 | V315-L451 HydrophobicContact CG1-CD1 4.14Å; V315-L451 HydrophobicContact CG2-CD1 4.28Å; W346-L451 HydrophobicContact CE3-CD1 4.36Å; W346-L451 HydrophobicContact CE3-CD2 4.19Å; W346-L451 HydrophobicContact CZ3-CD2 3.73Å; I348-L451 HydrophobicContact CD1-CD1 3.81Å; I447-L451 HydrophobicContact CG2-CD1 3.85Å; I447-L451 HydrophobicContact CG2-CG 4.26Å; I447-L451 WeakPolarHBondContact O-CG 3.38Å; I447-L451 PolarHBondContact O-N 3.47Å; E448-L451 PolarHBondContact O-N 2.87Å; L451-K453 PolarHBondContact O-N 2.62Å; L451-W454 HydrophobicContact CD2-CE3 3.92Å; L451-W454 HydrophobicContact CD2-CZ3 4.1Å; L451-W454 WeakPolarHBondContact O-CB 3.38Å; L451-W454 PolarHBondContact O-N 3.4Å; L451-W454 VanDerWaalsContact O-N 3.08Å; L451-V472 HydrophobicContact CB-CG2 4.37Å |
| 452 | K | 79.3 | Confident | 71.9 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 26% | 0.261 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.2 | -27.4 | 175.2 | -171.9 | 176 | 178.4 | -178.8 | 0 | 114.3 | E448 I450 V472 N493 T494 I495 | E448-K452 WeakPolarHBondContact O-CB 3.37Å; E448-K452 PolarHBondContact O-N 3.21Å; I450-K452 VanDerWaalsContact C-N 3.31Å; I450-K452 PolarHBondContact O-N 3.46Å; K452-V472 HydrophobicContact CB-CG2 3.94Å; K452-N493 PolarHBondContact NZ-O 2.95Å; K452-T494 PolarHBondContact NZ-O 3.05Å; K452-T494 PolarHBondContact NZ-OG1 3.46Å; K452-I495 HydrophobicContact CD-CG1 4.06Å |
| 453 | K | 74.8 | Confident | 70.5 | Confident | 151 Ų | 151 | 65.1 Ų | 65.1 | 66% | 0.657 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -90.4 | -9.2 | 178.5 | -72.1 | 174.7 | -178.9 | 173.8 | 0 | 113.7 | L449 I450 L451 | L449-K453 WeakPolarHBondContact O-CG 3.36Å; I450-K453 WeakPolarHBondContact O-CA 3.31Å; I450-K453 PolarHBondContact O-N 3.27Å; L451-K453 PolarHBondContact O-N 2.62Å |
| 454 | W | 76.1 | Confident | 68.7 | Low | 32 Ų | 32 | 66.5 Ų | 66.5 | 12% | 0.121 | 34% | 0.344 | C | S | . | . | trans | -77.7 | 145.9 | -175.5 | -163.5 | 20.5 | 0 | 0 | 0 | 110.9 | M300 T304 R311 W346 I450 L451 I470 | M300-W454 HydrophobicContact CE-CD2 3.53Å; M300-W454 VanDerWaalsContact CE-CE2 3.4Å; M300-W454 HydrophobicContact CE-CE3 3.89Å; M300-W454 HydrophobicContact CE-CG 3.93Å; M300-W454 HydrophobicContact CE-CH2 4.02Å; M300-W454 HydrophobicContact CE-CZ2 3.67Å; M300-W454 HydrophobicContact CE-CZ3 4.12Å; T304-W454 HydrophobicContact CG2-CH2 3.95Å; T304-W454 HydrophobicContact CG2-CZ2 3.71Å; R311-W454 HydrophobicContact CG-CH2 3.94Å; R311-W454 HydrophobicContact CG-CZ2 3.7Å; W346-W454 HydrophobicContact CH2-CH2 4.29Å; W346-W454 AromaticContact CH2-CZ3 3.83Å; W346-W454 HydrophobicContact CH2-CZ3 3.83Å; W346-W454 HydrophobicContact CZ2-CZ3 4.46Å; W346-W454 HydrophobicContact CZ3-CZ3 4.31Å; I450-W454 PolarHBondContact O-N 2.64Å; I450-W454 VanDerWaalsContact O-N 3.16Å; L451-W454 HydrophobicContact CD2-CE3 3.92Å; L451-W454 HydrophobicContact CD2-CZ3 4.1Å; L451-W454 WeakPolarHBondContact O-CB 3.38Å; L451-W454 PolarHBondContact O-N 3.4Å; L451-W454 VanDerWaalsContact O-N 3.08Å; W454-I470 HydrophobicContact CB-CD1 3.74Å; W454-I470 HydrophobicContact CB-CG1 4.48Å; W454-I470 HydrophobicContact CD2-CD1 3.98Å; W454-I470 HydrophobicContact CE3-CD1 3.66Å; W454-I470 HydrophobicContact CG-CD1 4.06Å | ||
| 455 | K | 69.7 | Low | 67 | Low | 126 Ų | 126 | 68.4 Ų | 68.4 | 55% | 0.548 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -100.9 | 142.6 | -177.9 | -69.1 | -169.4 | 175.6 | -167.4 | 0 | 111.9 | R311 | R311-K455 PolarHBondContact NH1-O 3.48Å |
| 456 | L | 62.1 | Low | 65.3 | Low | 23 Ų | 23 | 68.3 Ų | 68.3 | 12% | 0.12 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -63.2 | -46.8 | -173.6 | -132.2 | 89.6 | 0 | 0 | 0 | 114.2 | Q313 L465 I470 | Q313-L456 HydrophobicContact CG-CD1 4.14Å; Q313-L456 HydrophobicContact CG-CD2 4.24Å; Q313-L456 HydrophobicContact CG-CG 4.48Å; L456-L465 WeakPolarHBondContact CB-O 3.41Å; L456-I470 HydrophobicContact CD1-CG1 4.37Å |
| 457 | I | 58.2 | Low | 63.9 | Low | 54 Ų | 54 | 72.4 Ų | 72.4 | 28% | 0.277 | 37% | 0.367 | S | S | . | . | trans | -136.2 | 152.1 | -173.5 | -59.5 | 175.2 | 0 | 0 | 0 | 109.2 | D459 L465 A466 | I457-D459 HydrophobicContact CG2-CB 4.47Å; I457-L465 HydrophobicContact CD1-CB 3.87Å; I457-A466 HydrophobicContact CB-CB 4.13Å | ||
| 458 | Q | 49.8 | Very low | 62.6 | Low | 151 Ų | 151 | 72.1 Ų | 72.1 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | trans | -111.9 | -7.3 | -174.3 | -150.8 | 158.9 | -23 | 0 | 0 | 114.1 | ||||
| 459 | D | 46.6 | Very low | 61.7 | Low | 108 Ų | 108 | 75 Ų | 75 | 58% | 0.578 | 38% | 0.384 | S | S | * | . | trans | -105.5 | 137 | -171.1 | -57.9 | -47.5 | 0 | 0 | 0 | 114.3 | I457 S461 | I457-D459 HydrophobicContact CG2-CB 4.47Å; D459-S461 PolarHBondContact O-N 2.97Å; D459-S461 VanDerWaalsContact O-N 3.08Å | ||
| 460 | D | 45.5 | Very low | 61.3 | Low | 152 Ų | 152 | 72.4 Ų | 72.4 | 81% | 0.813 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -63.9 | -13.5 | -173.6 | -72.3 | -42.5 | 0 | 0 | 0 | 115.7 | S462 Q463 | D460-S462 VanDerWaalsContact C-N 3.33Å; D460-S462 PolarHBondContact O-N 3.1Å; D460-Q463 WeakPolarHBondContact O-CG 3.16Å |
| 461 | S | 44.7 | Very low | 61.3 | Low | 113 Ų | 113 | 71.9 Ų | 71.9 | 79% | 0.79 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -74.4 | -17.8 | -170.8 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | D459 | D459-S461 PolarHBondContact O-N 2.97Å; D459-S461 VanDerWaalsContact O-N 3.08Å |
| 462 | S | 48.7 | Very low | 61.4 | Low | 47 Ų | 47 | 72.2 Ų | 72.2 | 33% | 0.329 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -130.6 | 53 | -175.4 | 60.6 | 0 | 0 | 0 | 0 | 113 | D460 I464 L465 | D460-S462 VanDerWaalsContact C-N 3.33Å; D460-S462 PolarHBondContact O-N 3.1Å; S462-I464 PolarHBondContact O-N 3.03Å; S462-L465 PolarHBondContact O-N 3.12Å; S462-L465 VanDerWaalsContact O-N 3.13Å |
| 463 | Q | 51.8 | Low | 61.8 | Low | 155 Ų | 155 | 69.4 Ų | 69.4 | 72% | 0.724 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.7 | -8.5 | -169 | -63.6 | -175.6 | -19.4 | 0 | 0 | 120.6 | D460 | D460-Q463 WeakPolarHBondContact O-CG 3.16Š|
| 464 | I | 49.6 | Very low | 62.5 | Low | 43 Ų | 43 | 62.2 Ų | 62.2 | 22% | 0.221 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -28.1 | -174.6 | -55.9 | 155.8 | 0 | 0 | 0 | 111.9 | S462 K660 A664 | S462-I464 PolarHBondContact O-N 3.03Å; I464-K660 HydrophobicContact CD1-CB 3.67Å; I464-K660 WeakPolarHBondContact CD1-O 3.38Å; I464-A664 HydrophobicContact CD1-CB 4.19Å |
| 465 | L | 52.5 | Low | 63.1 | Low | 40 Ų | 40 | 60.7 Ų | 60.7 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -22.4 | 176 | -77.5 | 163 | 0 | 0 | 0 | 112.3 | L456 I457 S462 E467 I634 | L456-L465 WeakPolarHBondContact CB-O 3.41Å; I457-L465 HydrophobicContact CD1-CB 3.87Å; S462-L465 PolarHBondContact O-N 3.12Å; S462-L465 VanDerWaalsContact O-N 3.13Å; L465-E467 VanDerWaalsContact C-N 3.29Å; L465-E467 PolarHBondContact O-N 3.01Å; L465-I634 HydrophobicContact CD2-CG2 4.46Å |
| 466 | A | 49.3 | Very low | 64 | Low | 17 Ų | 17 | 54.7 Ų | 54.7 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -20 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I457 | I457-A466 HydrophobicContact CB-CB 4.13Š|
| 467 | E | 55 | Low | 65.2 | Low | 147 Ų | 147 | 53.6 Ų | 53.6 | 69% | 0.687 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -13.3 | -174.7 | -60.3 | -166.6 | 146.4 | 0 | 0 | 114.3 | L465 | L465-E467 VanDerWaalsContact C-N 3.29Å; L465-E467 PolarHBondContact O-N 3.01Å |
| 468 | A | 61 | Low | 66.4 | Low | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 125.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A635 | A468-A635 HydrophobicContact CB-CB 4.41Š|
| 469 | P | 68.3 | Low | 67.9 | Low | 60 Ų | 60 | 43.8 Ų | 43.8 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -74.3 | 149 | 174.5 | 29.8 | -32.3 | 0 | 0 | 0 | 110.9 | Q471 | P469-Q471 PolarHBondContact O-N 3.24Å; P469-Q471 PolarHBondContact O-NE2 3.28Å |
| 470 | I | 76.8 | Confident | 69.5 | Low | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 130.1 | 174.3 | -57.5 | -178.8 | 0 | 0 | 0 | 109.3 | P312 V315 W454 L456 | P312-I470 HydrophobicContact CG-CD1 4.02Å; P312-I470 HydrophobicContact CG-CG2 4.19Å; P312-I470 WeakPolarHBondContact O-CD1 3.23Å; P312-I470 WeakPolarHBondContact O-CG1 3.42Å; V315-I470 HydrophobicContact CG2-CG2 3.74Å; W454-I470 HydrophobicContact CB-CD1 3.74Å; W454-I470 HydrophobicContact CB-CG1 4.48Å; W454-I470 HydrophobicContact CD2-CD1 3.98Å; W454-I470 HydrophobicContact CE3-CD1 3.66Å; W454-I470 HydrophobicContact CG-CD1 4.06Å; L456-I470 HydrophobicContact CD1-CG1 4.37Å |
| 471 | Q | 82.7 | Confident | 71.1 | Confident | 27 Ų | 27 | 35 Ų | 35 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 124.3 | -180 | -59.4 | -52.7 | -61.3 | 0 | 0 | 110.1 | Q313 L314 V315 P469 I599 I632 | Q313-Q471 PolarHBondContact O-N 2.85Å; L314-Q471 CarbonylContact C-O 3.56Å; L314-Q471 WeakPolarHBondContact CA-O 3.31Å; L314-Q471 HydrophobicContact CD1-CB 4.16Å; V315-Q471 PolarHBondContact N-O 3.48Å; P469-Q471 PolarHBondContact O-N 3.24Å; P469-Q471 PolarHBondContact O-NE2 3.28Å; Q471-I599 HydrophobicContact CB-CD1 4.14Å; Q471-I599 HydrophobicContact CG-CG2 4.21Å; Q471-I632 HydrophobicContact CG-CG2 3.99Å |
| 472 | V | 86.3 | Confident | 72.7 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.6 | 176.6 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | V315 E448 L451 K452 I495 | V315-V472 HydrophobicContact CB-CB 4.45Å; V315-V472 HydrophobicContact CB-CG1 4.28Å; V315-V472 HydrophobicContact CB-CG2 4.14Å; V315-V472 HydrophobicContact CG1-CG1 4.32Å; V315-V472 HydrophobicContact CG2-CG2 4.38Å; V315-V472 WeakPolarHBondContact O-CA 3.28Å; E448-V472 HydrophobicContact CB-CG1 4.44Å; E448-V472 HydrophobicContact CG-CG1 4.46Å; L451-V472 HydrophobicContact CB-CG2 4.37Å; K452-V472 HydrophobicContact CB-CG2 3.94Å; V472-I495 HydrophobicContact CB-CG2 4.47Å; V472-I495 HydrophobicContact CG1-CD1 4.3Å; V472-I495 HydrophobicContact CG1-CG2 4.11Å |
| 473 | C | 87.9 | Confident | 74.5 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137.2 | 178 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | V315 S317 L595 L598 | V315-C473 PolarHBondContact O-N 3.3Å; S317-C473 PolarHBondContact N-O 2.86Å; C473-L595 HydrophobicContact CB-CD1 3.35Å; C473-L595 WeakPolarHBondContact SG-CD1 3.16Å; C473-L598 WeakPolarHBondContact SG-CD2 3.42Å |
| 474 | A | 89.3 | Confident | 76.1 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 153.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S317 Y319 T490 P496 V497 V498 | S317-A474 CarbonylContact O-C 3.56Å; S317-A474 WeakPolarHBondContact O-CA 3.35Å; Y319-A474 HydrophobicContact CD2-CB 4.06Å; Y319-A474 HydrophobicContact CE2-CB 4Å; A474-T490 HydrophobicContact CB-CG2 4.01Å; A474-P496 PolarHBondContact N-O 2.72Å; A474-V497 HydrophobicContact CB-CB 4.47Å; A474-V497 HydrophobicContact CB-CG1 4.31Å; A474-V497 HydrophobicContact CB-CG2 4.16Å; A474-V497 CarbonylContact O-C 3.43Å; A474-V497 WeakPolarHBondContact O-CA 3.38Å; A474-V498 PolarHBondContact O-N 3.16Å |
| 475 | F | 89.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.9 | 172.1 | -68.5 | -91.9 | 0 | 0 | 0 | 109.3 | L316 S317 F318 Y319 L335 L356 V498 L591 L595 | L316-F475 HydrophobicContact CD2-CE2 4.1Å; S317-F475 PolarHBondContact O-N 2.72Å; F318-F475 HydrophobicContact CD1-CB 3.81Å; F318-F475 HydrophobicContact CD1-CD2 4.08Å; F318-F475 HydrophobicContact CD1-CG 4.08Å; F318-F475 HydrophobicContact CE1-CB 4.13Å; F318-F475 AromaticContact CE1-CD2 3.75Å; F318-F475 HydrophobicContact CE1-CD2 3.75Å; F318-F475 HydrophobicContact CE1-CE2 4.36Å; F318-F475 AromaticContact CE1-CG 3.89Å; F318-F475 HydrophobicContact CE1-CG 3.89Å; F318-F475 HydrophobicContact CZ-CD2 4.16Å; F318-F475 HydrophobicContact CZ-CE2 4.45Å; Y319-F475 WeakPolarHBondContact CB-O 3.39Å; Y319-F475 PolarHBondContact N-O 2.95Å; L335-F475 HydrophobicContact CD2-CE1 4.04Å; L335-F475 HydrophobicContact CD2-CE2 3.98Å; L335-F475 HydrophobicContact CD2-CZ 3.48Å; L335-F475 VanDerWaalsContact CD2-CZ 3.48Å; L356-F475 HydrophobicContact CD1-CB 4.38Å; F475-V498 HydrophobicContact CD1-CB 3.59Å; F475-V498 HydrophobicContact CD1-CG1 4.05Å; F475-V498 HydrophobicContact CD1-CG2 3.99Å; F475-V498 HydrophobicContact CE1-CB 3.7Å; F475-V498 HydrophobicContact CE1-CG1 4.06Å; F475-V498 HydrophobicContact CE1-CG2 3.59Å; F475-V498 HydrophobicContact CG-CB 4.41Å; F475-V498 HydrophobicContact CZ-CG2 4.13Å; F475-L591 HydrophobicContact CD1-CD1 3.98Å; F475-L591 HydrophobicContact CD1-CD2 4.15Å; F475-L591 HydrophobicContact CD1-CG 4.23Å; F475-L591 HydrophobicContact CE1-CD1 3.64Å; F475-L591 HydrophobicContact CE1-CD2 3.84Å; F475-L591 HydrophobicContact CE1-CG 3.58Å; F475-L591 HydrophobicContact CZ-CG 4.38Å; F475-L595 HydrophobicContact CE2-CD1 4.41Å; F475-L595 HydrophobicContact CZ-CB 4.23Å; F475-L595 HydrophobicContact CZ-CD1 4.14Å |
| 476 | L | 89.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130 | 178.1 | 179 | 64.5 | 0 | 0 | 0 | 111.1 | T483 I487 V497 V498 L499 L500 L506 A507 I510 | L476-T483 HydrophobicContact CD1-CG2 3.44Å; L476-T483 VanDerWaalsContact CD1-CG2 3.44Å; L476-I487 HydrophobicContact CB-CD1 4.29Å; L476-I487 HydrophobicContact CD1-CD1 4.24Å; L476-I487 HydrophobicContact CD1-CG1 4.18Å; L476-I487 HydrophobicContact CD2-CD1 4.41Å; L476-I487 HydrophobicContact CD2-CG1 4.17Å; L476-V497 HydrophobicContact CB-CG1 4.11Å; L476-V498 PolarHBondContact N-O 3.23Å; L476-L499 HydrophobicContact CB-CD2 4.18Å; L476-L499 HydrophobicContact CD2-CD2 3.74Å; L476-L499 HydrophobicContact CG-CD2 4.49Å; L476-L500 PolarHBondContact O-N 2.79Å; L476-L500 VanDerWaalsContact O-N 3.13Å; L476-L506 HydrophobicContact CD1-CD2 4.37Å; L476-L506 HydrophobicContact CD2-CD2 4Å; L476-L506 HydrophobicContact CD2-CG 4.06Å; L476-A507 HydrophobicContact CD2-CB 4.41Å; L476-A507 HydrophobicContact CG-CB 4.38Å; L476-I510 HydrophobicContact CD2-CD1 4.43Å |
| 477 | S | 86.9 | Confident | 81 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -132.5 | 129.8 | 170.1 | -168 | 0 | 0 | 0 | 0 | 111.1 | Y319 G320 D321 Y322 T323 G479 T503 | Y319-S477 PolarHBondContact O-N 2.78Å; G320-S477 CarbonylContact C-O 3.57Å; G320-S477 VanDerWaalsContact CA-O 3.28Å; G320-S477 WeakPolarHBondContact CA-O 3.49Å; D321-S477 PolarHBondContact N-O 2.8Å; Y322-S477 PolarHBondContact O-OG 3.27Å; T323-S477 WeakPolarHBondContact CG2-OG 3.31Å; S477-G479 PolarHBondContact O-N 2.92Å; S477-T503 VanDerWaalsContact OG-CB 3.26Å; S477-T503 WeakPolarHBondContact OG-CB 3.24Å; S477-T503 WeakPolarHBondContact OG-CG2 3.27Å | ||
| 478 | G | 83.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | S | Bend | trans | 62.2 | -122.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T503 G504 L506 A507 | G478-T503 WeakPolarHBondContact CA-O 3.34Å; G478-T503 PolarHBondContact N-OG1 3.39Å; G478-G504 WeakPolarHBondContact CA-O 3.38Å; G478-L506 WeakPolarHBondContact O-CB 3.45Å; G478-L506 PolarHBondContact O-N 3.23Å; G478-A507 PolarHBondContact O-N 3.1Å; G478-A507 VanDerWaalsContact O-N 3.13Å |
| 479 | G | 81.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | 92.9 | 157.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D321 S477 R505 L506 | D321-G479 PolarHBondContact OD1-N 3.35Å; D321-G479 VanDerWaalsContact OD1-N 3.09Å; S477-G479 PolarHBondContact O-N 2.92Å; G479-R505 WeakPolarHBondContact O-CB 3.36Å; G479-R505 WeakPolarHBondContact O-CD 3.28Å; G479-L506 PolarHBondContact O-N 3.22Å | ||
| 480 | D | 79.4 | Confident | 84.1 | Confident | 54 Ų | 54 | 13.3 Ų | 13.3 | 29% | 0.289 | 7% | 0.07 | S | C | . | . | trans | -125.6 | -169 | -171.6 | 76.2 | -38.4 | 0 | 0 | 0 | 112.1 | S482 T483 L484 | D480-S482 VanDerWaalsContact C-N 3.25Å; D480-S482 VanDerWaalsContact CG-N 3.31Å; D480-S482 PolarHBondContact O-N 3.43Å; D480-S482 PolarHBondContact OD1-N 3.27Å; D480-S482 PolarHBondContact OD1-OG 2.96Å; D480-S482 VanDerWaalsContact OD2-CB 3.31Å; D480-S482 WeakPolarHBondContact OD2-CB 3.46Å; D480-S482 PolarHBondContact OD2-N 3.27Å; D480-S482 PolarHBondContact OD2-OG 2.84Å; D480-T483 PolarHBondContact N-OG1 3.31Å; D480-T483 PolarHBondContact O-N 3.13Å; D480-T483 WeakPolarHBondContact OD1-CB 3.5Å; D480-T483 PolarHBondContact OD1-N 3.27Å; D480-T483 PolarHBondContact OD1-OG1 3.35Å; D480-L484 PolarHBondContact O-N 3.31Å | ||
| 481 | E | 80.2 | Confident | 84.3 | Confident | 20 Ų | 20 | 13.9 Ų | 13.9 | 9% | 0.093 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.7 | -24.4 | 176.4 | -154.3 | -157.1 | 115.3 | 0 | 0 | 113.1 | K485 T558 H559 | E481-K485 IonicContact OE1-NZ 2.82Å; E481-K485 PolarHBondContact OE1-NZ 3.42Å; E481-T558 PolarHBondContact OE1-OG1 2.84Å; E481-T558 VanDerWaalsContact OE1-OG1 3.08Å; E481-T558 WeakPolarHBondContact OE2-CA 3.37Å; E481-T558 WeakPolarHBondContact OE2-CB 3.18Å; E481-T558 PolarHBondContact OE2-N 3.38Å; E481-T558 PolarHBondContact OE2-OG1 3.06Å; E481-H559 IonicContact OE1-CD2 3.28Å; E481-H559 PolarHBondContact OE2-N 2.97Å |
| 482 | S | 78.4 | Confident | 83.9 | Confident | 20 Ų | 20 | 18.9 Ų | 18.9 | 14% | 0.14 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -75.6 | -40.8 | 173 | 78.4 | 0 | 0 | 0 | 0 | 111.7 | H438 D480 L484 K485 A486 | H438-S482 PolarHBondContact CD2-OG 3.26Å; D480-S482 VanDerWaalsContact C-N 3.25Å; D480-S482 VanDerWaalsContact CG-N 3.31Å; D480-S482 PolarHBondContact O-N 3.43Å; D480-S482 PolarHBondContact OD1-N 3.27Å; D480-S482 PolarHBondContact OD1-OG 2.96Å; D480-S482 VanDerWaalsContact OD2-CB 3.31Å; D480-S482 WeakPolarHBondContact OD2-CB 3.46Å; D480-S482 PolarHBondContact OD2-N 3.27Å; D480-S482 PolarHBondContact OD2-OG 2.84Å; S482-L484 VanDerWaalsContact C-N 3.3Å; S482-L484 PolarHBondContact O-N 3.34Å; S482-K485 WeakPolarHBondContact O-CB 3.45Å; S482-K485 PolarHBondContact O-N 3.09Å; S482-K485 VanDerWaalsContact O-N 3.09Å; S482-A486 PolarHBondContact O-N 2.79Å |
| 483 | T | 85.1 | Confident | 83.3 | Confident | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.7 | -37.9 | 173.3 | -48.7 | 0 | 0 | 0 | 0 | 111.1 | L476 D480 K485 A486 I487 L506 | L476-T483 HydrophobicContact CD1-CG2 3.44Å; L476-T483 VanDerWaalsContact CD1-CG2 3.44Å; D480-T483 PolarHBondContact N-OG1 3.31Å; D480-T483 PolarHBondContact O-N 3.13Å; D480-T483 WeakPolarHBondContact OD1-CB 3.5Å; D480-T483 PolarHBondContact OD1-N 3.27Å; D480-T483 PolarHBondContact OD1-OG1 3.35Å; T483-K485 VanDerWaalsContact C-N 3.26Å; T483-K485 PolarHBondContact O-N 2.93Å; T483-A486 WeakPolarHBondContact O-CB 3.45Å; T483-A486 PolarHBondContact O-N 2.64Å; T483-A486 VanDerWaalsContact O-N 3.11Å; T483-I487 HydrophobicContact CG2-CG1 4.31Å; T483-I487 WeakPolarHBondContact O-CG1 3.39Å; T483-I487 PolarHBondContact O-N 2.8Å; T483-L506 HydrophobicContact CG2-CD2 3.96Å |
| 484 | L | 86 | Confident | 82.7 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56 | -40.7 | 173.1 | 173.9 | 64.6 | 0 | 0 | 0 | 111.7 | D480 S482 Y488 L506 W554 M566 I567 I570 | D480-L484 PolarHBondContact O-N 3.31Å; S482-L484 VanDerWaalsContact C-N 3.3Å; S482-L484 PolarHBondContact O-N 3.34Å; L484-Y488 WeakPolarHBondContact O-CB 3.5Å; L484-Y488 PolarHBondContact O-N 3.31Å; L484-L506 HydrophobicContact CB-CD1 3.99Å; L484-L506 HydrophobicContact CB-CD2 4Å; L484-L506 HydrophobicContact CD1-CD1 3.89Å; L484-L506 HydrophobicContact CG-CD1 4.42Å; L484-W554 HydrophobicContact CD2-CH2 4.23Å; L484-M566 HydrophobicContact CD1-CB 4.31Å; L484-M566 HydrophobicContact CD2-CB 4.26Å; L484-M566 HydrophobicContact CD2-SD 4.14Å; L484-M566 HydrophobicContact CG-CB 4.42Å; L484-M566 HydrophobicContact CG-SD 4.15Å; L484-I567 HydrophobicContact CD1-CG1 4.36Å; L484-I570 HydrophobicContact CD1-CD1 3.54Å |
| 485 | K | 82.2 | Confident | 82.2 | Confident | 87 Ų | 87 | 23.7 Ų | 23.7 | 38% | 0.378 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -68.7 | -36.1 | 177.8 | -66.9 | 163 | -171.6 | 156.5 | 0 | 111.7 | E481 S482 T483 G489 M566 | E481-K485 IonicContact OE1-NZ 2.82Å; E481-K485 PolarHBondContact OE1-NZ 3.42Å; S482-K485 WeakPolarHBondContact O-CB 3.45Å; S482-K485 PolarHBondContact O-N 3.09Å; S482-K485 VanDerWaalsContact O-N 3.09Å; T483-K485 VanDerWaalsContact C-N 3.26Å; T483-K485 PolarHBondContact O-N 2.93Å; K485-G489 PolarHBondContact O-N 3.2Å; K485-M566 HydrophobicContact CG-CE 4.28Å; K485-M566 HydrophobicContact CG-SD 4.4Å |
| 486 | A | 84.4 | Confident | 81.9 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 3% | 0.033 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.1 | -49.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y319 Y441 S482 T483 Y488 G489 T490 | Y319-A486 HydrophobicContact CD1-CB 4.11Å; Y319-A486 HydrophobicContact CE1-CB 3.84Å; Y441-A486 HydrophobicContact CD1-CB 4.19Å; Y441-A486 HydrophobicContact CD2-CB 3.54Å; Y441-A486 HydrophobicContact CE2-CB 4.08Å; Y441-A486 HydrophobicContact CG-CB 3.6Å; S482-A486 PolarHBondContact O-N 2.79Å; T483-A486 WeakPolarHBondContact O-CB 3.45Å; T483-A486 PolarHBondContact O-N 2.64Å; T483-A486 VanDerWaalsContact O-N 3.11Å; A486-Y488 VanDerWaalsContact C-N 3.31Å; A486-Y488 PolarHBondContact O-N 3.28Å; A486-G489 PolarHBondContact O-N 3.39Å; A486-G489 VanDerWaalsContact O-N 3.13Å; A486-T490 WeakPolarHBondContact O-CB 3.46Å; A486-T490 PolarHBondContact O-N 2.92Å; A486-T490 PolarHBondContact O-OG1 3.11Å |
| 487 | I | 87.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 177.9 | -65.3 | -63.1 | 0 | 0 | 0 | 110.9 | Y319 L476 T483 T490 M491 V497 F577 | Y319-I487 HydrophobicContact CD2-CD1 4.28Å; Y319-I487 HydrophobicContact CG-CD1 4.28Å; L476-I487 HydrophobicContact CB-CD1 4.29Å; L476-I487 HydrophobicContact CD1-CD1 4.24Å; L476-I487 HydrophobicContact CD1-CG1 4.18Å; L476-I487 HydrophobicContact CD2-CD1 4.41Å; L476-I487 HydrophobicContact CD2-CG1 4.17Å; T483-I487 HydrophobicContact CG2-CG1 4.31Å; T483-I487 WeakPolarHBondContact O-CG1 3.39Å; T483-I487 PolarHBondContact O-N 2.8Å; I487-T490 WeakPolarHBondContact O-CB 3.27Å; I487-T490 PolarHBondContact O-N 3.22Å; I487-M491 WeakPolarHBondContact O-CB 3.35Å; I487-M491 PolarHBondContact O-N 2.81Å; I487-V497 HydrophobicContact CD1-CG1 3.99Å; I487-V497 HydrophobicContact CG2-CG2 4.46Å; I487-F577 HydrophobicContact CG2-CE1 4.43Å |
| 488 | Y | 85 | Confident | 81.8 | Confident | 37 Ų | 37 | 24.2 Ų | 24.2 | 15% | 0.145 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 173.3 | -178.9 | -114.9 | 0 | 0 | 0 | 113.1 | L484 A486 K492 M566 E569 | L484-Y488 WeakPolarHBondContact O-CB 3.5Å; L484-Y488 PolarHBondContact O-N 3.31Å; A486-Y488 VanDerWaalsContact C-N 3.31Å; A486-Y488 PolarHBondContact O-N 3.28Å; Y488-K492 HydrophobicContact CE1-CD 4.29Å; Y488-K492 VanDerWaalsContact CE1-CE 3.5Å; Y488-K492 WeakPolarHBondContact O-CG 3.27Å; Y488-K492 PolarHBondContact O-N 3.03Å; Y488-K492 VanDerWaalsContact O-N 3.1Å; Y488-K492 WeakPolarHBondContact OH-CE 3.33Å; Y488-K492 PolarHBondContact OH-NZ 2.97Å; Y488-M566 HydrophobicContact CD1-CE 4.02Å; Y488-M566 HydrophobicContact CD1-CG 4.42Å; Y488-M566 HydrophobicContact CD1-SD 4.49Å; Y488-M566 HydrophobicContact CD2-CG 4.36Å; Y488-M566 HydrophobicContact CE1-CE 4.09Å; Y488-M566 HydrophobicContact CE1-CG 4.43Å; Y488-M566 HydrophobicContact CE2-CG 4.4Å; Y488-M566 HydrophobicContact CG-CG 4.37Å; Y488-E569 HydrophobicContact CE2-CB 4.3Å; Y488-E569 WeakPolarHBondContact CE2-OE2 3.37Å; Y488-E569 VanDerWaalsContact CZ-OE2 3.23Å; Y488-E569 PolarHBondContact OH-OE2 3.2Å |
| 489 | G | 80.8 | Confident | 82 | Confident | 18 Ų | 18 | 24.2 Ų | 24.2 | 19% | 0.186 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.6 | -44 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K485 A486 K492 N493 | K485-G489 PolarHBondContact O-N 3.2Å; A486-G489 PolarHBondContact O-N 3.39Å; A486-G489 VanDerWaalsContact O-N 3.13Å; G489-K492 PolarHBondContact O-N 3.42Å; G489-N493 PolarHBondContact O-N 2.8Å |
| 490 | T | 83.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 176.7 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | A474 A486 I487 K492 N493 I495 V497 | A474-T490 HydrophobicContact CB-CG2 4.01Å; A486-T490 WeakPolarHBondContact O-CB 3.46Å; A486-T490 PolarHBondContact O-N 2.92Å; A486-T490 PolarHBondContact O-OG1 3.11Å; I487-T490 WeakPolarHBondContact O-CB 3.27Å; I487-T490 PolarHBondContact O-N 3.22Å; T490-K492 PolarHBondContact O-N 2.84Å; T490-N493 WeakPolarHBondContact O-CB 3.39Å; T490-N493 PolarHBondContact O-N 2.83Å; T490-N493 VanDerWaalsContact O-N 3.16Å; T490-I495 HydrophobicContact CG2-CB 3.59Å; T490-I495 HydrophobicContact CG2-CD1 4.22Å; T490-I495 HydrophobicContact CG2-CG2 3.57Å; T490-I495 WeakPolarHBondContact O-CB 3.37Å; T490-I495 PolarHBondContact O-N 3.25Å; T490-I495 VanDerWaalsContact O-N 3.14Å; T490-V497 HydrophobicContact CG2-CG2 4.43Å |
| 491 | M | 80.9 | Confident | 82.3 | Confident | 14 Ų | 14 | 24 Ų | 24 | 7% | 0.069 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 173.1 | 173 | 179.5 | -74 | 0 | 0 | 112.7 | I487 N493 T494 I570 E573 L576 F577 | I487-M491 WeakPolarHBondContact O-CB 3.35Å; I487-M491 PolarHBondContact O-N 2.81Å; M491-N493 PolarHBondContact O-N 3.32Å; M491-T494 VanDerWaalsContact O-CA 3.26Å; M491-T494 WeakPolarHBondContact O-CA 3.4Å; M491-T494 PolarHBondContact O-N 3.13Å; M491-I570 HydrophobicContact CE-CB 3.99Å; M491-I570 HydrophobicContact CE-CG1 3.66Å; M491-I570 HydrophobicContact CE-CG2 4.11Å; M491-I570 HydrophobicContact SD-CB 4.4Å; M491-I570 HydrophobicContact SD-CG1 3.82Å; M491-E573 HydrophobicContact CE-CB 4.36Å; M491-E573 HydrophobicContact SD-CB 4.28Å; M491-L576 HydrophobicContact CG-CD1 3.99Å; M491-F577 HydrophobicContact CE-CE2 3.31Å; M491-F577 HydrophobicContact CE-CZ 3.35Å |
| 492 | K | 75 | Confident | 82 | Confident | 132 Ų | 132 | 28.4 Ų | 28.4 | 57% | 0.574 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -60.7 | -28.1 | 176.4 | -80.1 | 180 | 175 | 176.1 | 0 | 113.1 | Y488 G489 T490 T494 | Y488-K492 HydrophobicContact CE1-CD 4.29Å; Y488-K492 VanDerWaalsContact CE1-CE 3.5Å; Y488-K492 WeakPolarHBondContact O-CG 3.27Å; Y488-K492 PolarHBondContact O-N 3.03Å; Y488-K492 VanDerWaalsContact O-N 3.1Å; Y488-K492 WeakPolarHBondContact OH-CE 3.33Å; Y488-K492 PolarHBondContact OH-NZ 2.97Å; G489-K492 PolarHBondContact O-N 3.42Å; T490-K492 PolarHBondContact O-N 2.84Å; K492-T494 PolarHBondContact O-N 2.88Å |
| 493 | N | 74.1 | Confident | 81.9 | Confident | 30 Ų | 30 | 27.7 Ų | 27.7 | 16% | 0.16 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 7.7 | 171.7 | -67.2 | -25.9 | 0 | 0 | 0 | 113.3 | S445 L449 K452 G489 T490 M491 I495 | S445-N493 PolarHBondContact O-ND2 3.37Å; L449-N493 HydrophobicContact CD1-CB 4.23Å; K452-N493 PolarHBondContact NZ-O 2.95Å; G489-N493 PolarHBondContact O-N 2.8Å; T490-N493 WeakPolarHBondContact O-CB 3.39Å; T490-N493 PolarHBondContact O-N 2.83Å; T490-N493 VanDerWaalsContact O-N 3.16Å; M491-N493 PolarHBondContact O-N 3.32Å; N493-I495 HydrophobicContact CB-CD1 3.78Å; N493-I495 HydrophobicContact CB-CG1 4.02Å; N493-I495 PolarHBondContact O-N 3.14Å |
| 494 | T | 74.1 | Confident | 81.5 | Confident | 78 Ų | 78 | 28.6 Ų | 28.6 | 48% | 0.479 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 32.9 | -172.6 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | K452 M491 K492 | K452-T494 PolarHBondContact NZ-O 3.05Å; K452-T494 PolarHBondContact NZ-OG1 3.46Å; M491-T494 VanDerWaalsContact O-CA 3.26Å; M491-T494 WeakPolarHBondContact O-CA 3.4Å; M491-T494 PolarHBondContact O-N 3.13Å; K492-T494 PolarHBondContact O-N 2.88Å |
| 495 | I | 79.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -86.6 | 128.4 | 175.2 | -63.6 | 164.8 | 0 | 0 | 0 | 107.4 | E448 K452 V472 T490 N493 | E448-I495 HydrophobicContact CB-CD1 3.61Å; E448-I495 HydrophobicContact CG-CD1 4.47Å; K452-I495 HydrophobicContact CD-CG1 4.06Å; V472-I495 HydrophobicContact CB-CG2 4.47Å; V472-I495 HydrophobicContact CG1-CD1 4.3Å; V472-I495 HydrophobicContact CG1-CG2 4.11Å; T490-I495 HydrophobicContact CG2-CB 3.59Å; T490-I495 HydrophobicContact CG2-CD1 4.22Å; T490-I495 HydrophobicContact CG2-CG2 3.57Å; T490-I495 WeakPolarHBondContact O-CB 3.37Å; T490-I495 PolarHBondContact O-N 3.25Å; T490-I495 VanDerWaalsContact O-N 3.14Å; N493-I495 HydrophobicContact CB-CD1 3.78Å; N493-I495 HydrophobicContact CB-CG1 4.02Å; N493-I495 PolarHBondContact O-N 3.14Å | ||
| 496 | P | 83.6 | Confident | 81.7 | Confident | 11 Ų | 11 | 29.3 Ų | 29.3 | 7% | 0.071 | 15% | 0.148 | C | C | . | . | trans | -83.5 | 155.9 | -177.6 | 38.6 | -39.4 | 0 | 0 | 0 | 111.5 | A474 L576 L598 | A474-P496 PolarHBondContact N-O 2.72Å; P496-L576 CarbonylContact C-O 3.51Å; P496-L576 VanDerWaalsContact CA-O 3.31Å; P496-L576 WeakPolarHBondContact CA-O 3.35Å; P496-L576 HydrophobicContact CB-CD2 4.3Å; P496-L576 WeakPolarHBondContact CB-O 3.49Å; P496-L598 HydrophobicContact CB-CD1 4.27Å; P496-L598 HydrophobicContact CB-CD2 3.49Å; P496-L598 VanDerWaalsContact CB-CD2 3.49Å; P496-L598 HydrophobicContact CB-CG 3.69Å; P496-L598 HydrophobicContact CG-CD2 3.6Å; P496-L598 HydrophobicContact CG-CG 4.19Å | ||
| 497 | V | 86.3 | Confident | 81.9 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 121.7 | -168.4 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | A474 L476 I487 T490 L499 L576 F577 S578 L598 | A474-V497 HydrophobicContact CB-CB 4.47Å; A474-V497 HydrophobicContact CB-CG1 4.31Å; A474-V497 HydrophobicContact CB-CG2 4.16Å; A474-V497 CarbonylContact O-C 3.43Å; A474-V497 WeakPolarHBondContact O-CA 3.38Å; L476-V497 HydrophobicContact CB-CG1 4.11Å; I487-V497 HydrophobicContact CD1-CG1 3.99Å; I487-V497 HydrophobicContact CG2-CG2 4.46Å; T490-V497 HydrophobicContact CG2-CG2 4.43Å; V497-L499 HydrophobicContact CG1-CD2 4.28Å; V497-L576 PolarHBondContact N-O 3.46Å; V497-F577 HydrophobicContact CB-CD1 3.83Å; V497-F577 HydrophobicContact CB-CE1 3.79Å; V497-F577 HydrophobicContact CG1-CD1 4.39Å; V497-F577 HydrophobicContact CG1-CE1 4.23Å; V497-F577 HydrophobicContact CG2-CE1 4.14Å; V497-F577 WeakPolarHBondContact O-CA 3.5Å; V497-S578 PolarHBondContact O-N 2.96Å; V497-L598 WeakPolarHBondContact O-CD1 3.43Å |
| 498 | V | 87.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.9 | 168.7 | -175 | 0 | 0 | 0 | 0 | 109.7 | A474 F475 L476 S578 C580 L591 H594 L598 | A474-V498 PolarHBondContact O-N 3.16Å; F475-V498 HydrophobicContact CD1-CB 3.59Å; F475-V498 HydrophobicContact CD1-CG1 4.05Å; F475-V498 HydrophobicContact CD1-CG2 3.99Å; F475-V498 HydrophobicContact CE1-CB 3.7Å; F475-V498 HydrophobicContact CE1-CG1 4.06Å; F475-V498 HydrophobicContact CE1-CG2 3.59Å; F475-V498 HydrophobicContact CG-CB 4.41Å; F475-V498 HydrophobicContact CZ-CG2 4.13Å; L476-V498 PolarHBondContact N-O 3.23Å; V498-S578 WeakPolarHBondContact CA-O 3.36Å; V498-C580 HydrophobicContact CG1-CB 4Å; V498-L591 HydrophobicContact CG1-CD1 4.13Å; V498-H594 HydrophobicContact CG1-CB 4.15Å; V498-L598 HydrophobicContact CG2-CB 4.42Å; V498-L598 HydrophobicContact CG2-CD1 4.18Å; V498-L598 HydrophobicContact CG2-CD2 3.86Å; V498-L598 HydrophobicContact CG2-CG 4.39Å |
| 499 | L | 87.5 | Confident | 82 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.1 | 175 | -56.6 | 176.2 | 0 | 0 | 0 | 109.1 | L476 V497 I510 I511 I514 F577 S578 C580 | L476-L499 HydrophobicContact CB-CD2 4.18Å; L476-L499 HydrophobicContact CD2-CD2 3.74Å; L476-L499 HydrophobicContact CG-CD2 4.49Å; V497-L499 HydrophobicContact CG1-CD2 4.28Å; L499-I510 HydrophobicContact CD1-CB 4.2Å; L499-I510 HydrophobicContact CD1-CG2 3.61Å; L499-I511 HydrophobicContact CB-CD1 4.1Å; L499-I511 HydrophobicContact CB-CG1 4.2Å; L499-I511 HydrophobicContact CD1-CG1 3.99Å; L499-I514 HydrophobicContact CD1-CD1 4.29Å; L499-F577 HydrophobicContact CD1-CB 4.09Å; L499-F577 HydrophobicContact CD1-CD1 3.72Å; L499-F577 HydrophobicContact CD1-CE1 4.43Å; L499-F577 HydrophobicContact CD1-CG 4.06Å; L499-F577 HydrophobicContact CD2-CD1 3.8Å; L499-F577 HydrophobicContact CD2-CE1 4.03Å; L499-F577 HydrophobicContact CG-CB 4.46Å; L499-F577 HydrophobicContact CG-CD1 3.71Å; L499-F577 HydrophobicContact CG-CE1 4.43Å; L499-F577 HydrophobicContact CG-CG 4.43Å; L499-S578 PolarHBondContact N-O 3.28Å; L499-C580 PolarHBondContact O-N 3.42Å |
| 500 | L | 85.1 | Confident | 82.3 | Confident | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 110.1 | 174.2 | -65.9 | 164.9 | 0 | 0 | 0 | 109 | I328 L356 L476 T503 C580 L591 | I328-L500 HydrophobicContact CG2-CD1 4.04Å; L356-L500 HydrophobicContact CD1-CD1 4.35Å; L356-L500 HydrophobicContact CD2-CD1 4.5Å; L476-L500 PolarHBondContact O-N 2.79Å; L476-L500 VanDerWaalsContact O-N 3.13Å; L500-T503 HydrophobicContact CB-CG2 3.6Å; L500-T503 WeakPolarHBondContact O-CG2 3.49Å; L500-T503 PolarHBondContact O-OG1 3.43Å; L500-C580 HydrophobicContact CD2-CB 4.13Å; L500-L591 HydrophobicContact CD2-CD1 3.83Å |
| 501 | K | 81 | Confident | 82.5 | Confident | 43 Ų | 43 | 27.5 Ų | 27.5 | 19% | 0.187 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 152.8 | 178.2 | -162.7 | 174.4 | 179.2 | 163.1 | 0 | 110.3 | T503 I511 E515 I579 C580 E581 | K501-T503 PolarHBondContact O-N 3.14Å; K501-I511 HydrophobicContact CB-CD1 3.82Å; K501-I511 HydrophobicContact CD-CG2 4.48Å; K501-I511 HydrophobicContact CG-CD1 3.98Å; K501-I511 HydrophobicContact CG-CG2 4.42Å; K501-E515 IonicContact NZ-OE1 3.39Å; K501-E515 PolarHBondContact NZ-OE1 3.04Å; K501-I579 HydrophobicContact CB-CG2 4.11Å; K501-I579 HydrophobicContact CD-CG2 4.16Å; K501-I579 HydrophobicContact CG-CG2 4.5Å; K501-C580 PolarHBondContact N-O 3.31Å; K501-E581 HydrophobicContact CD-CG 3.85Å; K501-E581 VanDerWaalsContact CD-OE1 3.26Å; K501-E581 WeakPolarHBondContact CD-OE1 3.37Å; K501-E581 WeakPolarHBondContact CE-OE1 3.5Å; K501-E581 IonicContact NZ-OE1 3.69Å; K501-E581 PolarHBondContact NZ-OE1 3.49Å |
| 502 | E | 75.3 | Confident | 82.8 | Confident | 112 Ų | 112 | 29.9 Ų | 29.9 | 52% | 0.523 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 17 | 178.7 | -45.6 | 174.9 | 144.4 | 0 | 0 | 113.4 | D508 | E502-D508 PolarHBondContact N-OD1 3.12Š|
| 503 | T | 76.7 | Confident | 83.3 | Confident | 6 Ų | 6 | 23.6 Ų | 23.6 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -95.1 | -3 | 174.3 | 65.7 | 0 | 0 | 0 | 0 | 112.9 | Y322 I328 S477 G478 L500 K501 A507 | Y322-T503 WeakPolarHBondContact CD1-O 3.19Å; I328-T503 HydrophobicContact CD1-CG2 3.57Å; S477-T503 VanDerWaalsContact OG-CB 3.26Å; S477-T503 WeakPolarHBondContact OG-CB 3.24Å; S477-T503 WeakPolarHBondContact OG-CG2 3.27Å; G478-T503 WeakPolarHBondContact CA-O 3.34Å; G478-T503 PolarHBondContact N-OG1 3.39Å; L500-T503 HydrophobicContact CB-CG2 3.6Å; L500-T503 WeakPolarHBondContact O-CG2 3.49Å; L500-T503 PolarHBondContact O-OG1 3.43Å; K501-T503 PolarHBondContact O-N 3.14Å; T503-A507 WeakPolarHBondContact OG1-CB 3.47Å |
| 504 | G | 75.9 | Confident | 83.8 | Confident | 21 Ų | 21 | 23 Ų | 23 | 22% | 0.216 | 12% | 0.116 | C | C | . | . | trans | 79.6 | 177.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | G478 L506 D508 | G478-G504 WeakPolarHBondContact CA-O 3.38Å; G504-L506 PolarHBondContact O-N 3.29Å; G504-D508 WeakPolarHBondContact CA-OD2 3.41Å; G504-D508 PolarHBondContact N-OD2 3.4Å | ||
| 505 | R | 84.6 | Confident | 84.3 | Confident | 102 Ų | 102 | 22.4 Ų | 22.4 | 39% | 0.385 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | 51.9 | -129.2 | 167.3 | -50.5 | -179.8 | -180 | 171.9 | 2.5 | 113.2 | D321 G479 A507 D508 I509 | D321-R505 VanDerWaalsContact CG-NH1 3.31Å; D321-R505 IonicContact OD1-NH1 3.23Å; D321-R505 PolarHBondContact OD1-NH1 2.81Å; D321-R505 IonicContact OD2-CZ 3.3Å; D321-R505 IonicContact OD2-NH1 3.39Å; D321-R505 PolarHBondContact OD2-NH1 2.97Å; D321-R505 IonicContact OD2-NH2 3.14Å; G479-R505 WeakPolarHBondContact O-CB 3.36Å; G479-R505 WeakPolarHBondContact O-CD 3.28Å; R505-A507 VanDerWaalsContact C-N 3.35Å; R505-A507 PolarHBondContact O-N 3.28Å; R505-D508 PolarHBondContact O-N 2.79Å; R505-I509 WeakPolarHBondContact O-CG1 3.44Å; R505-I509 PolarHBondContact O-N 3.11Å |
| 506 | L | 87.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.2 | -42.4 | -171.6 | 179.8 | 63.4 | 0 | 0 | 0 | 113.2 | L476 G478 G479 T483 L484 G504 I509 I510 W554 | L476-L506 HydrophobicContact CD1-CD2 4.37Å; L476-L506 HydrophobicContact CD2-CD2 4Å; L476-L506 HydrophobicContact CD2-CG 4.06Å; G478-L506 WeakPolarHBondContact O-CB 3.45Å; G478-L506 PolarHBondContact O-N 3.23Å; G479-L506 PolarHBondContact O-N 3.22Å; T483-L506 HydrophobicContact CG2-CD2 3.96Å; L484-L506 HydrophobicContact CB-CD1 3.99Å; L484-L506 HydrophobicContact CB-CD2 4Å; L484-L506 HydrophobicContact CD1-CD1 3.89Å; L484-L506 HydrophobicContact CG-CD1 4.42Å; G504-L506 PolarHBondContact O-N 3.29Å; L506-I509 PolarHBondContact O-N 3.21Å; L506-I510 HydrophobicContact CD1-CD1 3.86Å; L506-I510 HydrophobicContact CD1-CG1 4.17Å; L506-I510 HydrophobicContact CG-CD1 4.02Å; L506-I510 WeakPolarHBondContact O-CG1 3.35Å; L506-I510 PolarHBondContact O-N 3.42Å; L506-I510 VanDerWaalsContact O-N 3.1Å; L506-W554 HydrophobicContact CB-CZ2 3.99Å; L506-W554 HydrophobicContact CD1-CH2 3.93Å; L506-W554 HydrophobicContact CD1-CZ2 3.95Å |
| 507 | A | 87.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58 | -52.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L476 G478 T503 R505 I510 I511 | L476-A507 HydrophobicContact CD2-CB 4.41Å; L476-A507 HydrophobicContact CG-CB 4.38Å; G478-A507 PolarHBondContact O-N 3.1Å; G478-A507 VanDerWaalsContact O-N 3.13Å; T503-A507 WeakPolarHBondContact OG1-CB 3.47Å; R505-A507 VanDerWaalsContact C-N 3.35Å; R505-A507 PolarHBondContact O-N 3.28Å; A507-I510 PolarHBondContact O-N 2.97Å; A507-I511 WeakPolarHBondContact O-CD1 3.18Å; A507-I511 VanDerWaalsContact O-CG1 3.27Å; A507-I511 WeakPolarHBondContact O-CG1 3.34Å; A507-I511 PolarHBondContact O-N 2.78Å |
| 508 | D | 87.3 | Confident | 83.7 | Confident | 17 Ų | 17 | 30.2 Ų | 30.2 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -72.5 | -30.5 | -178.7 | -69.3 | -25.5 | 0 | 0 | 0 | 112.9 | E502 G504 R505 I510 I511 Q512 Y553 | E502-D508 PolarHBondContact N-OD1 3.12Å; G504-D508 WeakPolarHBondContact CA-OD2 3.41Å; G504-D508 PolarHBondContact N-OD2 3.4Å; R505-D508 PolarHBondContact O-N 2.79Å; D508-I510 PolarHBondContact O-N 3.44Å; D508-I511 PolarHBondContact O-N 3.02Å; D508-Q512 WeakPolarHBondContact O-CB 3.26Å; D508-Q512 PolarHBondContact O-N 3.4Å; D508-Y553 HydrophobicContact CB-CD1 4.47Å; D508-Y553 HydrophobicContact CB-CE1 3.77Å; D508-Y553 HydrophobicContact CB-CE2 4.42Å |
| 509 | I | 88.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.7 | -48.5 | 170.4 | -71.2 | 163.5 | 0 | 0 | 0 | 110.6 | R505 L506 C513 M550 Y553 W554 I567 | R505-I509 WeakPolarHBondContact O-CG1 3.44Å; R505-I509 PolarHBondContact O-N 3.11Å; L506-I509 PolarHBondContact O-N 3.21Å; I509-C513 WeakPolarHBondContact O-CB 3.4Å; I509-C513 PolarHBondContact O-N 3.05Å; I509-C513 VanDerWaalsContact O-N 3.11Å; I509-C513 PolarHBondContact O-SG 2.9Å; I509-M550 HydrophobicContact CG2-CG 4.06Å; I509-Y553 HydrophobicContact CD1-CG 4.49Å; I509-Y553 VanDerWaalsContact CG1-CB 3.5Å; I509-Y553 HydrophobicContact CG1-CD2 3.56Å; I509-Y553 HydrophobicContact CG1-CG 3.78Å; I509-W554 HydrophobicContact CD1-CD2 3.55Å; I509-W554 HydrophobicContact CD1-CE3 3.8Å; I509-W554 HydrophobicContact CD1-CG 4.06Å; I509-W554 HydrophobicContact CD1-CH2 4.18Å; I509-W554 HydrophobicContact CD1-CZ2 3.93Å; I509-W554 HydrophobicContact CD1-CZ3 4.11Å; I509-I567 HydrophobicContact CG2-CD1 3.85Å |
| 510 | I | 88 | Confident | 82.6 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | -179.7 | -65.1 | 170.3 | 0 | 0 | 0 | 109.9 | L476 L499 L506 A507 D508 C513 I514 I570 | L476-I510 HydrophobicContact CD2-CD1 4.43Å; L499-I510 HydrophobicContact CD1-CB 4.2Å; L499-I510 HydrophobicContact CD1-CG2 3.61Å; L506-I510 HydrophobicContact CD1-CD1 3.86Å; L506-I510 HydrophobicContact CD1-CG1 4.17Å; L506-I510 HydrophobicContact CG-CD1 4.02Å; L506-I510 WeakPolarHBondContact O-CG1 3.35Å; L506-I510 PolarHBondContact O-N 3.42Å; L506-I510 VanDerWaalsContact O-N 3.1Å; A507-I510 PolarHBondContact O-N 2.97Å; D508-I510 PolarHBondContact O-N 3.44Å; I510-C513 PolarHBondContact O-N 3.17Å; I510-I514 HydrophobicContact CG2-CD1 3.79Å; I510-I514 HydrophobicContact CG2-CG1 4.41Å; I510-I514 VanDerWaalsContact O-CG1 3.29Å; I510-I514 WeakPolarHBondContact O-CG1 3.45Å; I510-I514 PolarHBondContact O-N 3.47Å; I510-I570 HydrophobicContact CG2-CG2 4.21Å |
| 511 | I | 86.7 | Confident | 81.9 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.1 | -52.4 | 177.5 | -70.5 | 164.6 | 0 | 0 | 0 | 111.2 | L499 K501 A507 D508 C513 I514 E515 I579 | L499-I511 HydrophobicContact CB-CD1 4.1Å; L499-I511 HydrophobicContact CB-CG1 4.2Å; L499-I511 HydrophobicContact CD1-CG1 3.99Å; K501-I511 HydrophobicContact CB-CD1 3.82Å; K501-I511 HydrophobicContact CD-CG2 4.48Å; K501-I511 HydrophobicContact CG-CD1 3.98Å; K501-I511 HydrophobicContact CG-CG2 4.42Å; A507-I511 WeakPolarHBondContact O-CD1 3.18Å; A507-I511 VanDerWaalsContact O-CG1 3.27Å; A507-I511 WeakPolarHBondContact O-CG1 3.34Å; A507-I511 PolarHBondContact O-N 2.78Å; D508-I511 PolarHBondContact O-N 3.02Å; I511-C513 VanDerWaalsContact C-N 3.31Å; I511-C513 PolarHBondContact O-N 3.05Å; I511-I514 WeakPolarHBondContact O-CB 3.4Å; I511-I514 PolarHBondContact O-N 3.03Å; I511-I514 VanDerWaalsContact O-N 3.1Å; I511-E515 HydrophobicContact CG2-CG 4.42Å; I511-E515 WeakPolarHBondContact O-CG 3.44Å; I511-E515 PolarHBondContact O-N 2.72Å; I511-I579 HydrophobicContact CD1-CG2 3.88Å; I511-I579 HydrophobicContact CG1-CD1 4.16Å; I511-I579 HydrophobicContact CG1-CG1 4.08Å; I511-I579 HydrophobicContact CG1-CG2 4.03Å; I511-I579 HydrophobicContact CG2-CD1 4.2Å; I511-I579 HydrophobicContact CG2-CG2 4.41Å |
| 512 | Q | 86.8 | Confident | 81.4 | Confident | 63 Ų | 63 | 42.7 Ų | 42.7 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 179.2 | -175.7 | 65.8 | 52.4 | 0 | 0 | 111.9 | D508 I514 E515 D516 T549 | D508-Q512 WeakPolarHBondContact O-CB 3.26Å; D508-Q512 PolarHBondContact O-N 3.4Å; Q512-I514 VanDerWaalsContact C-N 3.32Å; Q512-I514 PolarHBondContact O-N 2.83Å; Q512-E515 PolarHBondContact O-N 2.71Å; Q512-D516 PolarHBondContact NE2-OD1 3.37Å; Q512-D516 WeakPolarHBondContact O-CB 3.28Å; Q512-D516 VanDerWaalsContact O-CG 3.29Å; Q512-D516 PolarHBondContact O-N 2.69Å; Q512-T549 HydrophobicContact CB-CG2 3.87Å; Q512-T549 HydrophobicContact CG-CG2 3.78Å |
| 513 | C | 86 | Confident | 81.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.8 | -31.9 | 177.9 | -66.4 | 0 | 0 | 0 | 0 | 112.9 | I509 I510 I511 T517 L541 I567 L571 | I509-C513 WeakPolarHBondContact O-CB 3.4Å; I509-C513 PolarHBondContact O-N 3.05Å; I509-C513 VanDerWaalsContact O-N 3.11Å; I509-C513 PolarHBondContact O-SG 2.9Å; I510-C513 PolarHBondContact O-N 3.17Å; I511-C513 VanDerWaalsContact C-N 3.31Å; I511-C513 PolarHBondContact O-N 3.05Å; C513-T517 WeakPolarHBondContact O-CB 3.31Å; C513-T517 PolarHBondContact O-N 3.25Å; C513-T517 PolarHBondContact O-OG1 2.86Å; C513-L541 HydrophobicContact CB-CD2 4.44Å; C513-I567 HydrophobicContact CB-CG2 4.45Å; C513-L571 HydrophobicContact CB-CD1 3.97Å; C513-L571 HydrophobicContact CB-CD2 3.85Å; C513-L571 HydrophobicContact CB-CG 4.4Å |
| 514 | I | 83.8 | Confident | 80.7 | Confident | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.087 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.3 | -49.7 | 172.6 | -68.8 | 168 | 0 | 0 | 0 | 110 | L499 I510 I511 Q512 D516 T517 E518 L571 T574 F577 I579 | L499-I514 HydrophobicContact CD1-CD1 4.29Å; I510-I514 HydrophobicContact CG2-CD1 3.79Å; I510-I514 HydrophobicContact CG2-CG1 4.41Å; I510-I514 VanDerWaalsContact O-CG1 3.29Å; I510-I514 WeakPolarHBondContact O-CG1 3.45Å; I510-I514 PolarHBondContact O-N 3.47Å; I511-I514 WeakPolarHBondContact O-CB 3.4Å; I511-I514 PolarHBondContact O-N 3.03Å; I511-I514 VanDerWaalsContact O-N 3.1Å; Q512-I514 VanDerWaalsContact C-N 3.32Å; Q512-I514 PolarHBondContact O-N 2.83Å; I514-D516 PolarHBondContact O-N 2.92Å; I514-T517 PolarHBondContact O-N 2.91Å; I514-T517 VanDerWaalsContact O-N 3.15Å; I514-E518 PolarHBondContact O-N 3.43Å; I514-L571 HydrophobicContact CG1-CD2 3.85Å; I514-T574 HydrophobicContact CG1-CG2 4.26Å; I514-F577 HydrophobicContact CD1-CB 4.44Å; I514-I579 HydrophobicContact CG2-CD1 4.5Å |
| 515 | E | 84.3 | Confident | 80.1 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.5 | -44.6 | 179.5 | -70.1 | -176.2 | -177.8 | 0 | 0 | 111.6 | K501 I511 Q512 T517 E518 L519 | K501-E515 IonicContact NZ-OE1 3.39Å; K501-E515 PolarHBondContact NZ-OE1 3.04Å; I511-E515 HydrophobicContact CG2-CG 4.42Å; I511-E515 WeakPolarHBondContact O-CG 3.44Å; I511-E515 PolarHBondContact O-N 2.72Å; Q512-E515 PolarHBondContact O-N 2.71Å; E515-T517 VanDerWaalsContact C-N 3.34Å; E515-T517 PolarHBondContact O-N 2.85Å; E515-E518 PolarHBondContact O-N 2.97Å; E515-L519 WeakPolarHBondContact O-CD1 3.45Å; E515-L519 PolarHBondContact O-N 3.08Å |
| 516 | D | 83.7 | Confident | 79.2 | Confident | 45 Ų | 45 | 50.5 Ų | 50.5 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 175.7 | -75.2 | -8.7 | 0 | 0 | 0 | 112.7 | Q512 I514 L519 G520 L541 | Q512-D516 PolarHBondContact NE2-OD1 3.37Å; Q512-D516 WeakPolarHBondContact O-CB 3.28Å; Q512-D516 VanDerWaalsContact O-CG 3.29Å; Q512-D516 PolarHBondContact O-N 2.69Å; I514-D516 PolarHBondContact O-N 2.92Å; D516-L519 PolarHBondContact O-N 2.67Å; D516-G520 PolarHBondContact O-N 3.43Å; D516-L541 HydrophobicContact CB-CD1 3.83Å; D516-L541 HydrophobicContact CB-CD2 4.02Å |
| 517 | T | 79.3 | Confident | 78.4 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 178.9 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | C513 I514 E515 S521 | C513-T517 WeakPolarHBondContact O-CB 3.31Å; C513-T517 PolarHBondContact O-N 3.25Å; C513-T517 PolarHBondContact O-OG1 2.86Å; I514-T517 PolarHBondContact O-N 2.91Å; I514-T517 VanDerWaalsContact O-N 3.15Å; E515-T517 VanDerWaalsContact C-N 3.34Å; E515-T517 PolarHBondContact O-N 2.85Å; T517-S521 PolarHBondContact O-N 3.38Å; T517-S521 VanDerWaalsContact O-N 3.12Å; T517-S521 PolarHBondContact O-OG 3.29Å |
| 518 | E | 75.2 | Confident | 77.3 | Confident | 99 Ų | 99 | 57.6 Ų | 57.6 | 46% | 0.463 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 172.1 | -77.5 | -155.7 | -167.1 | 0 | 0 | 112.9 | I514 E515 S521 K522 | I514-E518 PolarHBondContact O-N 3.43Å; E515-E518 PolarHBondContact O-N 2.97Å; E518-S521 PolarHBondContact O-OG 3.49Å; E518-K522 WeakPolarHBondContact O-CD 3.17Å; E518-K522 VanDerWaalsContact O-CG 3.31Å; E518-K522 WeakPolarHBondContact O-CG 3.44Å; E518-K522 PolarHBondContact O-N 3.37Å; E518-K522 VanDerWaalsContact O-N 3.13Å; E518-K522 IonicContact OE2-NZ 3.4Å; E518-K522 PolarHBondContact OE2-NZ 3.21Å |
| 519 | L | 76.9 | Confident | 76.2 | Confident | 123 Ų | 123 | 62.2 Ų | 62.2 | 64% | 0.644 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.4 | -44.7 | 177.1 | -100.5 | 112.4 | 0 | 0 | 0 | 111.9 | E515 D516 K522 A523 | E515-L519 WeakPolarHBondContact O-CD1 3.45Å; E515-L519 PolarHBondContact O-N 3.08Å; D516-L519 PolarHBondContact O-N 2.67Å; L519-K522 PolarHBondContact O-N 3.44Å; L519-A523 PolarHBondContact O-N 3.23Å |
| 520 | G | 74.7 | Confident | 75.2 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D516 A523 T524 F539 | D516-G520 PolarHBondContact O-N 3.43Å; G520-A523 PolarHBondContact O-N 2.97Å; G520-T524 PolarHBondContact O-N 2.57Å; G520-T524 PolarHBondContact O-OG1 2.84Å; G520-F539 VanDerWaalsContact C-CG 3.49Å |
| 521 | S | 70 | Confident | 74.2 | Confident | 53 Ų | 53 | 72.5 Ų | 72.5 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 175 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | T517 E518 A523 T524 Y525 | T517-S521 PolarHBondContact O-N 3.38Å; T517-S521 VanDerWaalsContact O-N 3.12Å; T517-S521 PolarHBondContact O-OG 3.29Å; E518-S521 PolarHBondContact O-OG 3.49Å; S521-A523 VanDerWaalsContact C-N 3.3Å; S521-A523 PolarHBondContact O-N 3.2Å; S521-T524 PolarHBondContact O-N 3.32Å; S521-Y525 WeakPolarHBondContact O-CB 3.46Å; S521-Y525 PolarHBondContact O-N 3.19Å |
| 522 | K | 70.1 | Confident | 72.2 | Confident | 126 Ų | 126 | 75.6 Ų | 75.6 | 55% | 0.548 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 173.9 | -71.2 | 164.9 | -169.3 | 159.3 | 0 | 112 | E518 L519 K526 | E518-K522 WeakPolarHBondContact O-CD 3.17Å; E518-K522 VanDerWaalsContact O-CG 3.31Å; E518-K522 WeakPolarHBondContact O-CG 3.44Å; E518-K522 PolarHBondContact O-N 3.37Å; E518-K522 VanDerWaalsContact O-N 3.13Å; E518-K522 IonicContact OE2-NZ 3.4Å; E518-K522 PolarHBondContact OE2-NZ 3.21Å; L519-K522 PolarHBondContact O-N 3.44Å; K522-K526 PolarHBondContact O-N 2.81Å; K522-K526 VanDerWaalsContact O-N 3.16Å |
| 523 | A | 71.5 | Confident | 70.6 | Confident | 61 Ų | 61 | 75.8 Ų | 75.8 | 50% | 0.504 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L519 G520 S521 K526 K527 | L519-A523 PolarHBondContact O-N 3.23Å; G520-A523 PolarHBondContact O-N 2.97Å; S521-A523 VanDerWaalsContact C-N 3.3Å; S521-A523 PolarHBondContact O-N 3.2Å; A523-K526 PolarHBondContact O-N 3.03Å; A523-K527 PolarHBondContact O-N 3.33Å; A523-K527 VanDerWaalsContact O-N 3.14Å |
| 524 | T | 66.8 | Low | 68.8 | Low | 42 Ų | 42 | 82.9 Ų | 82.9 | 26% | 0.258 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 179 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | G520 S521 K526 K527 S528 | G520-T524 PolarHBondContact O-N 2.57Å; G520-T524 PolarHBondContact O-OG1 2.84Å; S521-T524 PolarHBondContact O-N 3.32Å; T524-K526 PolarHBondContact O-N 3.16Å; T524-K527 WeakPolarHBondContact O-CB 3.47Å; T524-K527 PolarHBondContact O-N 3.3Å; T524-K527 VanDerWaalsContact O-N 3.16Å; T524-S528 PolarHBondContact O-N 3.36Å |
| 525 | Y | 62.3 | Low | 66.9 | Low | 138 Ų | 138 | 83.8 Ų | 83.8 | 54% | 0.541 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 175.4 | -177.9 | -103.1 | 0 | 0 | 0 | 113.1 | S521 K527 S528 I529 | S521-Y525 WeakPolarHBondContact O-CB 3.46Å; S521-Y525 PolarHBondContact O-N 3.19Å; Y525-K527 VanDerWaalsContact C-N 3.26Å; Y525-K527 PolarHBondContact O-N 2.98Å; Y525-S528 PolarHBondContact O-OG 3.13Å; Y525-S528 VanDerWaalsContact O-OG 3.06Å; Y525-I529 HydrophobicContact CD1-CD1 4.02Å; Y525-I529 HydrophobicContact CE1-CD1 3.5Å; Y525-I529 HydrophobicContact CE2-CD1 4.45Å; Y525-I529 WeakPolarHBondContact O-CG1 3.4Å; Y525-I529 PolarHBondContact O-N 3.26Å |
| 526 | K | 66.3 | Low | 65.1 | Low | 164 Ų | 164 | 86.9 Ų | 86.9 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.9 | -32.8 | 175.6 | -167.5 | 175 | -176.4 | 178.4 | 0 | 112.2 | K522 A523 T524 S530 | K522-K526 PolarHBondContact O-N 2.81Å; K522-K526 VanDerWaalsContact O-N 3.16Å; A523-K526 PolarHBondContact O-N 3.03Å; T524-K526 PolarHBondContact O-N 3.16Å; K526-S530 PolarHBondContact O-OG 2.64Å |
| 527 | K | 71.4 | Confident | 63.5 | Low | 119 Ų | 119 | 92.7 Ų | 92.7 | 52% | 0.517 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.7 | -43 | 179.1 | -169.7 | -179.5 | 174.2 | -170.7 | 0 | 112.7 | A523 T524 Y525 I529 S530 E531 | A523-K527 PolarHBondContact O-N 3.33Å; A523-K527 VanDerWaalsContact O-N 3.14Å; T524-K527 WeakPolarHBondContact O-CB 3.47Å; T524-K527 PolarHBondContact O-N 3.3Å; T524-K527 VanDerWaalsContact O-N 3.16Å; Y525-K527 VanDerWaalsContact C-N 3.26Å; Y525-K527 PolarHBondContact O-N 2.98Å; K527-I529 VanDerWaalsContact C-N 3.3Å; K527-I529 PolarHBondContact O-N 2.77Å; K527-S530 WeakPolarHBondContact CA-OG 3.38Å; K527-S530 PolarHBondContact O-N 2.87Å; K527-S530 VanDerWaalsContact O-N 3.11Å; K527-S530 PolarHBondContact O-OG 3.22Å; K527-E531 VanDerWaalsContact CE-CD 3.4Å; K527-E531 WeakPolarHBondContact CE-OE1 3.15Å; K527-E531 WeakPolarHBondContact CE-OE2 3.43Å; K527-E531 IonicContact NZ-OE1 2.65Å; K527-E531 PolarHBondContact O-N 3.07Å; K527-E531 VanDerWaalsContact O-N 3.14Å |
| 528 | S | 64.1 | Low | 62.4 | Low | 30 Ų | 30 | 97.1 Ų | 97.1 | 21% | 0.21 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 178.8 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | T524 Y525 S530 E531 G532 S533 | T524-S528 PolarHBondContact O-N 3.36Å; Y525-S528 PolarHBondContact O-OG 3.13Å; Y525-S528 VanDerWaalsContact O-OG 3.06Å; S528-S530 PolarHBondContact O-N 3.28Å; S528-E531 PolarHBondContact O-N 3.02Å; S528-G532 PolarHBondContact O-N 3.15Å; S528-S533 PolarHBondContact O-N 2.95Å |
| 529 | I | 64.6 | Low | 61.8 | Low | 113 Ų | 113 | 96.2 Ų | 96.2 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 172.7 | -68.1 | 172.5 | 0 | 0 | 0 | 111.8 | Y525 K527 | Y525-I529 HydrophobicContact CD1-CD1 4.02Å; Y525-I529 HydrophobicContact CE1-CD1 3.5Å; Y525-I529 HydrophobicContact CE2-CD1 4.45Å; Y525-I529 WeakPolarHBondContact O-CG1 3.4Å; Y525-I529 PolarHBondContact O-N 3.26Å; K527-I529 VanDerWaalsContact C-N 3.3Å; K527-I529 PolarHBondContact O-N 2.77Å |
| 530 | S | 67.2 | Low | 61.1 | Low | 93 Ų | 93 | 97.6 Ų | 97.6 | 65% | 0.65 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.1 | -24 | 179.9 | 48.7 | 0 | 0 | 0 | 0 | 114.4 | K526 K527 S528 | K526-S530 PolarHBondContact O-OG 2.64Å; K527-S530 WeakPolarHBondContact CA-OG 3.38Å; K527-S530 PolarHBondContact O-N 2.87Å; K527-S530 VanDerWaalsContact O-N 3.11Å; K527-S530 PolarHBondContact O-OG 3.22Å; S528-S530 PolarHBondContact O-N 3.28Å |
| 531 | E | 67.4 | Low | 60.8 | Low | 124 Ų | 124 | 97.9 Ų | 97.9 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -101.6 | 0.6 | -173.9 | -67.6 | 177.5 | 170.6 | 0 | 0 | 113.4 | K527 S528 S533 | K527-E531 VanDerWaalsContact CE-CD 3.4Å; K527-E531 WeakPolarHBondContact CE-OE1 3.15Å; K527-E531 WeakPolarHBondContact CE-OE2 3.43Å; K527-E531 IonicContact NZ-OE1 2.65Å; K527-E531 PolarHBondContact O-N 3.07Å; K527-E531 VanDerWaalsContact O-N 3.14Å; S528-E531 PolarHBondContact O-N 3.02Å; E531-S533 PolarHBondContact O-N 3.31Å |
| 532 | G | 43.8 | Very low | 60.9 | Low | 70 Ų | 70 | 97.9 Ų | 97.9 | 72% | 0.722 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 15.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | S528 | S528-G532 PolarHBondContact O-N 3.15Š|
| 533 | S | 54.2 | Low | 61 | Low | 66 Ų | 66 | 95.4 Ų | 95.4 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | trans | -82.6 | 129.3 | -176.2 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | S528 E531 G535 | S528-S533 PolarHBondContact O-N 2.95Å; E531-S533 PolarHBondContact O-N 3.31Å; S533-G535 PolarHBondContact O-N 2.91Å; S533-G535 PolarHBondContact OG-N 2.87Å; S533-G535 VanDerWaalsContact OG-N 3.12Å | ||
| 534 | T | 46.3 | Very low | 61.1 | Low | 150 Ų | 150 | 94.2 Ų | 94.2 | 92% | 0.92 | 54% | 0.535 | S | S | * | . | trans | -81.6 | 9.7 | 170.1 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 535 | G | 44.2 | Very low | 61.7 | Low | 36 Ų | 36 | 95.3 Ų | 95.3 | 37% | 0.371 | 54% | 0.539 | S | S | . | . | trans | -86 | 114.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S533 E537 | S533-G535 PolarHBondContact O-N 2.91Å; S533-G535 PolarHBondContact OG-N 2.87Å; S533-G535 VanDerWaalsContact OG-N 3.12Å; G535-E537 PolarHBondContact O-N 2.69Å | ||
| 536 | T | 48 | Very low | 62.5 | Low | 131 Ų | 131 | 88.8 Ų | 88.8 | 80% | 0.804 | 51% | 0.514 | S | S | * | . | trans | -83.8 | 82.8 | 169.6 | 51 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 537 | E | 50 | Low | 63.2 | Low | 168 Ų | 168 | 85.2 Ų | 85.2 | 79% | 0.785 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -82 | 122.7 | 169.8 | -66.5 | -171.7 | 165.6 | 0 | 0 | 110.4 | G535 | G535-E537 PolarHBondContact O-N 2.69Š|
| 538 | T | 55.6 | Low | 63.7 | Low | 123 Ų | 123 | 85.8 Ų | 85.8 | 76% | 0.755 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -81 | 122.1 | 177.8 | 50 | 0 | 0 | 0 | 0 | 110.8 | Q540 | T538-Q540 PolarHBondContact O-N 2.95Š|
| 539 | F | 61.9 | Low | 64.6 | Low | 80 Ų | 80 | 85.1 Ų | 85.1 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 127.5 | 173.3 | -177.2 | -93.6 | 0 | 0 | 0 | 110.9 | G520 L541 | G520-F539 VanDerWaalsContact C-CG 3.49Å; F539-L541 HydrophobicContact CE1-CD1 3.96Å; F539-L541 HydrophobicContact CZ-CD1 4.3Å |
| 540 | Q | 62.2 | Low | 65.4 | Low | 153 Ų | 153 | 79.8 Ų | 79.8 | 72% | 0.715 | 47% | 0.47 | S | S | * | . | trans | -118.6 | 134.4 | 171.4 | -72.4 | -174.2 | -33.8 | 0 | 0 | 109.7 | T538 | T538-Q540 PolarHBondContact O-N 2.95Š| ||
| 541 | L | 68.7 | Low | 66.2 | Low | 16 Ų | 16 | 80.7 Ų | 80.7 | 8% | 0.084 | 46% | 0.464 | C | S | . | . | trans | -71.8 | 133.3 | 178.9 | -158.3 | 68.5 | 0 | 0 | 0 | 110.2 | C513 D516 F539 N545 I546 | C513-L541 HydrophobicContact CB-CD2 4.44Å; D516-L541 HydrophobicContact CB-CD1 3.83Å; D516-L541 HydrophobicContact CB-CD2 4.02Å; F539-L541 HydrophobicContact CE1-CD1 3.96Å; F539-L541 HydrophobicContact CZ-CD1 4.3Å; L541-N545 HydrophobicContact CD1-CB 4.27Å; L541-N545 HydrophobicContact CD2-CB 4.4Å; L541-N545 HydrophobicContact CG-CB 4Å; L541-I546 HydrophobicContact CD2-CG1 3.87Å; L541-I546 HydrophobicContact CG-CG1 4.38Å | ||
| 542 | S | 72.3 | Confident | 67 | Low | 52 Ų | 52 | 83.4 Ų | 83.4 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | trans | -68.2 | 145.4 | -176.1 | 100.1 | 0 | 0 | 0 | 0 | 111.2 | G544 N545 I546 | S542-G544 PolarHBondContact O-N 3.44Å; S542-G544 VanDerWaalsContact O-N 3.08Å; S542-G544 PolarHBondContact OG-N 3.13Å; S542-N545 WeakPolarHBondContact O-CB 3.17Å; S542-N545 PolarHBondContact O-N 3.28Å; S542-N545 PolarHBondContact OG-N 3.21Å; S542-N545 PolarHBondContact OG-OD1 3.44Å; S542-I546 PolarHBondContact O-N 3.33Å | ||
| 543 | P | 71.8 | Confident | 68.7 | Low | 75 Ų | 75 | 83.5 Ų | 83.5 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -55.5 | -27.7 | 173.9 | -22.1 | 29.3 | 0 | 0 | 0 | 113.3 | K547 V564 | P543-K547 WeakPolarHBondContact O-CB 3.26Å; P543-K547 PolarHBondContact O-N 3.08Å; P543-K547 VanDerWaalsContact O-N 3.13Å; P543-V564 HydrophobicContact CB-CG1 4.18Å |
| 544 | G | 73.6 | Confident | 70.1 | Confident | 36 Ų | 36 | 81.4 Ų | 81.4 | 37% | 0.371 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S542 Q548 | S542-G544 PolarHBondContact O-N 3.44Å; S542-G544 VanDerWaalsContact O-N 3.08Å; S542-G544 PolarHBondContact OG-N 3.13Å; G544-Q548 VanDerWaalsContact O-CG 3.28Å; G544-Q548 WeakPolarHBondContact O-CG 3.4Å; G544-Q548 PolarHBondContact O-N 2.9Å |
| 545 | N | 79.5 | Confident | 71.3 | Confident | 65 Ų | 65 | 82.8 Ų | 82.8 | 35% | 0.348 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.9 | -50.1 | 176.9 | -69.4 | 59.9 | 0 | 0 | 0 | 110.7 | L541 S542 K547 Q548 T549 | L541-N545 HydrophobicContact CD1-CB 4.27Å; L541-N545 HydrophobicContact CD2-CB 4.4Å; L541-N545 HydrophobicContact CG-CB 4Å; S542-N545 WeakPolarHBondContact O-CB 3.17Å; S542-N545 PolarHBondContact O-N 3.28Å; S542-N545 PolarHBondContact OG-N 3.21Å; S542-N545 PolarHBondContact OG-OD1 3.44Å; N545-K547 VanDerWaalsContact C-N 3.26Å; N545-K547 PolarHBondContact O-N 2.83Å; N545-Q548 WeakPolarHBondContact O-CB 3.22Å; N545-Q548 PolarHBondContact O-N 3.21Å; N545-T549 PolarHBondContact O-N 3.09Å; N545-T549 PolarHBondContact O-OG1 2.85Å |
| 546 | I | 79.5 | Confident | 72.6 | Confident | 1 Ų | 1 | 90.2 Ų | 90.2 | 1% | 0.005 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -56.4 | -45.5 | 179 | -61.9 | 170.5 | 0 | 0 | 0 | 110.1 | L541 S542 Q548 T549 M550 V564 I567 Q568 L571 | L541-I546 HydrophobicContact CD2-CG1 3.87Å; L541-I546 HydrophobicContact CG-CG1 4.38Å; S542-I546 PolarHBondContact O-N 3.33Å; I546-Q548 PolarHBondContact O-N 3.14Å; I546-T549 PolarHBondContact O-N 3.18Å; I546-M550 HydrophobicContact CG2-CG 4.48Å; I546-M550 HydrophobicContact CG2-SD 3.89Å; I546-M550 VanDerWaalsContact O-CG 3.25Å; I546-M550 WeakPolarHBondContact O-CG 3.1Å; I546-M550 PolarHBondContact O-N 3.41Å; I546-V564 HydrophobicContact CB-CG1 4.37Å; I546-V564 HydrophobicContact CG2-CB 4.49Å; I546-V564 HydrophobicContact CG2-CG1 4.24Å; I546-V564 HydrophobicContact CG2-CG2 4.19Å; I546-I567 HydrophobicContact CG2-CB 4.01Å; I546-I567 HydrophobicContact CG2-CD1 4.25Å; I546-I567 HydrophobicContact CG2-CG2 3.68Å; I546-Q568 HydrophobicContact CD1-CG 3.39Å; I546-L571 HydrophobicContact CD1-CD1 3.91Å; I546-L571 HydrophobicContact CG1-CD1 4.41Å |
| 547 | K | 80.3 | Confident | 73.7 | Confident | 89 Ų | 89 | 85.6 Ų | 85.6 | 39% | 0.387 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 176.6 | -177.3 | 175.7 | 168.8 | 179.2 | 0 | 112.6 | P543 N545 M550 E551 V564 | P543-K547 WeakPolarHBondContact O-CB 3.26Å; P543-K547 PolarHBondContact O-N 3.08Å; P543-K547 VanDerWaalsContact O-N 3.13Å; N545-K547 VanDerWaalsContact C-N 3.26Å; N545-K547 PolarHBondContact O-N 2.83Å; K547-M550 PolarHBondContact O-N 2.85Å; K547-E551 WeakPolarHBondContact CE-OE1 3.48Å; K547-E551 HydrophobicContact CG-CG 4.39Å; K547-E551 IonicContact NZ-OE1 2.82Å; K547-E551 WeakPolarHBondContact O-CB 3.21Å; K547-E551 WeakPolarHBondContact O-CG 3.49Å; K547-E551 PolarHBondContact O-N 2.83Å; K547-V564 HydrophobicContact CB-CG2 4.12Å |
| 548 | Q | 81.7 | Confident | 74.7 | Confident | 130 Ų | 130 | 82 Ų | 82 | 61% | 0.607 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.1 | -42.2 | 176.1 | -75 | 168.4 | -6.4 | 0 | 0 | 112.1 | G544 N545 I546 M550 E551 Y552 | G544-Q548 VanDerWaalsContact O-CG 3.28Å; G544-Q548 WeakPolarHBondContact O-CG 3.4Å; G544-Q548 PolarHBondContact O-N 2.9Å; N545-Q548 WeakPolarHBondContact O-CB 3.22Å; N545-Q548 PolarHBondContact O-N 3.21Å; I546-Q548 PolarHBondContact O-N 3.14Å; Q548-M550 VanDerWaalsContact C-N 3.35Å; Q548-M550 PolarHBondContact O-N 2.87Å; Q548-E551 PolarHBondContact O-N 2.85Å; Q548-Y552 PolarHBondContact O-N 2.84Å; Q548-Y552 VanDerWaalsContact O-N 3.11Å |
| 549 | T | 83.3 | Confident | 75.4 | Confident | 17 Ų | 17 | 80.9 Ų | 80.9 | 10% | 0.104 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 175.7 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | Q512 N545 I546 Y552 Y553 | Q512-T549 HydrophobicContact CB-CG2 3.87Å; Q512-T549 HydrophobicContact CG-CG2 3.78Å; N545-T549 PolarHBondContact O-N 3.09Å; N545-T549 PolarHBondContact O-OG1 2.85Å; I546-T549 PolarHBondContact O-N 3.18Å; T549-Y552 WeakPolarHBondContact O-CB 3.46Å; T549-Y552 PolarHBondContact O-N 3.25Å; T549-Y553 HydrophobicContact CG2-CD2 4.22Å; T549-Y553 HydrophobicContact CG2-CE2 4.24Å; T549-Y553 WeakPolarHBondContact O-CD2 3.4Å; T549-Y553 PolarHBondContact O-N 2.75Å |
| 550 | M | 82.9 | Confident | 75.9 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 175.6 | -63.7 | 162.6 | 74.8 | 0 | 0 | 112.5 | I509 I546 K547 Q548 Y552 Y553 W554 I557 V564 I567 | I509-M550 HydrophobicContact CG2-CG 4.06Å; I546-M550 HydrophobicContact CG2-CG 4.48Å; I546-M550 HydrophobicContact CG2-SD 3.89Å; I546-M550 VanDerWaalsContact O-CG 3.25Å; I546-M550 WeakPolarHBondContact O-CG 3.1Å; I546-M550 PolarHBondContact O-N 3.41Å; K547-M550 PolarHBondContact O-N 2.85Å; Q548-M550 VanDerWaalsContact C-N 3.35Å; Q548-M550 PolarHBondContact O-N 2.87Å; M550-Y552 PolarHBondContact O-N 3.09Å; M550-Y553 PolarHBondContact O-N 3.18Å; M550-W554 HydrophobicContact CB-CE3 4.34Å; M550-W554 HydrophobicContact CE-CE3 4.15Å; M550-W554 HydrophobicContact CE-CZ3 3.75Å; M550-W554 PolarHBondContact O-N 2.76Å; M550-I557 HydrophobicContact CB-CD1 3.78Å; M550-I557 HydrophobicContact CE-CD1 4.14Å; M550-I557 HydrophobicContact CE-CG2 4.39Å; M550-V564 HydrophobicContact CE-CG2 4.3Å; M550-V564 HydrophobicContact SD-CG2 3.5Å; M550-V564 VanDerWaalsContact SD-CG2 3.5Å; M550-I567 HydrophobicContact CE-CD1 4.03Å; M550-I567 HydrophobicContact CG-CD1 3.86Å; M550-I567 HydrophobicContact SD-CD1 3.7Å |
| 551 | E | 83.4 | Confident | 76.2 | Confident | 112 Ų | 112 | 77.2 Ų | 77.2 | 52% | 0.523 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.5 | -16.8 | 176.7 | -73.6 | 175.8 | 161 | 0 | 0 | 112.8 | K547 Q548 | K547-E551 WeakPolarHBondContact CE-OE1 3.48Å; K547-E551 HydrophobicContact CG-CG 4.39Å; K547-E551 IonicContact NZ-OE1 2.82Å; K547-E551 WeakPolarHBondContact O-CB 3.21Å; K547-E551 WeakPolarHBondContact O-CG 3.49Å; K547-E551 PolarHBondContact O-N 2.83Å; Q548-E551 PolarHBondContact O-N 2.85Å |
| 552 | Y | 83.2 | Confident | 76.3 | Confident | 181 Ų | 181 | 79.7 Ų | 79.7 | 71% | 0.71 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -82.3 | -36.7 | 172.8 | 179.3 | -99 | 0 | 0 | 0 | 113.5 | Q548 T549 M550 | Q548-Y552 PolarHBondContact O-N 2.84Å; Q548-Y552 VanDerWaalsContact O-N 3.11Å; T549-Y552 WeakPolarHBondContact O-CB 3.46Å; T549-Y552 PolarHBondContact O-N 3.25Å; M550-Y552 PolarHBondContact O-N 3.09Å |
| 553 | Y | 80.9 | Confident | 76.6 | Confident | 71 Ų | 71 | 77.2 Ų | 77.2 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -100.2 | -15.9 | -175.1 | -77.8 | -73.4 | 0 | 0 | 0 | 115.1 | D508 I509 T549 M550 | D508-Y553 HydrophobicContact CB-CD1 4.47Å; D508-Y553 HydrophobicContact CB-CE1 3.77Å; D508-Y553 HydrophobicContact CB-CE2 4.42Å; I509-Y553 HydrophobicContact CD1-CG 4.49Å; I509-Y553 VanDerWaalsContact CG1-CB 3.5Å; I509-Y553 HydrophobicContact CG1-CD2 3.56Å; I509-Y553 HydrophobicContact CG1-CG 3.78Å; T549-Y553 HydrophobicContact CG2-CD2 4.22Å; T549-Y553 HydrophobicContact CG2-CE2 4.24Å; T549-Y553 WeakPolarHBondContact O-CD2 3.4Å; T549-Y553 PolarHBondContact O-N 2.75Å; M550-Y553 PolarHBondContact O-N 3.18Å |
| 554 | W | 83 | Confident | 76.9 | Confident | 23 Ų | 23 | 74.2 Ų | 74.2 | 9% | 0.087 | 37% | 0.365 | C | S | . | . | trans | -126.9 | 113.6 | -178.6 | -74.9 | -26.3 | 0 | 0 | 0 | 112.1 | L484 L506 I509 M550 K556 I557 | L484-W554 HydrophobicContact CD2-CH2 4.23Å; L506-W554 HydrophobicContact CB-CZ2 3.99Å; L506-W554 HydrophobicContact CD1-CH2 3.93Å; L506-W554 HydrophobicContact CD1-CZ2 3.95Å; I509-W554 HydrophobicContact CD1-CD2 3.55Å; I509-W554 HydrophobicContact CD1-CE3 3.8Å; I509-W554 HydrophobicContact CD1-CG 4.06Å; I509-W554 HydrophobicContact CD1-CH2 4.18Å; I509-W554 HydrophobicContact CD1-CZ2 3.93Å; I509-W554 HydrophobicContact CD1-CZ3 4.11Å; M550-W554 HydrophobicContact CB-CE3 4.34Å; M550-W554 HydrophobicContact CE-CE3 4.15Å; M550-W554 HydrophobicContact CE-CZ3 3.75Å; M550-W554 PolarHBondContact O-N 2.76Å; W554-K556 PolarHBondContact O-N 3.46Å; W554-K556 VanDerWaalsContact O-N 3.08Å; W554-I557 HydrophobicContact CB-CG1 3.97Å; W554-I557 HydrophobicContact CE3-CD1 4.22Å; W554-I557 HydrophobicContact CE3-CG1 3.98Å | ||
| 555 | D | 71.8 | Confident | 76.8 | Confident | 179 Ų | 179 | 74.6 Ų | 74.6 | 96% | 0.957 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -56 | -27.8 | 177.6 | -60.1 | -37.7 | 0 | 0 | 0 | 114.1 | ||
| 556 | K | 71.6 | Confident | 76.9 | Confident | 192 Ų | 192 | 72.5 Ų | 72.5 | 84% | 0.835 | 35% | 0.347 | S | S | * | . | trans | -157.2 | 117.8 | -173.7 | -156 | 173.3 | -172.3 | 176.2 | 0 | 111.8 | W554 | W554-K556 PolarHBondContact O-N 3.46Å; W554-K556 VanDerWaalsContact O-N 3.08Å | ||
| 557 | I | 71.5 | Confident | 77 | Confident | 33 Ų | 33 | 72.4 Ų | 72.4 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | trans | -110.2 | 129.4 | -179.4 | -51.1 | 167.3 | 0 | 0 | 0 | 108.1 | M550 W554 P560 | M550-I557 HydrophobicContact CB-CD1 3.78Å; M550-I557 HydrophobicContact CE-CD1 4.14Å; M550-I557 HydrophobicContact CE-CG2 4.39Å; W554-I557 HydrophobicContact CB-CG1 3.97Å; W554-I557 HydrophobicContact CE3-CD1 4.22Å; W554-I557 HydrophobicContact CE3-CG1 3.98Å; I557-P560 HydrophobicContact CG2-CB 4.13Å | ||
| 558 | T | 69.5 | Low | 76.9 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 57% | 0.571 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -80.9 | -35.5 | -176.4 | 72.2 | 0 | 0 | 0 | 0 | 112.1 | E481 | E481-T558 PolarHBondContact OE1-OG1 2.84Å; E481-T558 VanDerWaalsContact OE1-OG1 3.08Å; E481-T558 WeakPolarHBondContact OE2-CA 3.37Å; E481-T558 WeakPolarHBondContact OE2-CB 3.18Å; E481-T558 PolarHBondContact OE2-N 3.38Å; E481-T558 PolarHBondContact OE2-OG1 3.06Å |
| 559 | H | 71 | Confident | 76.5 | Confident | 100 Ų | 100 | 68.1 Ų | 68.1 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | trans | -134.9 | 71.1 | -178.6 | -60.3 | -54.9 | 0 | 0 | 0 | 112.3 | E481 E561 L562 S563 | E481-H559 IonicContact OE1-CD2 3.28Å; E481-H559 PolarHBondContact OE2-N 2.97Å; H559-E561 VanDerWaalsContact C-N 3.33Å; H559-E561 PolarHBondContact O-N 3.43Å; H559-L562 HydrophobicContact CB-CB 3.85Å; H559-L562 HydrophobicContact CB-CD2 4.29Å; H559-L562 WeakPolarHBondContact O-CB 3.46Å; H559-L562 PolarHBondContact O-N 3.32Å; H559-L562 VanDerWaalsContact O-N 3.08Å; H559-S563 PolarHBondContact O-N 3.33Å; H559-S563 PolarHBondContact O-OG 2.78Å | ||
| 560 | P | 73.1 | Confident | 76.4 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.7 | -38.6 | -171.9 | 22.9 | -34 | 0 | 0 | 0 | 113.8 | I557 S563 V564 | I557-P560 HydrophobicContact CG2-CB 4.13Å; P560-S563 PolarHBondContact O-N 2.71Å; P560-V564 WeakPolarHBondContact O-CB 3.13Å; P560-V564 VanDerWaalsContact O-CG2 3.23Å; P560-V564 WeakPolarHBondContact O-CG2 3.42Å; P560-V564 PolarHBondContact O-N 3.32Å |
| 561 | E | 67.6 | Low | 76.2 | Confident | 106 Ų | 106 | 68.4 Ų | 68.4 | 50% | 0.495 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 176.8 | -63.2 | -177.6 | 176.2 | 0 | 0 | 112.2 | H559 L565 | H559-E561 VanDerWaalsContact C-N 3.33Å; H559-E561 PolarHBondContact O-N 3.43Å; E561-L565 VanDerWaalsContact O-CG 3.29Å; E561-L565 WeakPolarHBondContact O-CG 3.42Å; E561-L565 PolarHBondContact O-N 3.48Å |
| 562 | L | 71.1 | Confident | 75.7 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 36% | 0.356 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 177.6 | -174.4 | 76.2 | 0 | 0 | 0 | 111 | H559 L565 M566 | H559-L562 HydrophobicContact CB-CB 3.85Å; H559-L562 HydrophobicContact CB-CD2 4.29Å; H559-L562 WeakPolarHBondContact O-CB 3.46Å; H559-L562 PolarHBondContact O-N 3.32Å; H559-L562 VanDerWaalsContact O-N 3.08Å; L562-L565 PolarHBondContact O-N 3.16Å; L562-M566 HydrophobicContact CD1-CE 4.24Å; L562-M566 HydrophobicContact CD2-CE 3.92Å; L562-M566 HydrophobicContact CG-CE 3.9Å; L562-M566 HydrophobicContact CG-SD 4.34Å; L562-M566 WeakPolarHBondContact O-CG 3.2Å; L562-M566 PolarHBondContact O-N 2.75Å |
| 563 | S | 77.7 | Confident | 75 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.6 | -36.3 | -179 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | H559 P560 M566 I567 | H559-S563 PolarHBondContact O-N 3.33Å; H559-S563 PolarHBondContact O-OG 2.78Å; P560-S563 PolarHBondContact O-N 2.71Å; S563-M566 PolarHBondContact O-N 3.47Å; S563-I567 VanDerWaalsContact O-CG1 3.32Å; S563-I567 WeakPolarHBondContact O-CG1 3.5Å; S563-I567 PolarHBondContact O-N 3.41Å |
| 564 | V | 78.6 | Confident | 74.6 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 170.4 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | P543 I546 K547 M550 P560 I567 Q568 | P543-V564 HydrophobicContact CB-CG1 4.18Å; I546-V564 HydrophobicContact CB-CG1 4.37Å; I546-V564 HydrophobicContact CG2-CB 4.49Å; I546-V564 HydrophobicContact CG2-CG1 4.24Å; I546-V564 HydrophobicContact CG2-CG2 4.19Å; K547-V564 HydrophobicContact CB-CG2 4.12Å; M550-V564 HydrophobicContact CE-CG2 4.3Å; M550-V564 HydrophobicContact SD-CG2 3.5Å; M550-V564 VanDerWaalsContact SD-CG2 3.5Å; P560-V564 WeakPolarHBondContact O-CB 3.13Å; P560-V564 VanDerWaalsContact O-CG2 3.23Å; P560-V564 WeakPolarHBondContact O-CG2 3.42Å; P560-V564 PolarHBondContact O-N 3.32Å; V564-I567 PolarHBondContact O-N 2.93Å; V564-Q568 HydrophobicContact CG1-CG 4.44Å; V564-Q568 WeakPolarHBondContact O-CG 3.4Å; V564-Q568 PolarHBondContact O-N 3.2Å |
| 565 | L | 72.7 | Confident | 74 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 23% | 0.225 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | 176.5 | -72.9 | 168.4 | 0 | 0 | 0 | 112.1 | E561 L562 I567 Q568 E569 L1497 | E561-L565 VanDerWaalsContact O-CG 3.29Å; E561-L565 WeakPolarHBondContact O-CG 3.42Å; E561-L565 PolarHBondContact O-N 3.48Å; L562-L565 PolarHBondContact O-N 3.16Å; L565-I567 PolarHBondContact O-N 2.96Å; L565-Q568 PolarHBondContact O-N 2.87Å; L565-E569 PolarHBondContact O-N 3.15Å; L565-L1497 HydrophobicContact CD1-CG 4.48Å; L565-L1497 WeakPolarHBondContact CD1-O 3.45Å |
| 566 | M | 79.5 | Confident | 74.2 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 173.9 | -74.5 | 175.1 | 174.5 | 0 | 0 | 111.6 | L484 K485 Y488 L562 S563 Q568 E569 I570 | L484-M566 HydrophobicContact CD1-CB 4.31Å; L484-M566 HydrophobicContact CD2-CB 4.26Å; L484-M566 HydrophobicContact CD2-SD 4.14Å; L484-M566 HydrophobicContact CG-CB 4.42Å; L484-M566 HydrophobicContact CG-SD 4.15Å; K485-M566 HydrophobicContact CG-CE 4.28Å; K485-M566 HydrophobicContact CG-SD 4.4Å; Y488-M566 HydrophobicContact CD1-CE 4.02Å; Y488-M566 HydrophobicContact CD1-CG 4.42Å; Y488-M566 HydrophobicContact CD1-SD 4.49Å; Y488-M566 HydrophobicContact CD2-CG 4.36Å; Y488-M566 HydrophobicContact CE1-CE 4.09Å; Y488-M566 HydrophobicContact CE1-CG 4.43Å; Y488-M566 HydrophobicContact CE2-CG 4.4Å; Y488-M566 HydrophobicContact CG-CG 4.37Å; L562-M566 HydrophobicContact CD1-CE 4.24Å; L562-M566 HydrophobicContact CD2-CE 3.92Å; L562-M566 HydrophobicContact CG-CE 3.9Å; L562-M566 HydrophobicContact CG-SD 4.34Å; L562-M566 WeakPolarHBondContact O-CG 3.2Å; L562-M566 PolarHBondContact O-N 2.75Å; S563-M566 PolarHBondContact O-N 3.47Å; M566-Q568 VanDerWaalsContact C-N 3.33Å; M566-Q568 PolarHBondContact O-N 3.05Å; M566-E569 PolarHBondContact O-N 2.84Å; M566-I570 VanDerWaalsContact O-CB 3.31Å; M566-I570 WeakPolarHBondContact O-CB 3.38Å; M566-I570 WeakPolarHBondContact O-CD1 3.01Å; M566-I570 WeakPolarHBondContact O-CG1 3.33Å; M566-I570 PolarHBondContact O-N 2.87Å |
| 567 | I | 83.2 | Confident | 74.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -35.7 | 176.5 | -68.4 | 164.2 | 0 | 0 | 0 | 111.1 | L484 I509 C513 I546 M550 S563 V564 L565 I570 L571 | L484-I567 HydrophobicContact CD1-CG1 4.36Å; I509-I567 HydrophobicContact CG2-CD1 3.85Å; C513-I567 HydrophobicContact CB-CG2 4.45Å; I546-I567 HydrophobicContact CG2-CB 4.01Å; I546-I567 HydrophobicContact CG2-CD1 4.25Å; I546-I567 HydrophobicContact CG2-CG2 3.68Å; M550-I567 HydrophobicContact CE-CD1 4.03Å; M550-I567 HydrophobicContact CG-CD1 3.86Å; M550-I567 HydrophobicContact SD-CD1 3.7Å; S563-I567 VanDerWaalsContact O-CG1 3.32Å; S563-I567 WeakPolarHBondContact O-CG1 3.5Å; S563-I567 PolarHBondContact O-N 3.41Å; V564-I567 PolarHBondContact O-N 2.93Å; L565-I567 PolarHBondContact O-N 2.96Å; I567-I570 WeakPolarHBondContact O-CB 3.26Å; I567-I570 PolarHBondContact O-N 3.08Å; I567-L571 HydrophobicContact CG2-CD1 3.95Å; I567-L571 HydrophobicContact CG2-CG 4.29Å; I567-L571 WeakPolarHBondContact O-CB 3.46Å; I567-L571 WeakPolarHBondContact O-CG 3.49Å; I567-L571 PolarHBondContact O-N 2.74Å |
| 568 | Q | 77.7 | Confident | 75 | Confident | 56 Ų | 56 | 47 Ų | 47 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.7 | -47.2 | 174 | -74 | -175.9 | -49.7 | 0 | 0 | 112.3 | I546 V564 L565 M566 I570 L571 E572 | I546-Q568 HydrophobicContact CD1-CG 3.39Å; V564-Q568 HydrophobicContact CG1-CG 4.44Å; V564-Q568 WeakPolarHBondContact O-CG 3.4Å; V564-Q568 PolarHBondContact O-N 3.2Å; L565-Q568 PolarHBondContact O-N 2.87Å; M566-Q568 VanDerWaalsContact C-N 3.33Å; M566-Q568 PolarHBondContact O-N 3.05Å; Q568-I570 VanDerWaalsContact C-N 3.28Å; Q568-I570 PolarHBondContact O-N 2.87Å; Q568-L571 PolarHBondContact O-N 3.17Å; Q568-E572 PolarHBondContact O-N 2.86Å; Q568-E572 VanDerWaalsContact O-N 3.14Å |
| 569 | E | 73.9 | Confident | 75.6 | Confident | 73 Ų | 73 | 44.9 Ų | 44.9 | 34% | 0.341 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.6 | -36.9 | 173.3 | -69.5 | -176.1 | -171.7 | 0 | 0 | 111.5 | Y488 L565 M566 L571 E572 | Y488-E569 HydrophobicContact CE2-CB 4.3Å; Y488-E569 WeakPolarHBondContact CE2-OE2 3.37Å; Y488-E569 VanDerWaalsContact CZ-OE2 3.23Å; Y488-E569 PolarHBondContact OH-OE2 3.2Å; L565-E569 PolarHBondContact O-N 3.15Å; M566-E569 PolarHBondContact O-N 2.84Å; E569-L571 VanDerWaalsContact C-N 3.34Å; E569-L571 PolarHBondContact O-N 3.37Å; E569-E572 PolarHBondContact O-N 3.17Å |
| 570 | I | 81 | Confident | 75.9 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63 | -38 | 174.5 | -77.1 | 164.7 | 0 | 0 | 0 | 112.1 | L484 M491 I510 M566 I567 Q568 E573 F577 | L484-I570 HydrophobicContact CD1-CD1 3.54Å; M491-I570 HydrophobicContact CE-CB 3.99Å; M491-I570 HydrophobicContact CE-CG1 3.66Å; M491-I570 HydrophobicContact CE-CG2 4.11Å; M491-I570 HydrophobicContact SD-CB 4.4Å; M491-I570 HydrophobicContact SD-CG1 3.82Å; I510-I570 HydrophobicContact CG2-CG2 4.21Å; M566-I570 VanDerWaalsContact O-CB 3.31Å; M566-I570 WeakPolarHBondContact O-CB 3.38Å; M566-I570 WeakPolarHBondContact O-CD1 3.01Å; M566-I570 WeakPolarHBondContact O-CG1 3.33Å; M566-I570 PolarHBondContact O-N 2.87Å; I567-I570 WeakPolarHBondContact O-CB 3.26Å; I567-I570 PolarHBondContact O-N 3.08Å; Q568-I570 VanDerWaalsContact C-N 3.28Å; Q568-I570 PolarHBondContact O-N 2.87Å; I570-E573 PolarHBondContact O-N 3.07Å; I570-F577 HydrophobicContact CG2-CE2 3.69Å; I570-F577 HydrophobicContact CG2-CZ 3.75Å |
| 571 | L | 78.8 | Confident | 75.9 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 12% | 0.115 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -75.1 | -23.2 | 178.5 | -70.4 | 166.6 | 0 | 0 | 0 | 113.2 | C513 I514 I546 I567 Q568 E569 E573 T574 | C513-L571 HydrophobicContact CB-CD1 3.97Å; C513-L571 HydrophobicContact CB-CD2 3.85Å; C513-L571 HydrophobicContact CB-CG 4.4Å; I514-L571 HydrophobicContact CG1-CD2 3.85Å; I546-L571 HydrophobicContact CD1-CD1 3.91Å; I546-L571 HydrophobicContact CG1-CD1 4.41Å; I567-L571 HydrophobicContact CG2-CD1 3.95Å; I567-L571 HydrophobicContact CG2-CG 4.29Å; I567-L571 WeakPolarHBondContact O-CB 3.46Å; I567-L571 WeakPolarHBondContact O-CG 3.49Å; I567-L571 PolarHBondContact O-N 2.74Å; Q568-L571 PolarHBondContact O-N 3.17Å; E569-L571 VanDerWaalsContact C-N 3.34Å; E569-L571 PolarHBondContact O-N 3.37Å; L571-E573 VanDerWaalsContact C-N 3.27Å; L571-T574 WeakPolarHBondContact O-CG2 3.34Å |
| 572 | E | 71.7 | Confident | 75.8 | Confident | 115 Ų | 115 | 37.8 Ų | 37.8 | 54% | 0.537 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 169.4 | -68.3 | -178.2 | 172.6 | 0 | 0 | 110.5 | Q568 E569 K605 | Q568-E572 PolarHBondContact O-N 2.86Å; Q568-E572 VanDerWaalsContact O-N 3.14Å; E569-E572 PolarHBondContact O-N 3.17Å; E572-K605 PolarHBondContact O-NZ 3.48Å |
| 573 | E | 70 | Confident | 75.3 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 32.3 | -174.3 | -52 | -67.4 | -136 | 0 | 0 | 114.6 | M491 I570 L571 Y575 L576 | M491-E573 HydrophobicContact CE-CB 4.36Å; M491-E573 HydrophobicContact SD-CB 4.28Å; I570-E573 PolarHBondContact O-N 3.07Å; L571-E573 VanDerWaalsContact C-N 3.27Å; E573-Y575 HydrophobicContact CB-CE1 4.15Å; E573-Y575 PolarHBondContact O-N 3.16Å; E573-Y575 WeakPolarHBondContact OE2-CE1 3.41Å; E573-L576 HydrophobicContact CB-CD1 4.23Å; E573-L576 PolarHBondContact O-N 3.13Å |
| 574 | T | 72.7 | Confident | 74.4 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 29% | 0.288 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -46.5 | -19.8 | -177.7 | 49.7 | 0 | 0 | 0 | 0 | 117.9 | I514 L571 L576 F577 K605 | I514-T574 HydrophobicContact CG1-CG2 4.26Å; L571-T574 WeakPolarHBondContact O-CG2 3.34Å; T574-L576 VanDerWaalsContact C-N 3.33Å; T574-F577 PolarHBondContact O-N 3.35Å; T574-K605 PolarHBondContact OG1-NZ 3.34Å |
| 575 | Y | 69.5 | Low | 73.1 | Confident | 63 Ų | 63 | 49.5 Ų | 49.5 | 25% | 0.247 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -77.6 | -15.1 | -179.6 | 65.2 | -80.3 | 0 | 0 | 0 | 114.8 | E573 F577 K605 | E573-Y575 HydrophobicContact CB-CE1 4.15Å; E573-Y575 PolarHBondContact O-N 3.16Å; E573-Y575 WeakPolarHBondContact OE2-CE1 3.41Å; Y575-F577 PolarHBondContact O-N 3.22Å; Y575-K605 HydrophobicContact CD1-CB 3.91Å; Y575-K605 HydrophobicContact CD1-CD 3.2Å; Y575-K605 HydrophobicContact CD1-CG 4.16Å; Y575-K605 HydrophobicContact CD2-CB 4.37Å; Y575-K605 HydrophobicContact CE1-CD 3.97Å; Y575-K605 HydrophobicContact CG-CB 3.74Å; Y575-K605 HydrophobicContact CG-CD 3.79Å; Y575-K605 HydrophobicContact CG-CG 4.39Å |
| 576 | L | 75.9 | Confident | 72.3 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -77.3 | -1.9 | 174.7 | -66.8 | 175.9 | 0 | 0 | 0 | 112.1 | M491 P496 V497 E573 T574 | M491-L576 HydrophobicContact CG-CD1 3.99Å; P496-L576 CarbonylContact C-O 3.51Å; P496-L576 VanDerWaalsContact CA-O 3.31Å; P496-L576 WeakPolarHBondContact CA-O 3.35Å; P496-L576 HydrophobicContact CB-CD2 4.3Å; P496-L576 WeakPolarHBondContact CB-O 3.49Å; V497-L576 PolarHBondContact N-O 3.46Å; E573-L576 HydrophobicContact CB-CD1 4.23Å; E573-L576 PolarHBondContact O-N 3.13Å; T574-L576 VanDerWaalsContact C-N 3.33Å |
| 577 | F | 81.1 | Confident | 70.9 | Confident | 16 Ų | 16 | 56 Ų | 56 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151.6 | -179.2 | -62.2 | -76.6 | 0 | 0 | 0 | 113.7 | I487 M491 V497 L499 I514 I570 T574 Y575 L598 | I487-F577 HydrophobicContact CG2-CE1 4.43Å; M491-F577 HydrophobicContact CE-CE2 3.31Å; M491-F577 HydrophobicContact CE-CZ 3.35Å; V497-F577 HydrophobicContact CB-CD1 3.83Å; V497-F577 HydrophobicContact CB-CE1 3.79Å; V497-F577 HydrophobicContact CG1-CD1 4.39Å; V497-F577 HydrophobicContact CG1-CE1 4.23Å; V497-F577 HydrophobicContact CG2-CE1 4.14Å; V497-F577 WeakPolarHBondContact O-CA 3.5Å; L499-F577 HydrophobicContact CD1-CB 4.09Å; L499-F577 HydrophobicContact CD1-CD1 3.72Å; L499-F577 HydrophobicContact CD1-CE1 4.43Å; L499-F577 HydrophobicContact CD1-CG 4.06Å; L499-F577 HydrophobicContact CD2-CD1 3.8Å; L499-F577 HydrophobicContact CD2-CE1 4.03Å; L499-F577 HydrophobicContact CG-CB 4.46Å; L499-F577 HydrophobicContact CG-CD1 3.71Å; L499-F577 HydrophobicContact CG-CE1 4.43Å; L499-F577 HydrophobicContact CG-CG 4.43Å; I514-F577 HydrophobicContact CD1-CB 4.44Å; I570-F577 HydrophobicContact CG2-CE2 3.69Å; I570-F577 HydrophobicContact CG2-CZ 3.75Å; T574-F577 PolarHBondContact O-N 3.35Å; Y575-F577 PolarHBondContact O-N 3.22Å; F577-L598 VanDerWaalsContact C-CD1 3.44Å |
| 578 | S | 78.8 | Confident | 69.4 | Low | 16 Ų | 16 | 61.8 Ų | 61.8 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 129.7 | 167 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | V497 V498 L499 H594 | V497-S578 PolarHBondContact O-N 2.96Å; V498-S578 WeakPolarHBondContact CA-O 3.36Å; L499-S578 PolarHBondContact N-O 3.28Å; S578-H594 PolarHBondContact OG-ND1 3.41Å; S578-H594 VanDerWaalsContact OG-ND1 3.08Å |
| 579 | I | 81.9 | Confident | 68.2 | Low | 50 Ų | 50 | 59.3 Ų | 59.3 | 26% | 0.256 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.5 | -178.1 | -54.4 | 171.8 | 0 | 0 | 0 | 107.6 | K501 I511 I514 H594 | K501-I579 HydrophobicContact CB-CG2 4.11Å; K501-I579 HydrophobicContact CD-CG2 4.16Å; K501-I579 HydrophobicContact CG-CG2 4.5Å; I511-I579 HydrophobicContact CD1-CG2 3.88Å; I511-I579 HydrophobicContact CG1-CD1 4.16Å; I511-I579 HydrophobicContact CG1-CG1 4.08Å; I511-I579 HydrophobicContact CG1-CG2 4.03Å; I511-I579 HydrophobicContact CG2-CD1 4.2Å; I511-I579 HydrophobicContact CG2-CG2 4.41Å; I514-I579 HydrophobicContact CG2-CD1 4.5Å; I579-H594 PolarHBondContact O-CE1 3.25Å; I579-H594 PolarHBondContact O-ND1 3.21Å |
| 580 | C | 77.1 | Confident | 67.8 | Low | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.02 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.9 | 179 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | V498 L499 L500 K501 L591 | V498-C580 HydrophobicContact CG1-CB 4Å; L499-C580 PolarHBondContact O-N 3.42Å; L500-C580 HydrophobicContact CD2-CB 4.13Å; K501-C580 PolarHBondContact N-O 3.31Å; C580-L591 HydrophobicContact CB-CD1 4.43Å |
| 581 | E | 73 | Confident | 67.3 | Low | 94 Ų | 94 | 58.7 Ų | 58.7 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | trans | -90.5 | 130.4 | -176.1 | -52.7 | -161.7 | 134 | 0 | 0 | 110.6 | K331 K501 E583 S584 | K331-E581 PolarHBondContact NZ-O 3.03Å; K501-E581 HydrophobicContact CD-CG 3.85Å; K501-E581 VanDerWaalsContact CD-OE1 3.26Å; K501-E581 WeakPolarHBondContact CD-OE1 3.37Å; K501-E581 WeakPolarHBondContact CE-OE1 3.5Å; K501-E581 IonicContact NZ-OE1 3.69Å; K501-E581 PolarHBondContact NZ-OE1 3.49Å; E581-E583 PolarHBondContact O-N 3.44Å; E581-S584 PolarHBondContact O-N 3.35Å; E581-S584 PolarHBondContact O-OG 2.75Å | ||
| 582 | A | 65.4 | Low | 67 | Low | 9 Ų | 9 | 58 Ų | 58 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -44.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V327 I328 K331 S584 | V327-A582 WeakPolarHBondContact CG1-O 3.4Å; I328-A582 HydrophobicContact CD1-CB 4.2Å; I328-A582 HydrophobicContact CG1-CB 4.14Å; K331-A582 PolarHBondContact NZ-O 2.99Å; A582-S584 VanDerWaalsContact C-N 3.33Å; A582-S584 PolarHBondContact O-N 3.11Å |
| 583 | E | 61.2 | Low | 66.9 | Low | 162 Ų | 162 | 57 Ų | 57 | 76% | 0.757 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -1.4 | -175.3 | -57.7 | -161.7 | 150.7 | 0 | 0 | 115.3 | E581 E585 | E581-E583 PolarHBondContact O-N 3.44Å; E583-E585 PolarHBondContact O-N 3.29Å; E583-E585 VanDerWaalsContact O-N 3.13Å |
| 584 | S | 58.2 | Low | 66.8 | Low | 25 Ų | 25 | 54.1 Ų | 54.1 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | trans | -66.2 | 111.6 | 175.6 | 56.8 | 0 | 0 | 0 | 0 | 111.6 | K331 E581 A582 G589 | K331-S584 PolarHBondContact NZ-O 3Å; K331-S584 PolarHBondContact NZ-OG 3.43Å; K331-S584 VanDerWaalsContact NZ-OG 3.09Å; E581-S584 PolarHBondContact O-N 3.35Å; E581-S584 PolarHBondContact O-OG 2.75Å; A582-S584 VanDerWaalsContact C-N 3.33Å; A582-S584 PolarHBondContact O-N 3.11Å; S584-G589 VanDerWaalsContact OG-CA 3.25Å; S584-G589 WeakPolarHBondContact OG-CA 3.43Å | ||
| 585 | E | 52.8 | Low | 66.9 | Low | 140 Ų | 140 | 52 Ų | 52 | 65% | 0.654 | 25% | 0.248 | S | C | * | . | trans | -83.9 | -8.2 | 173.2 | -68.1 | -161.5 | 152 | 0 | 0 | 113.4 | E583 | E583-E585 PolarHBondContact O-N 3.29Å; E583-E585 VanDerWaalsContact O-N 3.13Å | ||
| 586 | D | 54 | Low | 67 | Low | 75 Ų | 75 | 49.3 Ų | 49.3 | 40% | 0.401 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -63 | 152.8 | 179.1 | -63 | -43.4 | 0 | 0 | 0 | 112.5 | H588 G589 A1371 | D586-H588 HydrophobicContact CB-CB 4.37Å; D586-H588 PolarHBondContact O-N 2.91Å; D586-G589 WeakPolarHBondContact O-CA 3.35Å; D586-G589 PolarHBondContact O-N 3.43Å; D586-A1371 VanDerWaalsContact OD1-CB 3.26Å; D586-A1371 WeakPolarHBondContact OD1-CB 3.37Å |
| 587 | E | 51.4 | Low | 66.5 | Low | 124 Ų | 124 | 49.6 Ų | 49.6 | 58% | 0.579 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -57.6 | -30 | 168.6 | -66.4 | -164.1 | 148.8 | 0 | 0 | 111.8 | G589 E590 | E587-G589 PolarHBondContact O-N 2.89Å; E587-E590 WeakPolarHBondContact O-CB 3.41Å; E587-E590 PolarHBondContact O-N 2.96Å |
| 588 | H | 52.3 | Low | 65.9 | Low | 123 Ų | 123 | 48.9 Ų | 48.9 | 57% | 0.569 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -68.8 | -19.9 | 172.8 | -62.5 | -41.4 | 0 | 0 | 0 | 113.7 | D586 Y593 H594 | D586-H588 HydrophobicContact CB-CB 4.37Å; D586-H588 PolarHBondContact O-N 2.91Å; H588-Y593 AromaticContact ND1-CE2 3.85Å; H588-Y593 VanDerWaalsContact O-CD1 3.28Å; H588-Y593 WeakPolarHBondContact O-CD1 3.25Å; H588-H594 PolarHBondContact O-NE2 2.99Å |
| 589 | G | 52.3 | Low | 65.5 | Low | 3 Ų | 3 | 48.6 Ų | 48.6 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -86.2 | 0.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K331 S584 D586 E587 | K331-G589 WeakPolarHBondContact CE-O 3.36Å; K331-G589 PolarHBondContact NZ-O 3.43Å; S584-G589 VanDerWaalsContact OG-CA 3.25Å; S584-G589 WeakPolarHBondContact OG-CA 3.43Å; D586-G589 WeakPolarHBondContact O-CA 3.35Å; D586-G589 PolarHBondContact O-N 3.43Å; E587-G589 PolarHBondContact O-N 2.89Å |
| 590 | E | 63.9 | Low | 64.7 | Low | 58 Ų | 58 | 46.6 Ų | 46.6 | 27% | 0.271 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -69.4 | 135.4 | 169.7 | -75.2 | -157.9 | 151 | 0 | 0 | 111.2 | K338 E587 D592 Y593 H594 | K338-E590 IonicContact NZ-OE1 3.88Å; K338-E590 PolarHBondContact NZ-OE1 3.33Å; K338-E590 IonicContact NZ-OE2 2.62Å; K338-E590 PolarHBondContact NZ-OE2 3.19Å; E587-E590 WeakPolarHBondContact O-CB 3.41Å; E587-E590 PolarHBondContact O-N 2.96Å; E590-D592 PolarHBondContact O-N 3.02Å; E590-D592 VanDerWaalsContact O-N 3.1Å; E590-Y593 WeakPolarHBondContact O-CB 3.19Å; E590-Y593 PolarHBondContact O-N 3.31Å; E590-H594 PolarHBondContact O-CD2 3.03Å; E590-H594 PolarHBondContact O-N 2.9Å |
| 591 | L | 71 | Confident | 63.9 | Low | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.6 | -25.8 | -179.9 | -164.2 | 66.2 | 0 | 0 | 0 | 113 | K331 I332 L335 F475 V498 L500 C580 H594 L595 | K331-L591 HydrophobicContact CB-CB 4.45Å; I332-L591 HydrophobicContact CB-CD2 4.39Å; I332-L591 HydrophobicContact CG1-CD2 3.52Å; L335-L591 HydrophobicContact CB-CB 4.36Å; L335-L591 HydrophobicContact CB-CD2 4.16Å; L335-L591 HydrophobicContact CD2-CD2 3.62Å; L335-L591 HydrophobicContact CD2-CG 3.96Å; L335-L591 HydrophobicContact CG-CD2 4.44Å; F475-L591 HydrophobicContact CD1-CD1 3.98Å; F475-L591 HydrophobicContact CD1-CD2 4.15Å; F475-L591 HydrophobicContact CD1-CG 4.23Å; F475-L591 HydrophobicContact CE1-CD1 3.64Å; F475-L591 HydrophobicContact CE1-CD2 3.84Å; F475-L591 HydrophobicContact CE1-CG 3.58Å; F475-L591 HydrophobicContact CZ-CG 4.38Å; V498-L591 HydrophobicContact CG1-CD1 4.13Å; L500-L591 HydrophobicContact CD2-CD1 3.83Å; C580-L591 HydrophobicContact CB-CD1 4.43Å; L591-H594 PolarHBondContact O-N 3.37Å; L591-L595 WeakPolarHBondContact O-CB 3.42Å; L591-L595 PolarHBondContact O-N 2.97Å |
| 592 | D | 73.2 | Confident | 63 | Low | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 171.9 | -177.6 | 43 | 0 | 0 | 0 | 111.5 | L335 E590 H594 L595 L596 R638 | L335-D592 HydrophobicContact CD1-CB 3.92Å; E590-D592 PolarHBondContact O-N 3.02Å; E590-D592 VanDerWaalsContact O-N 3.1Å; D592-H594 VanDerWaalsContact C-N 3.3Å; D592-H594 PolarHBondContact O-N 2.89Å; D592-L595 PolarHBondContact O-N 3.47Å; D592-L596 VanDerWaalsContact O-CB 3.3Å; D592-L596 WeakPolarHBondContact O-CB 3.28Å; D592-L596 WeakPolarHBondContact O-CG 3.48Å; D592-L596 PolarHBondContact O-N 3.19Å; D592-L596 VanDerWaalsContact OD1-CD1 3.25Å; D592-L596 WeakPolarHBondContact OD1-CD1 3.46Å; D592-R638 VanDerWaalsContact CG-NH1 3.27Å; D592-R638 IonicContact OD1-CZ 2.94Å; D592-R638 IonicContact OD1-NH1 2.74Å; D592-R638 PolarHBondContact OD1-NH1 3.4Å; D592-R638 VanDerWaalsContact OD1-NH1 3.07Å; D592-R638 IonicContact OD2-CZ 3.31Å; D592-R638 IonicContact OD2-NH1 3.39Å; D592-R638 PolarHBondContact OD2-NH1 3.29Å; D592-R638 IonicContact OD2-NH2 3.7Å; D592-R638 PolarHBondContact OD2-NH2 3.32Å |
| 593 | Y | 69.6 | Low | 62.3 | Low | 92 Ų | 92 | 45.9 Ų | 45.9 | 36% | 0.361 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.6 | -43.1 | 173.4 | 178.9 | -93.2 | 0 | 0 | 0 | 111.5 | H588 E590 L596 S597 | H588-Y593 AromaticContact ND1-CE2 3.85Å; H588-Y593 VanDerWaalsContact O-CD1 3.28Å; H588-Y593 WeakPolarHBondContact O-CD1 3.25Å; E590-Y593 WeakPolarHBondContact O-CB 3.19Å; E590-Y593 PolarHBondContact O-N 3.31Å; Y593-L596 PolarHBondContact O-N 3.37Å; Y593-S597 WeakPolarHBondContact O-CB 3Å; Y593-S597 PolarHBondContact O-N 2.91Å |
| 594 | H | 67.7 | Low | 61.6 | Low | 21 Ų | 21 | 42.9 Ų | 42.9 | 10% | 0.097 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.1 | -47.8 | 177.4 | -73.9 | -81.9 | 0 | 0 | 0 | 112.7 | V498 S578 I579 H588 E590 L591 D592 L596 S597 L598 | V498-H594 HydrophobicContact CG1-CB 4.15Å; S578-H594 PolarHBondContact OG-ND1 3.41Å; S578-H594 VanDerWaalsContact OG-ND1 3.08Å; I579-H594 PolarHBondContact O-CE1 3.25Å; I579-H594 PolarHBondContact O-ND1 3.21Å; H588-H594 PolarHBondContact O-NE2 2.99Å; E590-H594 PolarHBondContact O-CD2 3.03Å; E590-H594 PolarHBondContact O-N 2.9Å; L591-H594 PolarHBondContact O-N 3.37Å; D592-H594 VanDerWaalsContact C-N 3.3Å; D592-H594 PolarHBondContact O-N 2.89Å; H594-L596 VanDerWaalsContact C-N 3.31Å; H594-L596 PolarHBondContact O-N 2.89Å; H594-S597 WeakPolarHBondContact O-CB 3.31Å; H594-S597 PolarHBondContact O-N 2.81Å; H594-L598 WeakPolarHBondContact O-CB 3.32Å; H594-L598 PolarHBondContact O-N 3.06Å |
| 595 | L | 75.1 | Confident | 60.9 | Low | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -51.5 | -51.6 | 173 | 172.3 | 64.4 | 0 | 0 | 0 | 111.1 | L314 L316 L335 C473 F475 L591 D592 S597 L598 I599 | L314-L595 HydrophobicContact CD2-CD2 4.13Å; L316-L595 HydrophobicContact CD2-CD1 3.88Å; L316-L595 HydrophobicContact CD2-CD2 3.74Å; L316-L595 HydrophobicContact CD2-CG 4.5Å; L335-L595 HydrophobicContact CD1-CB 4.33Å; L335-L595 HydrophobicContact CD1-CD2 3.79Å; C473-L595 HydrophobicContact CB-CD1 3.35Å; C473-L595 WeakPolarHBondContact SG-CD1 3.16Å; F475-L595 HydrophobicContact CE2-CD1 4.41Å; F475-L595 HydrophobicContact CZ-CB 4.23Å; F475-L595 HydrophobicContact CZ-CD1 4.14Å; L591-L595 WeakPolarHBondContact O-CB 3.42Å; L591-L595 PolarHBondContact O-N 2.97Å; D592-L595 PolarHBondContact O-N 3.47Å; L595-S597 VanDerWaalsContact C-N 3.32Å; L595-S597 PolarHBondContact O-N 3.45Å; L595-L598 PolarHBondContact O-N 3.35Å; L595-I599 HydrophobicContact CD1-CD1 3.63Å; L595-I599 HydrophobicContact CD1-CG1 4.21Å; L595-I599 HydrophobicContact CG-CD1 3.94Å; L595-I599 WeakPolarHBondContact O-CG1 3.24Å; L595-I599 PolarHBondContact O-N 3.12Å |
| 596 | L | 70.5 | Confident | 60.5 | Low | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.6 | -18.8 | -176.3 | -61 | 176.6 | 0 | 0 | 0 | 112.9 | D592 Y593 H594 M600 L636 R638 I641 K645 | D592-L596 VanDerWaalsContact O-CB 3.3Å; D592-L596 WeakPolarHBondContact O-CB 3.28Å; D592-L596 WeakPolarHBondContact O-CG 3.48Å; D592-L596 PolarHBondContact O-N 3.19Å; D592-L596 VanDerWaalsContact OD1-CD1 3.25Å; D592-L596 WeakPolarHBondContact OD1-CD1 3.46Å; Y593-L596 PolarHBondContact O-N 3.37Å; H594-L596 VanDerWaalsContact C-N 3.31Å; H594-L596 PolarHBondContact O-N 2.89Å; L596-M600 WeakPolarHBondContact O-CG 3.49Å; L596-L636 HydrophobicContact CD2-CD1 3.96Å; L596-R638 HydrophobicContact CD1-CG 4.24Å; L596-R638 VanDerWaalsContact CD1-CZ 3.41Å; L596-I641 HydrophobicContact CB-CD1 3.7Å; L596-I641 HydrophobicContact CB-CG1 4Å; L596-I641 HydrophobicContact CD1-CD1 3.66Å; L596-I641 HydrophobicContact CD1-CG1 3.91Å; L596-I641 HydrophobicContact CD2-CD1 3.48Å; L596-I641 VanDerWaalsContact CD2-CD1 3.48Å; L596-I641 HydrophobicContact CG-CD1 3.75Å; L596-I641 HydrophobicContact CG-CG1 4.34Å; L596-K645 VanDerWaalsContact C-NZ 3.3Å; L596-K645 PolarHBondContact O-NZ 2.71Å |
| 597 | S | 66.4 | Low | 59.8 | Low | 11 Ų | 11 | 44.5 Ų | 44.5 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.1 | -49.5 | 166.6 | -165 | 0 | 0 | 0 | 0 | 109.4 | Y593 H594 L595 M600 N601 | Y593-S597 WeakPolarHBondContact O-CB 3Å; Y593-S597 PolarHBondContact O-N 2.91Å; H594-S597 WeakPolarHBondContact O-CB 3.31Å; H594-S597 PolarHBondContact O-N 2.81Å; L595-S597 VanDerWaalsContact C-N 3.32Å; L595-S597 PolarHBondContact O-N 3.45Å; S597-M600 CarbonylContact O-C 3.5Å; S597-M600 PolarHBondContact O-N 3.45Å; S597-M600 VanDerWaalsContact O-N 3.09Å; S597-N601 VanDerWaalsContact O-CB 3.28Å; S597-N601 WeakPolarHBondContact O-CB 3.27Å; S597-N601 PolarHBondContact O-N 3.11Å; S597-N601 PolarHBondContact O-ND2 3.09Å; S597-N601 PolarHBondContact O-OD1 2.86Å; S597-N601 PolarHBondContact OG-ND2 3.11Å |
| 598 | L | 69.2 | Low | 59.2 | Low | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -76.6 | -24.8 | -172.1 | -179.8 | 123 | 0 | 0 | 0 | 114.6 | C473 P496 V497 V498 F577 H594 L595 M600 P602 | C473-L598 WeakPolarHBondContact SG-CD2 3.42Å; P496-L598 HydrophobicContact CB-CD1 4.27Å; P496-L598 HydrophobicContact CB-CD2 3.49Å; P496-L598 VanDerWaalsContact CB-CD2 3.49Å; P496-L598 HydrophobicContact CB-CG 3.69Å; P496-L598 HydrophobicContact CG-CD2 3.6Å; P496-L598 HydrophobicContact CG-CG 4.19Å; V497-L598 WeakPolarHBondContact O-CD1 3.43Å; V498-L598 HydrophobicContact CG2-CB 4.42Å; V498-L598 HydrophobicContact CG2-CD1 4.18Å; V498-L598 HydrophobicContact CG2-CD2 3.86Å; V498-L598 HydrophobicContact CG2-CG 4.39Å; F577-L598 VanDerWaalsContact C-CD1 3.44Å; H594-L598 WeakPolarHBondContact O-CB 3.32Å; H594-L598 PolarHBondContact O-N 3.06Å; L595-L598 PolarHBondContact O-N 3.35Å; L598-M600 VanDerWaalsContact C-N 3.29Å; L598-P602 WeakPolarHBondContact O-CD 3.29Å |
| 599 | I | 69.4 | Low | 58.4 | Low | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -29.3 | 166.3 | -74.5 | 169.8 | 0 | 0 | 0 | 111.4 | L314 Q471 L595 P602 I632 L636 | L314-I599 HydrophobicContact CD1-CD1 3.92Å; Q471-I599 HydrophobicContact CB-CD1 4.14Å; Q471-I599 HydrophobicContact CG-CG2 4.21Å; L595-I599 HydrophobicContact CD1-CD1 3.63Å; L595-I599 HydrophobicContact CD1-CG1 4.21Å; L595-I599 HydrophobicContact CG-CD1 3.94Å; L595-I599 WeakPolarHBondContact O-CG1 3.24Å; L595-I599 PolarHBondContact O-N 3.12Å; I599-P602 WeakPolarHBondContact O-CD 3.4Å; I599-I632 HydrophobicContact CG2-CG2 3.75Å; I599-L636 HydrophobicContact CD1-CD1 4.39Å; I599-L636 HydrophobicContact CG2-CD1 4.38Å |
| 600 | M | 65.1 | Low | 57.3 | Low | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -27.1 | -173.7 | -57.7 | -72.2 | -75.3 | 0 | 0 | 113.1 | L596 S597 L598 C603 L629 I632 I641 K645 V646 | L596-M600 WeakPolarHBondContact O-CG 3.49Å; S597-M600 CarbonylContact O-C 3.5Å; S597-M600 PolarHBondContact O-N 3.45Å; S597-M600 VanDerWaalsContact O-N 3.09Å; L598-M600 VanDerWaalsContact C-N 3.29Å; M600-C603 PolarHBondContact O-N 2.97Å; M600-L629 HydrophobicContact CB-CD2 4.26Å; M600-L629 HydrophobicContact CE-CB 3.84Å; M600-L629 HydrophobicContact CE-CD2 3.68Å; M600-L629 HydrophobicContact CE-CG 4.29Å; M600-L629 HydrophobicContact SD-CD2 3.65Å; M600-I632 HydrophobicContact SD-CG2 4.22Å; M600-I641 HydrophobicContact CE-CG2 3.77Å; M600-I641 HydrophobicContact CG-CG2 3.72Å; M600-I641 HydrophobicContact SD-CG2 4.09Å; M600-K645 HydrophobicContact CB-CD 3.61Å; M600-K645 HydrophobicContact CE-CB 4.13Å; M600-K645 HydrophobicContact CG-CD 3.95Å; M600-V646 HydrophobicContact CE-CG2 3.52Å |
| 601 | N | 61 | Low | 55.8 | Low | 25 Ų | 25 | 49.8 Ų | 49.8 | 13% | 0.134 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -66.8 | -16.6 | 178.5 | -71.5 | -20.2 | 0 | 0 | 0 | 116.6 | S597 C603 K604 | S597-N601 VanDerWaalsContact O-CB 3.28Å; S597-N601 WeakPolarHBondContact O-CB 3.27Å; S597-N601 PolarHBondContact O-N 3.11Å; S597-N601 PolarHBondContact O-ND2 3.09Å; S597-N601 PolarHBondContact O-OD1 2.86Å; S597-N601 PolarHBondContact OG-ND2 3.11Å; N601-C603 PolarHBondContact O-N 3.33Å; N601-K604 WeakPolarHBondContact O-CB 3.16Å; N601-K604 PolarHBondContact O-N 3.07Å; N601-K604 VanDerWaalsContact OD1-CD 3.31Å; N601-K604 WeakPolarHBondContact OD1-CD 3.26Å; N601-K604 VanDerWaalsContact OD1-CE 3.23Å; N601-K604 WeakPolarHBondContact OD1-CE 3.25Å; N601-K604 PolarHBondContact OD1-NZ 3.24Å |
| 602 | P | 52.8 | Low | 53.9 | Low | 46 Ų | 46 | 58.9 Ų | 58.9 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -59.6 | -20.7 | 173.5 | -25.8 | 37.3 | 0 | 0 | 0 | 112.8 | L598 I599 | L598-P602 WeakPolarHBondContact O-CD 3.29Å; I599-P602 WeakPolarHBondContact O-CD 3.4Å |
| 603 | C | 50.9 | Low | 51.8 | Low | 21 Ų | 21 | 64.3 Ų | 64.3 | 14% | 0.142 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -78.2 | -18.3 | 172.2 | -61.8 | 0 | 0 | 0 | 0 | 114 | M600 N601 L625 L629 | M600-C603 PolarHBondContact O-N 2.97Å; N601-C603 PolarHBondContact O-N 3.33Å; C603-L625 HydrophobicContact CB-CD1 4.3Å; C603-L625 HydrophobicContact CB-CD2 3.87Å; C603-L625 HydrophobicContact CB-CG 4.12Å; C603-L625 WeakPolarHBondContact SG-CD1 3.35Å; C603-L629 HydrophobicContact CB-CD1 3.99Å; C603-L629 HydrophobicContact CB-CD2 4.39Å; C603-L629 VanDerWaalsContact SG-CD2 3.57Å |
| 604 | K | 46.2 | Very low | 49.8 | Very low | 99 Ų | 99 | 62.2 Ų | 62.2 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -79.3 | -17.5 | -174.3 | -77.3 | -173.1 | -176.4 | 157.7 | 0 | 115.2 | N601 L607 L608 | N601-K604 WeakPolarHBondContact O-CB 3.16Å; N601-K604 PolarHBondContact O-N 3.07Å; N601-K604 VanDerWaalsContact OD1-CD 3.31Å; N601-K604 WeakPolarHBondContact OD1-CD 3.26Å; N601-K604 VanDerWaalsContact OD1-CE 3.23Å; N601-K604 WeakPolarHBondContact OD1-CE 3.25Å; N601-K604 PolarHBondContact OD1-NZ 3.24Å; K604-L607 WeakPolarHBondContact O-CA 3.38Å; K604-L607 VanDerWaalsContact O-CB 3.28Å; K604-L607 WeakPolarHBondContact O-CB 3.34Å; K604-L607 PolarHBondContact O-N 3.04Å; K604-L608 PolarHBondContact O-N 2.74Å |
| 605 | K | 44.8 | Very low | 48.1 | Very low | 51 Ų | 51 | 65.6 Ų | 65.6 | 22% | 0.222 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -84.8 | -16.7 | 176.9 | -148.2 | 172.6 | -177.3 | 171.8 | 0 | 114.2 | E572 T574 Y575 L607 | E572-K605 PolarHBondContact O-NZ 3.48Å; T574-K605 PolarHBondContact OG1-NZ 3.34Å; Y575-K605 HydrophobicContact CD1-CB 3.91Å; Y575-K605 HydrophobicContact CD1-CD 3.2Å; Y575-K605 HydrophobicContact CD1-CG 4.16Å; Y575-K605 HydrophobicContact CD2-CB 4.37Å; Y575-K605 HydrophobicContact CE1-CD 3.97Å; Y575-K605 HydrophobicContact CG-CB 3.74Å; Y575-K605 HydrophobicContact CG-CD 3.79Å; Y575-K605 HydrophobicContact CG-CG 4.39Å; K605-L607 PolarHBondContact O-N 2.81Å |
| 606 | C | 44.8 | Very low | 46.1 | Very low | 102 Ų | 102 | 72.9 Ų | 72.9 | 69% | 0.689 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.9 | 156.7 | -67.8 | 0 | 0 | 0 | 0 | 112 | ||
| 607 | L | 39.3 | Very low | 44.3 | Very low | 120 Ų | 120 | 79.7 Ų | 79.7 | 63% | 0.628 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -15.3 | -175.8 | -85.2 | 154.3 | 0 | 0 | 0 | 115.2 | K604 K605 I611 | K604-L607 WeakPolarHBondContact O-CA 3.38Å; K604-L607 VanDerWaalsContact O-CB 3.28Å; K604-L607 WeakPolarHBondContact O-CB 3.34Å; K604-L607 PolarHBondContact O-N 3.04Å; K605-L607 PolarHBondContact O-N 2.81Å; L607-I611 VanDerWaalsContact O-CD1 3.29Å; L607-I611 WeakPolarHBondContact O-CD1 3.5Å; L607-I611 WeakPolarHBondContact O-CG1 3.21Å |
| 608 | L | 38.3 | Very low | 42.8 | Very low | 109 Ų | 109 | 85.8 Ų | 85.8 | 57% | 0.571 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -25.4 | -164 | -100.6 | 151.7 | 0 | 0 | 0 | 117.9 | K604 I611 | K604-L608 PolarHBondContact O-N 2.74Å; L608-I611 HydrophobicContact CD2-CD1 3.9Å; L608-I611 HydrophobicContact CG-CD1 4.2Å |
| 609 | N | 34.2 | Very low | 41.4 | Very low | 128 Ų | 128 | 92.7 Ų | 92.7 | 68% | 0.684 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -93.7 | -4 | -179.5 | -86.5 | 3.8 | 0 | 0 | 0 | 115.3 | ||
| 610 | N | 30.8 | Very low | 40.1 | Very low | 86 Ų | 86 | 100 Ų | 100 | 46% | 0.46 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -119.4 | 11.9 | -176.7 | -84.1 | -17.8 | 0 | 0 | 0 | 114.7 | Y612 L614 | N610-Y612 VanDerWaalsContact C-N 3.29Å; N610-Y612 PolarHBondContact O-N 3.22Å; N610-L614 HydrophobicContact CB-CB 4.36Å; N610-L614 HydrophobicContact CB-CD1 3.82Å; N610-L614 VanDerWaalsContact CG-CD1 3.4Å; N610-L614 VanDerWaalsContact ND2-CD1 3.26Å; N610-L614 WeakPolarHBondContact ND2-CD1 3.34Å |
| 611 | I | 31.5 | Very low | 39.2 | Very low | 97 Ų | 97 | 105.7 Ų | 105.7 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23.6 | -165.1 | -72.1 | -177.7 | 0 | 0 | 0 | 115.9 | L607 L608 | L607-I611 VanDerWaalsContact O-CD1 3.29Å; L607-I611 WeakPolarHBondContact O-CD1 3.5Å; L607-I611 WeakPolarHBondContact O-CG1 3.21Å; L608-I611 HydrophobicContact CD2-CD1 3.9Å; L608-I611 HydrophobicContact CG-CD1 4.2Å |
| 612 | Y | 31 | Very low | 38.8 | Very low | 194 Ų | 194 | 108.6 Ų | 108.6 | 76% | 0.761 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -6.8 | -172.5 | -96.7 | -81.9 | 0 | 0 | 0 | 117.8 | N610 | N610-Y612 VanDerWaalsContact C-N 3.29Å; N610-Y612 PolarHBondContact O-N 3.22Å |
| 613 | V | 29.1 | Very low | 39 | Very low | 123 Ų | 123 | 109 Ų | 109 | 75% | 0.745 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | -21.3 | -178.9 | -177.2 | 0 | 0 | 0 | 0 | 113 | ||
| 614 | L | 28.9 | Very low | 39.5 | Very low | 47 Ų | 47 | 113.1 Ų | 113.1 | 25% | 0.246 | 58% | 0.583 | C | S | . | * | trans | -105.6 | 17.2 | -177.3 | -75.6 | 163.1 | 0 | 0 | 0 | 114.7 | N610 I616 K617 E618 | N610-L614 HydrophobicContact CB-CB 4.36Å; N610-L614 HydrophobicContact CB-CD1 3.82Å; N610-L614 VanDerWaalsContact CG-CD1 3.4Å; N610-L614 VanDerWaalsContact ND2-CD1 3.26Å; N610-L614 WeakPolarHBondContact ND2-CD1 3.34Å; L614-I616 PolarHBondContact O-N 2.71Å; L614-K617 HydrophobicContact CD2-CB 3.57Å; L614-K617 PolarHBondContact O-N 3.13Å; L614-E618 VanDerWaalsContact CD1-CD 3.42Å; L614-E618 HydrophobicContact CD1-CG 4.34Å; L614-E618 WeakPolarHBondContact CD1-OE1 3.39Å; L614-E618 WeakPolarHBondContact CD1-OE2 3.13Å; L614-E618 HydrophobicContact CD2-CG 3.91Å | ||
| 615 | A | 30.3 | Very low | 40.1 | Very low | 92 Ų | 92 | 111.4 Ų | 111.4 | 76% | 0.76 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 616 | I | 34.4 | Very low | 41.2 | Very low | 155 Ų | 155 | 110.4 Ų | 110.4 | 80% | 0.795 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.6 | -12.8 | -174.5 | -57.4 | -178.2 | 0 | 0 | 0 | 112.9 | L614 | L614-I616 PolarHBondContact O-N 2.71Š|
| 617 | K | 32.1 | Very low | 42.5 | Very low | 149 Ų | 149 | 108 Ų | 108 | 65% | 0.648 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.7 | -10.6 | -152.4 | -89.5 | -165 | 176.4 | -158.8 | 0 | 123 | L614 | L614-K617 HydrophobicContact CD2-CB 3.57Å; L614-K617 PolarHBondContact O-N 3.13Å |
| 618 | E | 35.6 | Very low | 43.8 | Very low | 139 Ų | 139 | 105.6 Ų | 105.6 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | trans | -113.5 | 127.6 | -179.8 | -83.6 | 171.3 | -168.9 | 0 | 0 | 112.7 | L614 | L614-E618 VanDerWaalsContact CD1-CD 3.42Å; L614-E618 HydrophobicContact CD1-CG 4.34Å; L614-E618 WeakPolarHBondContact CD1-OE1 3.39Å; L614-E618 WeakPolarHBondContact CD1-OE2 3.13Å; L614-E618 HydrophobicContact CD2-CG 3.91Å | ||
| 619 | N | 39.4 | Very low | 45.4 | Very low | 146 Ų | 146 | 101 Ų | 101 | 78% | 0.781 | 52% | 0.52 | S | S | * | . | trans | -118.6 | 25.4 | -156.2 | -134.4 | 2.7 | 0 | 0 | 0 | 112.1 | ||||
| 620 | E | 40.8 | Very low | 47.5 | Very low | 165 Ų | 165 | 95 Ų | 95 | 77% | 0.771 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -73.8 | 125.8 | 169 | -69.3 | -165.4 | 148 | 0 | 0 | 109 | P622 | E620-P622 VanDerWaalsContact O-CD 3.29Å; E620-P622 WeakPolarHBondContact O-CD 3.47Å; E620-P622 VanDerWaalsContact O-N 3.13Å |
| 621 | K | 48.1 | Very low | 49.6 | Very low | 126 Ų | 126 | 91.8 Ų | 91.8 | 55% | 0.548 | 47% | 0.472 | S | S | . | . | trans | -63.3 | 114.1 | -163.1 | -56.9 | 168 | -163.7 | 163.5 | 0 | 110.6 | D623 E624 | K621-D623 PolarHBondContact O-N 3.09Å; K621-E624 HydrophobicContact CD-CG 4.25Å; K621-E624 WeakPolarHBondContact CD-OE1 3.46Å; K621-E624 WeakPolarHBondContact CE-OE1 3.28Å; K621-E624 IonicContact NZ-OE1 3.79Å; K621-E624 PolarHBondContact NZ-OE1 3.45Å; K621-E624 PolarHBondContact O-N 2.81Å | ||
| 622 | P | 51.5 | Low | 51.5 | Low | 86 Ų | 86 | 88 Ų | 88 | 56% | 0.558 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.6 | -23.4 | 177.6 | 24.9 | -34.3 | 0 | 0 | 0 | 112.2 | E620 N626 | E620-P622 VanDerWaalsContact O-CD 3.29Å; E620-P622 WeakPolarHBondContact O-CD 3.47Å; E620-P622 VanDerWaalsContact O-N 3.13Å; P622-N626 WeakPolarHBondContact O-CB 3.48Å; P622-N626 PolarHBondContact O-N 3.42Å; P622-N626 VanDerWaalsContact O-N 3.11Å; P622-N626 PolarHBondContact O-ND2 3.4Å; P622-N626 VanDerWaalsContact O-ND2 3.12Å |
| 623 | D | 57.1 | Low | 53.8 | Low | 55 Ų | 55 | 78.8 Ų | 78.8 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.7 | -38.6 | -176.7 | -53.8 | -24.8 | 0 | 0 | 0 | 114.1 | K621 N626 E627 K657 | K621-D623 PolarHBondContact O-N 3.09Å; D623-N626 PolarHBondContact O-N 3.02Å; D623-E627 WeakPolarHBondContact O-CB 3.39Å; D623-E627 WeakPolarHBondContact O-CG 3.46Å; D623-E627 PolarHBondContact O-N 3.41Å; D623-K657 HydrophobicContact CB-CD 4.11Å; D623-K657 VanDerWaalsContact CG-NZ 3.28Å; D623-K657 IonicContact OD2-NZ 4Å; D623-K657 PolarHBondContact OD2-NZ 3Å |
| 624 | E | 61 | Low | 56 | Low | 106 Ų | 106 | 73.5 Ų | 73.5 | 50% | 0.495 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.4 | -38.5 | -178.1 | -72.6 | 177.5 | -168.8 | 0 | 0 | 110.7 | K621 E627 T628 | K621-E624 HydrophobicContact CD-CG 4.25Å; K621-E624 WeakPolarHBondContact CD-OE1 3.46Å; K621-E624 WeakPolarHBondContact CE-OE1 3.28Å; K621-E624 IonicContact NZ-OE1 3.79Å; K621-E624 PolarHBondContact NZ-OE1 3.45Å; K621-E624 PolarHBondContact O-N 2.81Å; E624-E627 PolarHBondContact O-N 3.26Å; E624-T628 PolarHBondContact O-N 3.45Å |
| 625 | L | 60.1 | Low | 58 | Low | 63 Ų | 63 | 71.6 Ų | 71.6 | 33% | 0.33 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 173.3 | -165.9 | 65.8 | 0 | 0 | 0 | 111 | C603 E627 T628 L629 | C603-L625 HydrophobicContact CB-CD1 4.3Å; C603-L625 HydrophobicContact CB-CD2 3.87Å; C603-L625 HydrophobicContact CB-CG 4.12Å; C603-L625 WeakPolarHBondContact SG-CD1 3.35Å; L625-E627 VanDerWaalsContact C-N 3.33Å; L625-E627 PolarHBondContact O-N 3.19Å; L625-T628 PolarHBondContact O-N 2.67Å; L625-T628 PolarHBondContact O-OG1 2.94Å; L625-L629 WeakPolarHBondContact O-CG 3.4Å; L625-L629 PolarHBondContact O-N 3.09Å |
| 626 | N | 67.5 | Low | 60 | Low | 30 Ų | 30 | 67.4 Ų | 67.4 | 16% | 0.16 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 177.8 | -71.3 | -23.6 | 0 | 0 | 0 | 112.5 | P622 D623 L629 L630 W653 | P622-N626 WeakPolarHBondContact O-CB 3.48Å; P622-N626 PolarHBondContact O-N 3.42Å; P622-N626 VanDerWaalsContact O-N 3.11Å; P622-N626 PolarHBondContact O-ND2 3.4Å; P622-N626 VanDerWaalsContact O-ND2 3.12Å; D623-N626 PolarHBondContact O-N 3.02Å; N626-L629 PolarHBondContact O-N 2.82Å; N626-L630 WeakPolarHBondContact O-CB 3.49Å; N626-L630 PolarHBondContact O-N 3.26Å; N626-W653 HydrophobicContact CB-CH2 3.53Å; N626-W653 HydrophobicContact CB-CZ2 3.6Å; N626-W653 HydrophobicContact CB-CZ3 4.38Å; N626-W653 WeakPolarHBondContact O-CH2 3.33Å |
| 627 | E | 71.3 | Confident | 61.9 | Low | 53 Ų | 53 | 63 Ų | 63 | 25% | 0.248 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | 172.8 | -80 | 178.9 | -154.4 | 0 | 0 | 111.9 | D623 E624 L625 L630 S631 W653 K657 | D623-E627 WeakPolarHBondContact O-CB 3.39Å; D623-E627 WeakPolarHBondContact O-CG 3.46Å; D623-E627 PolarHBondContact O-N 3.41Å; E624-E627 PolarHBondContact O-N 3.26Å; L625-E627 VanDerWaalsContact C-N 3.33Å; L625-E627 PolarHBondContact O-N 3.19Å; E627-L630 WeakPolarHBondContact O-CB 3.46Å; E627-L630 PolarHBondContact O-N 2.89Å; E627-S631 PolarHBondContact O-N 3.18Å; E627-W653 HydrophobicContact CG-CZ3 4.34Å; E627-K657 WeakPolarHBondContact OE1-CB 3.46Å; E627-K657 VanDerWaalsContact OE1-CD 3.24Å; E627-K657 WeakPolarHBondContact OE1-CD 3.35Å; E627-K657 WeakPolarHBondContact OE1-CG 3.4Å |
| 628 | T | 66.6 | Low | 64 | Low | 69 Ų | 69 | 58 Ų | 58 | 42% | 0.423 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 174.3 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | E624 L625 L630 S631 I632 | E624-T628 PolarHBondContact O-N 3.45Å; L625-T628 PolarHBondContact O-N 2.67Å; L625-T628 PolarHBondContact O-OG1 2.94Å; T628-L630 VanDerWaalsContact C-N 3.3Å; T628-L630 PolarHBondContact O-N 3.48Å; T628-S631 PolarHBondContact O-N 3.23Å; T628-S631 PolarHBondContact O-OG 2.86Å; T628-I632 WeakPolarHBondContact O-CB 3.47Å; T628-I632 WeakPolarHBondContact O-CD1 3.13Å; T628-I632 VanDerWaalsContact O-CG1 3.23Å; T628-I632 WeakPolarHBondContact O-CG1 3.29Å; T628-I632 PolarHBondContact O-N 2.87Å |
| 629 | L | 72 | Confident | 66.1 | Low | 13 Ų | 13 | 51.8 Ų | 51.8 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 173 | -72.4 | 173.5 | 0 | 0 | 0 | 112.1 | M600 C603 L625 N626 A633 V646 | M600-L629 HydrophobicContact CB-CD2 4.26Å; M600-L629 HydrophobicContact CE-CB 3.84Å; M600-L629 HydrophobicContact CE-CD2 3.68Å; M600-L629 HydrophobicContact CE-CG 4.29Å; M600-L629 HydrophobicContact SD-CD2 3.65Å; C603-L629 HydrophobicContact CB-CD1 3.99Å; C603-L629 HydrophobicContact CB-CD2 4.39Å; C603-L629 VanDerWaalsContact SG-CD2 3.57Å; L625-L629 WeakPolarHBondContact O-CG 3.4Å; L625-L629 PolarHBondContact O-N 3.09Å; N626-L629 PolarHBondContact O-N 2.82Å; L629-A633 WeakPolarHBondContact O-CB 3.3Å; L629-A633 PolarHBondContact O-N 2.91Å; L629-V646 HydrophobicContact CB-CG2 4.05Å |
| 630 | L | 78.2 | Confident | 67.8 | Low | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.1 | -43.5 | 175 | -178.7 | 58.7 | 0 | 0 | 0 | 112 | N626 E627 T628 A633 I634 V646 F647 W653 L658 H661 F677 | N626-L630 WeakPolarHBondContact O-CB 3.49Å; N626-L630 PolarHBondContact O-N 3.26Å; E627-L630 WeakPolarHBondContact O-CB 3.46Å; E627-L630 PolarHBondContact O-N 2.89Å; T628-L630 VanDerWaalsContact C-N 3.3Å; T628-L630 PolarHBondContact O-N 3.48Å; L630-A633 PolarHBondContact O-N 3.1Å; L630-I634 HydrophobicContact CD1-CD1 3.99Å; L630-I634 HydrophobicContact CD1-CG1 4.29Å; L630-I634 HydrophobicContact CG-CD1 3.94Å; L630-I634 WeakPolarHBondContact O-CB 3.46Å; L630-I634 VanDerWaalsContact O-CG1 3.27Å; L630-I634 WeakPolarHBondContact O-CG1 3.48Å; L630-I634 PolarHBondContact O-N 2.78Å; L630-V646 HydrophobicContact CB-CG1 3.91Å; L630-V646 HydrophobicContact CD1-CG1 4.13Å; L630-F647 HydrophobicContact CD1-CE2 4.19Å; L630-F647 HydrophobicContact CD1-CZ 4.24Å; L630-W653 HydrophobicContact CB-CH2 4.38Å; L630-W653 HydrophobicContact CD2-CH2 4.21Å; L630-W653 HydrophobicContact CD2-CZ3 4.39Å; L630-L658 HydrophobicContact CD2-CD2 3.55Å; L630-H661 HydrophobicContact CD2-CB 4.23Å; L630-F677 HydrophobicContact CD1-CE1 3.84Å; L630-F677 HydrophobicContact CD1-CZ 3.9Å; L630-F677 HydrophobicContact CD2-CZ 4.01Å; L630-F677 HydrophobicContact CG-CZ 4.44Å |
| 631 | S | 74.8 | Confident | 69.2 | Low | 19 Ų | 19 | 39.8 Ų | 39.8 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.6 | -37.7 | 178.6 | 73.2 | 0 | 0 | 0 | 0 | 111.7 | E627 T628 I634 A635 | E627-S631 PolarHBondContact O-N 3.18Å; T628-S631 PolarHBondContact O-N 3.23Å; T628-S631 PolarHBondContact O-OG 2.86Å; S631-I634 PolarHBondContact O-N 2.89Å; S631-A635 VanDerWaalsContact O-CB 3.29Å; S631-A635 WeakPolarHBondContact O-CB 3.49Å; S631-A635 PolarHBondContact O-N 3.31Å |
| 632 | I | 72.5 | Confident | 70.5 | Confident | 18 Ų | 18 | 33.8 Ų | 33.8 | 9% | 0.092 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 170.5 | -69.5 | 166.1 | 0 | 0 | 0 | 110.9 | Q471 I599 M600 T628 I634 A635 L636 | Q471-I632 HydrophobicContact CG-CG2 3.99Å; I599-I632 HydrophobicContact CG2-CG2 3.75Å; M600-I632 HydrophobicContact SD-CG2 4.22Å; T628-I632 WeakPolarHBondContact O-CB 3.47Å; T628-I632 WeakPolarHBondContact O-CD1 3.13Å; T628-I632 VanDerWaalsContact O-CG1 3.23Å; T628-I632 WeakPolarHBondContact O-CG1 3.29Å; T628-I632 PolarHBondContact O-N 2.87Å; I632-I634 VanDerWaalsContact C-N 3.31Å; I632-I634 PolarHBondContact O-N 3.35Å; I632-A635 PolarHBondContact O-N 3.4Å; I632-L636 HydrophobicContact CG2-CD1 3.86Å; I632-L636 HydrophobicContact CG2-CG 4.38Å; I632-L636 WeakPolarHBondContact O-CB 3.46Å; I632-L636 WeakPolarHBondContact O-CG 3.26Å; I632-L636 PolarHBondContact O-N 2.94Å |
| 633 | A | 78.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.5 | -42.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L629 L630 L636 N637 R638 A642 F673 | L629-A633 WeakPolarHBondContact O-CB 3.3Å; L629-A633 PolarHBondContact O-N 2.91Å; L630-A633 PolarHBondContact O-N 3.1Å; A633-L636 PolarHBondContact O-N 2.92Å; A633-N637 PolarHBondContact O-N 2.83Å; A633-N637 VanDerWaalsContact O-N 3.09Å; A633-R638 PolarHBondContact O-N 3.3Å; A633-R638 VanDerWaalsContact O-N 3.15Å; A633-A642 HydrophobicContact CB-CB 4.04Å; A633-F673 HydrophobicContact CB-CE1 4.33Å; A633-F673 VanDerWaalsContact O-CZ 3.23Å; A633-F673 WeakPolarHBondContact O-CZ 3.47Å |
| 634 | I | 76.8 | Confident | 72.5 | Confident | 13 Ų | 13 | 35.6 Ų | 35.6 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 176.1 | -68.3 | 170.2 | 0 | 0 | 0 | 111.6 | L465 L630 S631 I632 N637 H661 L665 K670 F673 F677 | L465-I634 HydrophobicContact CD2-CG2 4.46Å; L630-I634 HydrophobicContact CD1-CD1 3.99Å; L630-I634 HydrophobicContact CD1-CG1 4.29Å; L630-I634 HydrophobicContact CG-CD1 3.94Å; L630-I634 WeakPolarHBondContact O-CB 3.46Å; L630-I634 VanDerWaalsContact O-CG1 3.27Å; L630-I634 WeakPolarHBondContact O-CG1 3.48Å; L630-I634 PolarHBondContact O-N 2.78Å; S631-I634 PolarHBondContact O-N 2.89Å; I632-I634 VanDerWaalsContact C-N 3.31Å; I632-I634 PolarHBondContact O-N 3.35Å; I634-N637 PolarHBondContact O-N 2.81Å; I634-N637 VanDerWaalsContact O-N 3.16Å; I634-H661 HydrophobicContact CD1-CB 4.3Å; I634-L665 HydrophobicContact CD1-CD1 4.22Å; I634-L665 HydrophobicContact CD1-CD2 4.14Å; I634-L665 HydrophobicContact CD1-CG 4.28Å; I634-L665 HydrophobicContact CG1-CD2 4.12Å; I634-L665 HydrophobicContact CG2-CD2 3.98Å; I634-K670 HydrophobicContact CG2-CD 4.46Å; I634-K670 PolarHBondContact O-NZ 3.27Å; I634-F673 HydrophobicContact CB-CE1 4.47Å; I634-F673 HydrophobicContact CG1-CD1 3.79Å; I634-F673 HydrophobicContact CG1-CE1 3.76Å; I634-F673 HydrophobicContact CG1-CG 4.44Å; I634-F673 HydrophobicContact CG1-CZ 4.4Å; I634-F677 HydrophobicContact CD1-CZ 4.43Å |
| 635 | A | 70.4 | Confident | 72.7 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A468 S631 I632 N637 | A468-A635 HydrophobicContact CB-CB 4.41Å; S631-A635 VanDerWaalsContact O-CB 3.29Å; S631-A635 WeakPolarHBondContact O-CB 3.49Å; S631-A635 PolarHBondContact O-N 3.31Å; I632-A635 PolarHBondContact O-N 3.4Å; A635-N637 PolarHBondContact O-N 3.05Å |
| 636 | L | 72.1 | Confident | 73.3 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -7.5 | 174.5 | -64.6 | 175.4 | 0 | 0 | 0 | 113.8 | L314 T343 L596 I599 I632 A633 R638 I641 | L314-L636 HydrophobicContact CB-CD2 4.18Å; L314-L636 HydrophobicContact CD1-CD2 4.3Å; L314-L636 HydrophobicContact CD2-CD2 4.38Å; T343-L636 HydrophobicContact CG2-CB 4.32Å; T343-L636 HydrophobicContact CG2-CD2 4.17Å; T343-L636 WeakPolarHBondContact CG2-O 3.37Å; L596-L636 HydrophobicContact CD2-CD1 3.96Å; I599-L636 HydrophobicContact CD1-CD1 4.39Å; I599-L636 HydrophobicContact CG2-CD1 4.38Å; I632-L636 HydrophobicContact CG2-CD1 3.86Å; I632-L636 HydrophobicContact CG2-CG 4.38Å; I632-L636 WeakPolarHBondContact O-CB 3.46Å; I632-L636 WeakPolarHBondContact O-CG 3.26Å; I632-L636 PolarHBondContact O-N 2.94Å; A633-L636 PolarHBondContact O-N 2.92Å; L636-R638 HydrophobicContact CB-CB 4.43Å; L636-R638 HydrophobicContact CB-CG 4.24Å; L636-R638 WeakPolarHBondContact O-CG 3.34Å; L636-R638 PolarHBondContact O-N 3.41Å; L636-R638 VanDerWaalsContact O-N 3.16Å; L636-I641 HydrophobicContact CD1-CD1 4.48Å |
| 637 | N | 74.6 | Confident | 73.7 | Confident | 62 Ų | 62 | 28.4 Ų | 28.4 | 33% | 0.332 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 24.2 | -175.7 | -160.6 | 34.5 | 0 | 0 | 0 | 114.4 | A633 I634 A635 K670 | A633-N637 PolarHBondContact O-N 2.83Å; A633-N637 VanDerWaalsContact O-N 3.09Å; I634-N637 PolarHBondContact O-N 2.81Å; I634-N637 VanDerWaalsContact O-N 3.16Å; A635-N637 PolarHBondContact O-N 3.05Å; N637-K670 WeakPolarHBondContact OD1-CE 3.4Å |
| 638 | R | 75.6 | Confident | 73.7 | Confident | 44 Ų | 44 | 31 Ų | 31 | 17% | 0.166 | 16% | 0.158 | C | C | . | . | trans | -103.8 | 94.4 | -177.5 | -69.3 | -58 | -71 | -105 | -1.7 | 113 | D592 L596 A633 L636 D640 I641 F673 | D592-R638 VanDerWaalsContact CG-NH1 3.27Å; D592-R638 IonicContact OD1-CZ 2.94Å; D592-R638 IonicContact OD1-NH1 2.74Å; D592-R638 PolarHBondContact OD1-NH1 3.4Å; D592-R638 VanDerWaalsContact OD1-NH1 3.07Å; D592-R638 IonicContact OD2-CZ 3.31Å; D592-R638 IonicContact OD2-NH1 3.39Å; D592-R638 PolarHBondContact OD2-NH1 3.29Å; D592-R638 IonicContact OD2-NH2 3.7Å; D592-R638 PolarHBondContact OD2-NH2 3.32Å; L596-R638 HydrophobicContact CD1-CG 4.24Å; L596-R638 VanDerWaalsContact CD1-CZ 3.41Å; A633-R638 PolarHBondContact O-N 3.3Å; A633-R638 VanDerWaalsContact O-N 3.15Å; L636-R638 HydrophobicContact CB-CB 4.43Å; L636-R638 HydrophobicContact CB-CG 4.24Å; L636-R638 WeakPolarHBondContact O-CG 3.34Å; L636-R638 PolarHBondContact O-N 3.41Å; L636-R638 VanDerWaalsContact O-N 3.16Å; R638-D640 WeakPolarHBondContact CA-OD1 3.45Å; R638-D640 VanDerWaalsContact CB-OD1 3.29Å; R638-D640 WeakPolarHBondContact CB-OD1 3.43Å; R638-D640 IonicContact CZ-OD1 3.41Å; R638-D640 IonicContact CZ-OD2 3.37Å; R638-D640 IonicContact NE-OD1 3.15Å; R638-D640 PolarHBondContact NE-OD1 3.35Å; R638-D640 IonicContact NE-OD2 3.37Å; R638-D640 PolarHBondContact NE-OD2 2.86Å; R638-D640 VanDerWaalsContact NE-OD2 3.13Å; R638-D640 IonicContact NH2-OD2 2.78Å; R638-D640 PolarHBondContact NH2-OD2 2.85Å; R638-I641 HydrophobicContact CB-CB 4.48Å; R638-I641 HydrophobicContact CB-CD1 3.3Å; R638-I641 HydrophobicContact CB-CG1 3.69Å; R638-I641 HydrophobicContact CG-CD1 3.91Å; R638-F673 WeakPolarHBondContact O-CZ 3.35Å | ||
| 639 | S | 78.9 | Confident | 73.4 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -74.6 | -25.9 | -177.3 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | A642 R643 Q672 | S639-A642 PolarHBondContact O-N 2.84Å; S639-R643 PolarHBondContact O-N 2.98Å; S639-Q672 WeakPolarHBondContact OG-CB 3.25Å; S639-Q672 PolarHBondContact OG-OE1 3.45Å |
| 640 | D | 75.2 | Confident | 72.9 | Confident | 54 Ų | 54 | 40 Ų | 40 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.4 | -54 | 169.2 | 52.6 | -34.6 | 0 | 0 | 0 | 111.8 | R638 A642 R643 D644 | R638-D640 WeakPolarHBondContact CA-OD1 3.45Å; R638-D640 VanDerWaalsContact CB-OD1 3.29Å; R638-D640 WeakPolarHBondContact CB-OD1 3.43Å; R638-D640 IonicContact CZ-OD1 3.41Å; R638-D640 IonicContact CZ-OD2 3.37Å; R638-D640 IonicContact NE-OD1 3.15Å; R638-D640 PolarHBondContact NE-OD1 3.35Å; R638-D640 IonicContact NE-OD2 3.37Å; R638-D640 PolarHBondContact NE-OD2 2.86Å; R638-D640 VanDerWaalsContact NE-OD2 3.13Å; R638-D640 IonicContact NH2-OD2 2.78Å; R638-D640 PolarHBondContact NH2-OD2 2.85Å; D640-A642 VanDerWaalsContact C-N 3.27Å; D640-A642 PolarHBondContact O-N 2.94Å; D640-R643 WeakPolarHBondContact O-CB 3.36Å; D640-R643 PolarHBondContact O-N 2.52Å; D640-R643 VanDerWaalsContact O-N 3.08Å; D640-D644 PolarHBondContact O-N 3.3Å |
| 641 | I | 70.5 | Confident | 72.4 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.5 | -40.9 | 178.2 | -46.7 | 166.8 | 0 | 0 | 0 | 111.2 | L596 M600 L636 R638 R643 D644 K645 | L596-I641 HydrophobicContact CB-CD1 3.7Å; L596-I641 HydrophobicContact CB-CG1 4Å; L596-I641 HydrophobicContact CD1-CD1 3.66Å; L596-I641 HydrophobicContact CD1-CG1 3.91Å; L596-I641 HydrophobicContact CD2-CD1 3.48Å; L596-I641 VanDerWaalsContact CD2-CD1 3.48Å; L596-I641 HydrophobicContact CG-CD1 3.75Å; L596-I641 HydrophobicContact CG-CG1 4.34Å; M600-I641 HydrophobicContact CE-CG2 3.77Å; M600-I641 HydrophobicContact CG-CG2 3.72Å; M600-I641 HydrophobicContact SD-CG2 4.09Å; L636-I641 HydrophobicContact CD1-CD1 4.48Å; R638-I641 HydrophobicContact CB-CB 4.48Å; R638-I641 HydrophobicContact CB-CD1 3.3Å; R638-I641 HydrophobicContact CB-CG1 3.69Å; R638-I641 HydrophobicContact CG-CD1 3.91Å; I641-R643 VanDerWaalsContact C-N 3.34Å; I641-R643 PolarHBondContact O-N 2.75Å; I641-D644 PolarHBondContact O-N 3.2Å; I641-K645 HydrophobicContact CG2-CB 4.33Å; I641-K645 HydrophobicContact CG2-CD 4Å; I641-K645 HydrophobicContact CG2-CG 4.23Å; I641-K645 WeakPolarHBondContact O-CB 3.05Å; I641-K645 PolarHBondContact O-N 2.86Å |
| 642 | A | 76.2 | Confident | 72 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -61.3 | -45 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A633 S639 D640 D644 V646 F647 F673 | A633-A642 HydrophobicContact CB-CB 4.04Å; S639-A642 PolarHBondContact O-N 2.84Å; D640-A642 VanDerWaalsContact C-N 3.27Å; D640-A642 PolarHBondContact O-N 2.94Å; A642-D644 VanDerWaalsContact C-N 3.27Å; A642-D644 PolarHBondContact O-N 2.65Å; A642-V646 WeakPolarHBondContact O-CB 3.29Å; A642-V646 PolarHBondContact O-N 3.19Å; A642-F647 HydrophobicContact CB-CD2 4.44Å; A642-F647 HydrophobicContact CB-CE2 4.39Å; A642-F647 VanDerWaalsContact O-CD2 3.26Å; A642-F647 WeakPolarHBondContact O-CD2 3.36Å; A642-F647 PolarHBondContact O-N 2.79Å; A642-F673 HydrophobicContact CB-CD1 4.35Å; A642-F673 HydrophobicContact CB-CE1 4Å |
| 643 | R | 77.7 | Confident | 72 | Confident | 78 Ų | 78 | 52.7 Ų | 52.7 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -59.6 | -37.6 | 177.5 | -170.3 | -176.1 | -75.5 | 110.3 | -7 | 112.3 | S639 D640 I641 V676 E679 K680 | S639-R643 PolarHBondContact O-N 2.98Å; D640-R643 WeakPolarHBondContact O-CB 3.36Å; D640-R643 PolarHBondContact O-N 2.52Å; D640-R643 VanDerWaalsContact O-N 3.08Å; I641-R643 VanDerWaalsContact C-N 3.34Å; I641-R643 PolarHBondContact O-N 2.75Å; R643-V676 HydrophobicContact CB-CG1 4Å; R643-V676 HydrophobicContact CB-CG2 4.25Å; R643-E679 IonicContact CZ-OE2 3.39Å; R643-E679 VanDerWaalsContact CZ-OE2 3.27Å; R643-E679 IonicContact NE-OE2 2.68Å; R643-E679 PolarHBondContact NE-OE2 3.17Å; R643-E679 IonicContact NH2-OE1 2.71Å; R643-E679 PolarHBondContact NH2-OE1 3.33Å; R643-E679 IonicContact NH2-OE2 2.74Å; R643-E679 PolarHBondContact NH2-OE2 2.59Å; R643-K680 VanDerWaalsContact O-CE 3.24Å; R643-K680 WeakPolarHBondContact O-CE 3.04Å; R643-K680 PolarHBondContact O-NZ 3.14Å |
| 644 | D | 71.7 | Confident | 71.7 | Confident | 100 Ų | 100 | 56.9 Ų | 56.9 | 54% | 0.535 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -97.2 | -30.8 | -168.6 | -64.9 | -4 | 0 | 0 | 0 | 114.5 | D640 I641 A642 | D640-D644 PolarHBondContact O-N 3.3Å; I641-D644 PolarHBondContact O-N 3.2Å; A642-D644 VanDerWaalsContact C-N 3.27Å; A642-D644 PolarHBondContact O-N 2.65Å |
| 645 | K | 66.7 | Low | 71.7 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 16% | 0.161 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -116.7 | -27.1 | -174.4 | -57.6 | -168 | -176.3 | 104.2 | 0 | 114.7 | L596 M600 I641 | L596-K645 VanDerWaalsContact C-NZ 3.3Å; L596-K645 PolarHBondContact O-NZ 2.71Å; M600-K645 HydrophobicContact CB-CD 3.61Å; M600-K645 HydrophobicContact CE-CB 4.13Å; M600-K645 HydrophobicContact CG-CD 3.95Å; I641-K645 HydrophobicContact CG2-CB 4.33Å; I641-K645 HydrophobicContact CG2-CD 4Å; I641-K645 HydrophobicContact CG2-CG 4.23Å; I641-K645 WeakPolarHBondContact O-CB 3.05Å; I641-K645 PolarHBondContact O-N 2.86Å |
| 646 | V | 71.4 | Confident | 71.9 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -94.6 | -41.1 | -178.5 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | M600 L629 L630 A642 M648 W653 | M600-V646 HydrophobicContact CE-CG2 3.52Å; L629-V646 HydrophobicContact CB-CG2 4.05Å; L630-V646 HydrophobicContact CB-CG1 3.91Å; L630-V646 HydrophobicContact CD1-CG1 4.13Å; A642-V646 WeakPolarHBondContact O-CB 3.29Å; A642-V646 PolarHBondContact O-N 3.19Å; V646-M648 PolarHBondContact O-N 3.05Å; V646-W653 HydrophobicContact CG1-CH2 4.08Å; V646-W653 HydrophobicContact CG1-CZ2 3.46Å; V646-W653 VanDerWaalsContact CG1-CZ2 3.46Å; V646-W653 PolarHBondContact O-NE1 2.65Å |
| 647 | F | 76.3 | Confident | 72.1 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -101 | 52.2 | 177.6 | -61.8 | -69.5 | 0 | 0 | 0 | 112.2 | L630 A642 W653 L658 V676 F677 K680 | L630-F647 HydrophobicContact CD1-CE2 4.19Å; L630-F647 HydrophobicContact CD1-CZ 4.24Å; A642-F647 HydrophobicContact CB-CD2 4.44Å; A642-F647 HydrophobicContact CB-CE2 4.39Å; A642-F647 VanDerWaalsContact O-CD2 3.26Å; A642-F647 WeakPolarHBondContact O-CD2 3.36Å; A642-F647 PolarHBondContact O-N 2.79Å; F647-W653 AromaticContact CD1-CD1 3.6Å; F647-W653 HydrophobicContact CD1-CG 4.28Å; F647-W653 AromaticContact CD1-NE1 3.41Å; F647-W653 AromaticContact CE1-CD1 3.82Å; F647-W653 HydrophobicContact CE1-CD2 4.08Å; F647-W653 AromaticContact CE1-CE2 3.81Å; F647-W653 HydrophobicContact CE1-CG 4.05Å; F647-W653 HydrophobicContact CE1-CZ2 4.37Å; F647-W653 AromaticContact CE1-NE1 3.67Å; F647-L658 HydrophobicContact CE1-CD1 4.09Å; F647-L658 HydrophobicContact CE1-CD2 4.18Å; F647-L658 HydrophobicContact CZ-CD2 4.12Å; F647-V676 HydrophobicContact CD2-CG1 3.73Å; F647-V676 HydrophobicContact CE2-CG1 4Å; F647-F677 AromaticContact CE2-CD1 3.84Å; F647-F677 HydrophobicContact CE2-CD1 3.84Å; F647-F677 AromaticContact CE2-CE1 3.79Å; F647-F677 HydrophobicContact CE2-CE1 3.79Å; F647-F677 AromaticContact CZ-CD1 3.82Å; F647-F677 HydrophobicContact CZ-CD1 3.82Å; F647-F677 AromaticContact CZ-CE1 3.73Å; F647-F677 HydrophobicContact CZ-CE1 3.73Å; F647-F677 HydrophobicContact CZ-CZ 4.36Å; F647-K680 HydrophobicContact CB-CB 4.14Å; F647-K680 HydrophobicContact CB-CD 3.63Å; F647-K680 HydrophobicContact CB-CG 3.59Å; F647-K680 HydrophobicContact CD1-CB 4.2Å; F647-K680 HydrophobicContact CD1-CG 4.48Å; F647-K680 HydrophobicContact CD2-CG 4.28Å; F647-K680 HydrophobicContact CG-CB 4.11Å; F647-K680 HydrophobicContact CG-CD 4.47Å; F647-K680 HydrophobicContact CG-CG 3.89Å; F647-K680 PolarHBondContact O-NZ 2.83Å |
| 648 | M | 70.8 | Confident | 72.5 | Confident | 107 Ų | 107 | 61 Ų | 61 | 53% | 0.527 | 32% | 0.319 | S | S | . | . | trans | -56 | 146 | 174.3 | -66.6 | -68.9 | -68 | 0 | 0 | 111.9 | V646 G650 V651 | V646-M648 PolarHBondContact O-N 3.05Å; M648-G650 PolarHBondContact O-N 3.34Å; M648-V651 HydrophobicContact CB-CG2 4Å; M648-V651 PolarHBondContact O-N 3.08Å | ||
| 649 | E | 60.7 | Low | 72.8 | Confident | 190 Ų | 190 | 59.9 Ų | 59.9 | 89% | 0.888 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 129.6 | 174.8 | -62.4 | -167.5 | 164.7 | 0 | 0 | 111.1 | ||
| 650 | G | 62.3 | Low | 72.7 | Confident | 80 Ų | 80 | 66 Ų | 66 | 83% | 0.825 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.9 | -21.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | M648 K652 | M648-G650 PolarHBondContact O-N 3.34Å; G650-K652 PolarHBondContact O-N 3.29Å |
| 651 | V | 67.4 | Low | 73 | Confident | 66 Ų | 66 | 63.9 Ų | 63.9 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | trans | -77.1 | 111.2 | 176.8 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | M648 W653 | M648-V651 HydrophobicContact CB-CG2 4Å; M648-V651 PolarHBondContact O-N 3.08Å; V651-W653 PolarHBondContact O-N 3.02Å | ||
| 652 | K | 65.3 | Low | 73.7 | Confident | 201 Ų | 201 | 63.7 Ų | 63.7 | 87% | 0.874 | 33% | 0.329 | S | S | * | . | trans | -87 | 104.4 | 174.4 | -71.4 | -174.7 | -179.5 | 177.4 | 0 | 110.6 | G650 | G650-K652 PolarHBondContact O-N 3.29Š| ||
| 653 | W | 73.7 | Confident | 74 | Confident | 38 Ų | 38 | 65 Ų | 65 | 14% | 0.144 | 34% | 0.336 | C | S | . | . | trans | -72.2 | 133.7 | 170.7 | -76.6 | 82.9 | 0 | 0 | 0 | 111.8 | N626 E627 L630 V646 F647 V651 N655 L658 | N626-W653 HydrophobicContact CB-CH2 3.53Å; N626-W653 HydrophobicContact CB-CZ2 3.6Å; N626-W653 HydrophobicContact CB-CZ3 4.38Å; N626-W653 WeakPolarHBondContact O-CH2 3.33Å; E627-W653 HydrophobicContact CG-CZ3 4.34Å; L630-W653 HydrophobicContact CB-CH2 4.38Å; L630-W653 HydrophobicContact CD2-CH2 4.21Å; L630-W653 HydrophobicContact CD2-CZ3 4.39Å; V646-W653 HydrophobicContact CG1-CH2 4.08Å; V646-W653 HydrophobicContact CG1-CZ2 3.46Å; V646-W653 VanDerWaalsContact CG1-CZ2 3.46Å; V646-W653 PolarHBondContact O-NE1 2.65Å; F647-W653 AromaticContact CD1-CD1 3.6Å; F647-W653 HydrophobicContact CD1-CG 4.28Å; F647-W653 AromaticContact CD1-NE1 3.41Å; F647-W653 AromaticContact CE1-CD1 3.82Å; F647-W653 HydrophobicContact CE1-CD2 4.08Å; F647-W653 AromaticContact CE1-CE2 3.81Å; F647-W653 HydrophobicContact CE1-CG 4.05Å; F647-W653 HydrophobicContact CE1-CZ2 4.37Å; F647-W653 AromaticContact CE1-NE1 3.67Å; V651-W653 PolarHBondContact O-N 3.02Å; W653-N655 PolarHBondContact O-N 2.83Å; W653-L658 HydrophobicContact CB-CD1 3.76Å; W653-L658 HydrophobicContact CB-CG 4.38Å; W653-L658 HydrophobicContact CD2-CD1 4.32Å; W653-L658 HydrophobicContact CD2-CD2 4.12Å; W653-L658 HydrophobicContact CD2-CG 4.35Å; W653-L658 HydrophobicContact CE3-CD1 4.31Å; W653-L658 HydrophobicContact CE3-CD2 3.59Å; W653-L658 HydrophobicContact CE3-CG 3.85Å; W653-L658 HydrophobicContact CG-CD1 4.13Å; W653-L658 HydrophobicContact CH2-CD2 4.49Å; W653-L658 HydrophobicContact CZ3-CD2 3.8Å; W653-L658 HydrophobicContact CZ3-CG 4.49Å | ||
| 654 | D | 72.5 | Confident | 74 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 47% | 0.465 | 33% | 0.332 | S | S | . | . | trans | -71.8 | 122.9 | 162.2 | -177 | 5.4 | 0 | 0 | 0 | 109.2 | S656 K657 | D654-S656 PolarHBondContact O-N 3.5Å; D654-S656 VanDerWaalsContact O-N 3.12Å; D654-S656 PolarHBondContact OD1-N 3.42Å; D654-S656 WeakPolarHBondContact OD2-CB 3.45Å; D654-S656 PolarHBondContact OD2-OG 2.98Å; D654-K657 PolarHBondContact O-N 3.28Å | ||
| 655 | N | 75.6 | Confident | 74.6 | Confident | 46 Ų | 46 | 57.8 Ų | 57.8 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -53.8 | -32.6 | 175.8 | -72.8 | -64.7 | 0 | 0 | 0 | 111.5 | W653 K657 L658 V659 | W653-N655 PolarHBondContact O-N 2.83Å; N655-K657 VanDerWaalsContact C-N 3.26Å; N655-K657 PolarHBondContact O-N 2.72Å; N655-L658 PolarHBondContact O-N 2.9Å; N655-V659 WeakPolarHBondContact O-CG2 3.24Å; N655-V659 PolarHBondContact O-N 2.83Å |
| 656 | S | 75.8 | Confident | 75.5 | Confident | 68 Ų | 68 | 56 Ų | 56 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.5 | -37.4 | -178.6 | 81.9 | 0 | 0 | 0 | 0 | 113.2 | D654 V659 | D654-S656 PolarHBondContact O-N 3.5Å; D654-S656 VanDerWaalsContact O-N 3.12Å; D654-S656 PolarHBondContact OD1-N 3.42Å; D654-S656 WeakPolarHBondContact OD2-CB 3.45Å; D654-S656 PolarHBondContact OD2-OG 2.98Å; S656-V659 WeakPolarHBondContact O-CB 3.42Å |
| 657 | K | 76.3 | Confident | 76 | Confident | 54 Ų | 54 | 58.5 Ų | 58.5 | 24% | 0.235 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -77 | -37.2 | -179.6 | -65.9 | 177.5 | 169.6 | -159.6 | 0 | 111.9 | D623 E627 D654 N655 V659 H661 | D623-K657 HydrophobicContact CB-CD 4.11Å; D623-K657 VanDerWaalsContact CG-NZ 3.28Å; D623-K657 IonicContact OD2-NZ 4Å; D623-K657 PolarHBondContact OD2-NZ 3Å; E627-K657 WeakPolarHBondContact OE1-CB 3.46Å; E627-K657 VanDerWaalsContact OE1-CD 3.24Å; E627-K657 WeakPolarHBondContact OE1-CD 3.35Å; E627-K657 WeakPolarHBondContact OE1-CG 3.4Å; D654-K657 PolarHBondContact O-N 3.28Å; N655-K657 VanDerWaalsContact C-N 3.26Å; N655-K657 PolarHBondContact O-N 2.72Å; K657-V659 VanDerWaalsContact C-N 3.35Å; K657-V659 PolarHBondContact O-N 2.85Å; K657-H661 PolarHBondContact O-ND1 2.79Å |
| 658 | L | 82.4 | Confident | 75.9 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.7 | -23.7 | 175.3 | -65.5 | 178.7 | 0 | 0 | 0 | 113.3 | L630 F647 W653 N655 K660 H661 M662 F677 F682 | L630-L658 HydrophobicContact CD2-CD2 3.55Å; F647-L658 HydrophobicContact CE1-CD1 4.09Å; F647-L658 HydrophobicContact CE1-CD2 4.18Å; F647-L658 HydrophobicContact CZ-CD2 4.12Å; W653-L658 HydrophobicContact CB-CD1 3.76Å; W653-L658 HydrophobicContact CB-CG 4.38Å; W653-L658 HydrophobicContact CD2-CD1 4.32Å; W653-L658 HydrophobicContact CD2-CD2 4.12Å; W653-L658 HydrophobicContact CD2-CG 4.35Å; W653-L658 HydrophobicContact CE3-CD1 4.31Å; W653-L658 HydrophobicContact CE3-CD2 3.59Å; W653-L658 HydrophobicContact CE3-CG 3.85Å; W653-L658 HydrophobicContact CG-CD1 4.13Å; W653-L658 HydrophobicContact CH2-CD2 4.49Å; W653-L658 HydrophobicContact CZ3-CD2 3.8Å; W653-L658 HydrophobicContact CZ3-CG 4.49Å; N655-L658 PolarHBondContact O-N 2.9Å; L658-K660 VanDerWaalsContact C-N 3.29Å; L658-K660 PolarHBondContact O-N 3.34Å; L658-H661 PolarHBondContact O-N 2.89Å; L658-M662 WeakPolarHBondContact O-CB 3.48Å; L658-M662 PolarHBondContact O-N 3.04Å; L658-F677 HydrophobicContact CD2-CE2 4.25Å; L658-F677 HydrophobicContact CD2-CZ 4.4Å; L658-F682 HydrophobicContact CB-CD2 3.84Å; L658-F682 HydrophobicContact CB-CE2 3.66Å; L658-F682 HydrophobicContact CD1-CD2 4.07Å |
| 659 | V | 80.7 | Confident | 76.3 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -51.7 | -47.2 | 175.9 | 171 | 0 | 0 | 0 | 0 | 111.9 | N655 S656 K657 H661 M662 N663 Y687 | N655-V659 WeakPolarHBondContact O-CG2 3.24Å; N655-V659 PolarHBondContact O-N 2.83Å; S656-V659 WeakPolarHBondContact O-CB 3.42Å; K657-V659 VanDerWaalsContact C-N 3.35Å; K657-V659 PolarHBondContact O-N 2.85Å; V659-H661 PolarHBondContact O-N 3.13Å; V659-M662 PolarHBondContact O-N 3.15Å; V659-N663 PolarHBondContact O-N 3.22Å; V659-Y687 HydrophobicContact CG1-CD2 4.27Å; V659-Y687 HydrophobicContact CG1-CE2 4.15Å; V659-Y687 HydrophobicContact CG2-CD2 4.23Å |
| 660 | K | 78.4 | Confident | 77.3 | Confident | 137 Ų | 137 | 51.2 Ų | 51.2 | 60% | 0.596 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -55.8 | -53.1 | -179.6 | -79.2 | -171.6 | 179.8 | -177.3 | 0 | 110.4 | I464 L658 M662 N663 A664 | I464-K660 HydrophobicContact CD1-CB 3.67Å; I464-K660 WeakPolarHBondContact CD1-O 3.38Å; L658-K660 VanDerWaalsContact C-N 3.29Å; L658-K660 PolarHBondContact O-N 3.34Å; K660-M662 PolarHBondContact O-N 3.32Å; K660-N663 PolarHBondContact O-N 3.36Å; K660-A664 PolarHBondContact O-N 3.34Å |
| 661 | H | 81.2 | Confident | 78.4 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 178.1 | -62.5 | 92.1 | 0 | 0 | 0 | 112.1 | L630 I634 K657 L658 V659 N663 A664 L665 F677 | L630-H661 HydrophobicContact CD2-CB 4.23Å; I634-H661 HydrophobicContact CD1-CB 4.3Å; K657-H661 PolarHBondContact O-ND1 2.79Å; L658-H661 PolarHBondContact O-N 2.89Å; V659-H661 PolarHBondContact O-N 3.13Å; H661-N663 PolarHBondContact O-N 3.42Å; H661-A664 PolarHBondContact O-N 2.94Å; H661-L665 WeakPolarHBondContact O-CB 3.36Å; H661-L665 VanDerWaalsContact O-CG 3.27Å; H661-L665 WeakPolarHBondContact O-CG 3.26Å; H661-L665 PolarHBondContact O-N 3.14Å; H661-F677 HydrophobicContact CB-CE2 3.94Å; H661-F677 HydrophobicContact CB-CZ 4.05Å |
| 662 | M | 85.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 177.8 | -173.7 | 70.8 | 174.6 | 0 | 0 | 112.5 | L658 V659 K660 L665 L666 I674 F677 F682 L684 Y687 | L658-M662 WeakPolarHBondContact O-CB 3.48Å; L658-M662 PolarHBondContact O-N 3.04Å; V659-M662 PolarHBondContact O-N 3.15Å; K660-M662 PolarHBondContact O-N 3.32Å; M662-L665 PolarHBondContact O-N 3.34Å; M662-L666 HydrophobicContact CE-CD1 4.03Å; M662-L666 HydrophobicContact CE-CD2 4.44Å; M662-L666 HydrophobicContact CE-CG 4.25Å; M662-L666 HydrophobicContact CG-CD1 3.99Å; M662-L666 WeakPolarHBondContact O-CB 3.38Å; M662-L666 WeakPolarHBondContact O-CG 3.29Å; M662-L666 PolarHBondContact O-N 3.38Å; M662-I674 HydrophobicContact CE-CG1 4.42Å; M662-I674 HydrophobicContact CE-CG2 3.84Å; M662-I674 HydrophobicContact SD-CG1 4.21Å; M662-I674 HydrophobicContact SD-CG2 4.49Å; M662-F677 HydrophobicContact SD-CD2 4.16Å; M662-F682 HydrophobicContact CB-CE1 4.09Å; M662-F682 HydrophobicContact CB-CE2 4.42Å; M662-F682 HydrophobicContact CB-CZ 3.68Å; M662-F682 HydrophobicContact CE-CD1 4.3Å; M662-F682 HydrophobicContact CE-CE1 3.93Å; M662-F682 HydrophobicContact CG-CE1 3.55Å; M662-F682 HydrophobicContact CG-CZ 3.67Å; M662-F682 HydrophobicContact SD-CD1 4.16Å; M662-F682 HydrophobicContact SD-CE1 3.73Å; M662-F682 HydrophobicContact SD-CZ 4.29Å; M662-L684 HydrophobicContact CE-CD2 3.71Å; M662-Y687 HydrophobicContact CB-CD2 4.28Å; M662-Y687 HydrophobicContact CB-CE2 3.87Å; M662-Y687 HydrophobicContact CG-CD1 4.4Å; M662-Y687 HydrophobicContact CG-CD2 4.02Å; M662-Y687 HydrophobicContact CG-CE1 4.09Å; M662-Y687 HydrophobicContact CG-CE2 3.66Å; M662-Y687 HydrophobicContact CG-CG 4.37Å |
| 663 | N | 82.5 | Confident | 80.2 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -49.6 | 174.2 | -70.8 | -12.9 | 0 | 0 | 0 | 111.1 | V659 K660 H661 L665 L666 L667 Y687 | V659-N663 PolarHBondContact O-N 3.22Å; K660-N663 PolarHBondContact O-N 3.36Å; H661-N663 PolarHBondContact O-N 3.42Å; N663-L665 PolarHBondContact O-N 3.43Å; N663-L666 PolarHBondContact O-N 3.02Å; N663-L667 WeakPolarHBondContact O-CB 3.46Å; N663-L667 WeakPolarHBondContact O-CG 3.28Å; N663-L667 PolarHBondContact O-N 3.32Å; N663-Y687 WeakPolarHBondContact OD1-CE2 3.42Å; N663-Y687 PolarHBondContact OD1-OH 3.49Å |
| 664 | A | 77.6 | Confident | 80.8 | Confident | 26 Ų | 26 | 40.1 Ų | 40.1 | 22% | 0.215 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I464 K660 H661 S668 | I464-A664 HydrophobicContact CD1-CB 4.19Å; K660-A664 PolarHBondContact O-N 3.34Å; H661-A664 PolarHBondContact O-N 2.94Å; A664-S668 VanDerWaalsContact O-CB 3.3Å; A664-S668 WeakPolarHBondContact O-CB 3.23Å; A664-S668 PolarHBondContact O-N 2.88Å; A664-S668 PolarHBondContact O-OG 3.18Å |
| 665 | L | 84.6 | Confident | 81.5 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.6 | -41.3 | 176.2 | -71 | 172.9 | 0 | 0 | 0 | 112.7 | I634 H661 M662 N663 S668 N669 K670 F673 I674 F677 | I634-L665 HydrophobicContact CD1-CD1 4.22Å; I634-L665 HydrophobicContact CD1-CD2 4.14Å; I634-L665 HydrophobicContact CD1-CG 4.28Å; I634-L665 HydrophobicContact CG1-CD2 4.12Å; I634-L665 HydrophobicContact CG2-CD2 3.98Å; H661-L665 WeakPolarHBondContact O-CB 3.36Å; H661-L665 VanDerWaalsContact O-CG 3.27Å; H661-L665 WeakPolarHBondContact O-CG 3.26Å; H661-L665 PolarHBondContact O-N 3.14Å; M662-L665 PolarHBondContact O-N 3.34Å; N663-L665 PolarHBondContact O-N 3.43Å; L665-S668 PolarHBondContact O-OG 3.36Å; L665-N669 PolarHBondContact O-N 2.84Å; L665-N669 VanDerWaalsContact O-N 3.16Å; L665-K670 HydrophobicContact CD2-CB 3.76Å; L665-K670 HydrophobicContact CD2-CD 4.01Å; L665-K670 HydrophobicContact CD2-CG 4.49Å; L665-K670 PolarHBondContact O-N 3.36Å; L665-K670 VanDerWaalsContact O-N 3.14Å; L665-F673 HydrophobicContact CD1-CB 3.62Å; L665-F673 HydrophobicContact CD1-CG 4.49Å; L665-F673 HydrophobicContact CD2-CB 3.62Å; L665-F673 HydrophobicContact CD2-CD2 4.3Å; L665-F673 HydrophobicContact CD2-CG 3.94Å; L665-F673 HydrophobicContact CG-CB 4.22Å; L665-I674 HydrophobicContact CB-CD1 4.23Å; L665-I674 HydrophobicContact CB-CG1 3.95Å; L665-F677 HydrophobicContact CD1-CD1 4.41Å; L665-F677 HydrophobicContact CD1-CD2 4.19Å; L665-F677 HydrophobicContact CD1-CE1 3.87Å; L665-F677 HydrophobicContact CD1-CE2 3.63Å; L665-F677 HydrophobicContact CD1-CZ 3.45Å; L665-F677 VanDerWaalsContact CD1-CZ 3.45Å |
| 666 | L | 84.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -47.2 | 174.1 | -77.5 | 165.7 | 0 | 0 | 0 | 110.8 | M662 N663 N669 I674 Y687 L696 W773 R779 L782 F786 | M662-L666 HydrophobicContact CE-CD1 4.03Å; M662-L666 HydrophobicContact CE-CD2 4.44Å; M662-L666 HydrophobicContact CE-CG 4.25Å; M662-L666 HydrophobicContact CG-CD1 3.99Å; M662-L666 WeakPolarHBondContact O-CB 3.38Å; M662-L666 WeakPolarHBondContact O-CG 3.29Å; M662-L666 PolarHBondContact O-N 3.38Å; N663-L666 PolarHBondContact O-N 3.02Å; L666-N669 PolarHBondContact O-N 3.27Å; L666-I674 HydrophobicContact CD2-CD1 3.8Å; L666-I674 HydrophobicContact CG-CD1 4.09Å; L666-Y687 HydrophobicContact CD1-CE1 3.8Å; L666-Y687 WeakPolarHBondContact CD1-OH 3.47Å; L666-L696 HydrophobicContact CD1-CD1 4.29Å; L666-L696 HydrophobicContact CD1-CD2 4.42Å; L666-W773 HydrophobicContact CB-CH2 3.99Å; L666-W773 HydrophobicContact CB-CZ3 4.49Å; L666-W773 HydrophobicContact CD2-CH2 4.23Å; L666-W773 HydrophobicContact CD2-CZ3 3.88Å; L666-R779 PolarHBondContact O-NH1 3.2Å; L666-L782 HydrophobicContact CD2-CD2 4.46Å; L666-F786 HydrophobicContact CD2-CE2 4.12Å; L666-F786 HydrophobicContact CD2-CZ 3.89Å |
| 667 | L | 81.4 | Confident | 82.4 | Confident | 54 Ų | 54 | 31.6 Ų | 31.6 | 28% | 0.283 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 177.6 | -72.5 | 173.8 | 0 | 0 | 0 | 112.2 | N663 N669 Q699 R779 | N663-L667 WeakPolarHBondContact O-CB 3.46Å; N663-L667 WeakPolarHBondContact O-CG 3.28Å; N663-L667 PolarHBondContact O-N 3.32Å; L667-N669 VanDerWaalsContact C-N 3.3Å; L667-N669 PolarHBondContact O-N 3.42Å; L667-Q699 HydrophobicContact CD1-CB 4.37Å; L667-Q699 HydrophobicContact CD2-CB 3.98Å; L667-R779 VanDerWaalsContact CA-NH1 3.34Å; L667-R779 PolarHBondContact O-NH1 3.43Å |
| 668 | S | 74.4 | Confident | 82.9 | Confident | 51 Ų | 51 | 30.8 Ų | 30.8 | 36% | 0.357 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 5.3 | 179.7 | 59.9 | 0 | 0 | 0 | 0 | 115.5 | A664 L665 K670 | A664-S668 VanDerWaalsContact O-CB 3.3Å; A664-S668 WeakPolarHBondContact O-CB 3.23Å; A664-S668 PolarHBondContact O-N 2.88Å; A664-S668 PolarHBondContact O-OG 3.18Å; L665-S668 PolarHBondContact O-OG 3.36Å; S668-K670 PolarHBondContact O-N 3.03Å; S668-K670 VanDerWaalsContact O-N 3.16Å |
| 669 | N | 79.4 | Confident | 82.9 | Confident | 63 Ų | 63 | 35.8 Ų | 35.8 | 34% | 0.337 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 24 | 177.4 | -161.6 | 25 | 0 | 0 | 0 | 114.2 | L665 L666 L667 V671 L782 | L665-N669 PolarHBondContact O-N 2.84Å; L665-N669 VanDerWaalsContact O-N 3.16Å; L666-N669 PolarHBondContact O-N 3.27Å; L667-N669 VanDerWaalsContact C-N 3.3Å; L667-N669 PolarHBondContact O-N 3.42Å; N669-V671 VanDerWaalsContact C-N 3.3Å; N669-V671 WeakPolarHBondContact O-CG2 3.47Å; N669-V671 PolarHBondContact O-N 3.05Å; N669-L782 WeakPolarHBondContact OD1-CD1 3.37Å; N669-L782 WeakPolarHBondContact OD1-CG 3.36Å |
| 670 | K | 81.6 | Confident | 82.8 | Confident | 41 Ų | 41 | 39 Ų | 39 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | trans | -79.9 | 69.7 | -178.3 | -77.7 | -175 | 171.8 | 179.4 | 0 | 112.1 | I634 N637 L665 S668 Q672 F673 | I634-K670 HydrophobicContact CG2-CD 4.46Å; I634-K670 PolarHBondContact O-NZ 3.27Å; N637-K670 WeakPolarHBondContact OD1-CE 3.4Å; L665-K670 HydrophobicContact CD2-CB 3.76Å; L665-K670 HydrophobicContact CD2-CD 4.01Å; L665-K670 HydrophobicContact CD2-CG 4.49Å; L665-K670 PolarHBondContact O-N 3.36Å; L665-K670 VanDerWaalsContact O-N 3.14Å; S668-K670 PolarHBondContact O-N 3.03Å; S668-K670 VanDerWaalsContact O-N 3.16Å; K670-Q672 VanDerWaalsContact C-N 3.31Å; K670-Q672 PolarHBondContact O-N 3.05Å; K670-F673 HydrophobicContact CB-CD2 4.32Å; K670-F673 PolarHBondContact O-N 3.41Å | ||
| 671 | V | 84.9 | Confident | 82.7 | Confident | 27 Ų | 27 | 34.7 Ų | 34.7 | 16% | 0.164 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.5 | -40.7 | -172.1 | -170 | 0 | 0 | 0 | 0 | 113.8 | N669 F673 I674 C675 N781 L782 Y785 | N669-V671 VanDerWaalsContact C-N 3.3Å; N669-V671 WeakPolarHBondContact O-CG2 3.47Å; N669-V671 PolarHBondContact O-N 3.05Å; V671-F673 PolarHBondContact O-N 3.12Å; V671-I674 WeakPolarHBondContact O-CB 3.49Å; V671-I674 PolarHBondContact O-N 3.08Å; V671-I674 VanDerWaalsContact O-N 3.15Å; V671-C675 PolarHBondContact O-N 3.48Å; V671-C675 PolarHBondContact O-SG 2.88Å; V671-N781 HydrophobicContact CG2-CB 3.83Å; V671-L782 HydrophobicContact CB-CD2 4.46Å; V671-L782 HydrophobicContact CG1-CD2 4.45Å; V671-L782 HydrophobicContact CG2-CD2 3.86Å; V671-L782 HydrophobicContact CG2-CG 3.98Å; V671-Y785 HydrophobicContact CG1-CD1 4.37Å; V671-Y785 HydrophobicContact CG1-CD2 4.42Å; V671-Y785 HydrophobicContact CG1-CG 3.9Å |
| 672 | Q | 85.3 | Confident | 82.9 | Confident | 123 Ų | 123 | 34.5 Ų | 34.5 | 58% | 0.575 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -63.2 | -38.9 | -175.5 | -62.3 | -175.5 | 2.4 | 0 | 0 | 113.3 | S639 K670 I674 C675 V676 | S639-Q672 WeakPolarHBondContact OG-CB 3.25Å; S639-Q672 PolarHBondContact OG-OE1 3.45Å; K670-Q672 VanDerWaalsContact C-N 3.31Å; K670-Q672 PolarHBondContact O-N 3.05Å; Q672-I674 VanDerWaalsContact C-N 3.34Å; Q672-C675 VanDerWaalsContact O-CB 3.29Å; Q672-C675 WeakPolarHBondContact O-CB 3.45Å; Q672-C675 PolarHBondContact O-N 3Å; Q672-V676 PolarHBondContact O-N 2.91Å |
| 673 | F | 86.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -36.7 | 175.2 | -76.2 | -91.4 | 0 | 0 | 0 | 112 | A633 I634 R638 A642 L665 K670 V671 C675 V676 F677 | A633-F673 HydrophobicContact CB-CE1 4.33Å; A633-F673 VanDerWaalsContact O-CZ 3.23Å; A633-F673 WeakPolarHBondContact O-CZ 3.47Å; I634-F673 HydrophobicContact CB-CE1 4.47Å; I634-F673 HydrophobicContact CG1-CD1 3.79Å; I634-F673 HydrophobicContact CG1-CE1 3.76Å; I634-F673 HydrophobicContact CG1-CG 4.44Å; I634-F673 HydrophobicContact CG1-CZ 4.4Å; R638-F673 WeakPolarHBondContact O-CZ 3.35Å; A642-F673 HydrophobicContact CB-CD1 4.35Å; A642-F673 HydrophobicContact CB-CE1 4Å; L665-F673 HydrophobicContact CD1-CB 3.62Å; L665-F673 HydrophobicContact CD1-CG 4.49Å; L665-F673 HydrophobicContact CD2-CB 3.62Å; L665-F673 HydrophobicContact CD2-CD2 4.3Å; L665-F673 HydrophobicContact CD2-CG 3.94Å; L665-F673 HydrophobicContact CG-CB 4.22Å; K670-F673 HydrophobicContact CB-CD2 4.32Å; K670-F673 PolarHBondContact O-N 3.41Å; V671-F673 PolarHBondContact O-N 3.12Å; F673-C675 VanDerWaalsContact C-N 3.26Å; F673-C675 PolarHBondContact O-N 3.31Å; F673-V676 PolarHBondContact O-N 2.96Å; F673-F677 WeakPolarHBondContact O-CD1 3.46Å; F673-F677 PolarHBondContact O-N 3.08Å |
| 674 | I | 86.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -35.9 | 174.4 | -65.8 | 159.5 | 0 | 0 | 0 | 110.5 | M662 L665 L666 V671 Q672 I678 L782 Y785 F786 | M662-I674 HydrophobicContact CE-CG1 4.42Å; M662-I674 HydrophobicContact CE-CG2 3.84Å; M662-I674 HydrophobicContact SD-CG1 4.21Å; M662-I674 HydrophobicContact SD-CG2 4.49Å; L665-I674 HydrophobicContact CB-CD1 4.23Å; L665-I674 HydrophobicContact CB-CG1 3.95Å; L666-I674 HydrophobicContact CD2-CD1 3.8Å; L666-I674 HydrophobicContact CG-CD1 4.09Å; V671-I674 WeakPolarHBondContact O-CB 3.49Å; V671-I674 PolarHBondContact O-N 3.08Å; V671-I674 VanDerWaalsContact O-N 3.15Å; Q672-I674 VanDerWaalsContact C-N 3.34Å; I674-I678 HydrophobicContact CG2-CD1 3.76Å; I674-I678 WeakPolarHBondContact O-CB 3.4Å; I674-I678 WeakPolarHBondContact O-CD1 3.48Å; I674-I678 VanDerWaalsContact O-CG1 3.27Å; I674-I678 WeakPolarHBondContact O-CG1 3.02Å; I674-I678 PolarHBondContact O-N 3.23Å; I674-I678 VanDerWaalsContact O-N 3.14Å; I674-L782 HydrophobicContact CD1-CD2 3.6Å; I674-Y785 HydrophobicContact CG2-CE1 4.15Å; I674-F786 HydrophobicContact CG2-CZ 4.39Å |
| 675 | C | 86.1 | Confident | 82.8 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 14% | 0.142 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.1 | -53.4 | 170.4 | -54.9 | 0 | 0 | 0 | 0 | 110.7 | V671 Q672 F673 F677 I678 E679 Y785 | V671-C675 PolarHBondContact O-N 3.48Å; V671-C675 PolarHBondContact O-SG 2.88Å; Q672-C675 VanDerWaalsContact O-CB 3.29Å; Q672-C675 WeakPolarHBondContact O-CB 3.45Å; Q672-C675 PolarHBondContact O-N 3Å; F673-C675 VanDerWaalsContact C-N 3.26Å; F673-C675 PolarHBondContact O-N 3.31Å; C675-F677 VanDerWaalsContact C-N 3.33Å; C675-F677 PolarHBondContact O-N 3.16Å; C675-I678 PolarHBondContact O-N 3.17Å; C675-E679 WeakPolarHBondContact O-CB 3.39Å; C675-E679 VanDerWaalsContact O-CG 3.25Å; C675-E679 WeakPolarHBondContact O-CG 3.47Å; C675-E679 PolarHBondContact O-N 3.4Å; C675-Y785 HydrophobicContact CB-CE2 4.28Å; C675-Y785 WeakPolarHBondContact SG-CE2 3.48Å |
| 676 | V | 84.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.5 | -43 | 179.8 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | R643 F647 Q672 F673 E679 K680 | R643-V676 HydrophobicContact CB-CG1 4Å; R643-V676 HydrophobicContact CB-CG2 4.25Å; F647-V676 HydrophobicContact CD2-CG1 3.73Å; F647-V676 HydrophobicContact CE2-CG1 4Å; Q672-V676 PolarHBondContact O-N 2.91Å; F673-V676 PolarHBondContact O-N 2.96Å; V676-E679 PolarHBondContact O-N 2.84Å; V676-K680 HydrophobicContact CG1-CG 4.3Å; V676-K680 WeakPolarHBondContact O-CB 3.04Å; V676-K680 VanDerWaalsContact O-CG 3.28Å; V676-K680 WeakPolarHBondContact O-CG 3.42Å; V676-K680 PolarHBondContact O-N 2.64Å |
| 677 | F | 86.8 | Confident | 82.4 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -48.4 | 179.1 | -79.7 | 32.6 | 0 | 0 | 0 | 110.3 | L630 I634 F647 L658 H661 M662 L665 F673 C675 K680 G681 F682 | L630-F677 HydrophobicContact CD1-CE1 3.84Å; L630-F677 HydrophobicContact CD1-CZ 3.9Å; L630-F677 HydrophobicContact CD2-CZ 4.01Å; L630-F677 HydrophobicContact CG-CZ 4.44Å; I634-F677 HydrophobicContact CD1-CZ 4.43Å; F647-F677 AromaticContact CE2-CD1 3.84Å; F647-F677 HydrophobicContact CE2-CD1 3.84Å; F647-F677 AromaticContact CE2-CE1 3.79Å; F647-F677 HydrophobicContact CE2-CE1 3.79Å; F647-F677 AromaticContact CZ-CD1 3.82Å; F647-F677 HydrophobicContact CZ-CD1 3.82Å; F647-F677 AromaticContact CZ-CE1 3.73Å; F647-F677 HydrophobicContact CZ-CE1 3.73Å; F647-F677 HydrophobicContact CZ-CZ 4.36Å; L658-F677 HydrophobicContact CD2-CE2 4.25Å; L658-F677 HydrophobicContact CD2-CZ 4.4Å; H661-F677 HydrophobicContact CB-CE2 3.94Å; H661-F677 HydrophobicContact CB-CZ 4.05Å; M662-F677 HydrophobicContact SD-CD2 4.16Å; L665-F677 HydrophobicContact CD1-CD1 4.41Å; L665-F677 HydrophobicContact CD1-CD2 4.19Å; L665-F677 HydrophobicContact CD1-CE1 3.87Å; L665-F677 HydrophobicContact CD1-CE2 3.63Å; L665-F677 HydrophobicContact CD1-CZ 3.45Å; L665-F677 VanDerWaalsContact CD1-CZ 3.45Å; F673-F677 WeakPolarHBondContact O-CD1 3.46Å; F673-F677 PolarHBondContact O-N 3.08Å; C675-F677 VanDerWaalsContact C-N 3.33Å; C675-F677 PolarHBondContact O-N 3.16Å; F677-K680 PolarHBondContact O-N 2.99Å; F677-G681 PolarHBondContact O-N 3.16Å; F677-F682 VanDerWaalsContact C-CB 3.48Å; F677-F682 HydrophobicContact CB-CB 3.97Å; F677-F682 HydrophobicContact CB-CG 4.34Å; F677-F682 WeakPolarHBondContact O-CB 3.27Å; F677-F682 PolarHBondContact O-N 2.91Å |
| 678 | I | 85 | Confident | 82.5 | Confident | 36 Ų | 36 | 40.4 Ų | 40.4 | 19% | 0.185 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -42 | 179.8 | -66.7 | 164.6 | 0 | 0 | 0 | 111 | I674 C675 K680 G681 L684 Y785 | I674-I678 HydrophobicContact CG2-CD1 3.76Å; I674-I678 WeakPolarHBondContact O-CB 3.4Å; I674-I678 WeakPolarHBondContact O-CD1 3.48Å; I674-I678 VanDerWaalsContact O-CG1 3.27Å; I674-I678 WeakPolarHBondContact O-CG1 3.02Å; I674-I678 PolarHBondContact O-N 3.23Å; I674-I678 VanDerWaalsContact O-N 3.14Å; C675-I678 PolarHBondContact O-N 3.17Å; I678-K680 VanDerWaalsContact C-N 3.32Å; I678-K680 PolarHBondContact O-N 3.49Å; I678-G681 PolarHBondContact O-N 2.9Å; I678-L684 HydrophobicContact CD1-CD1 3.96Å; I678-L684 HydrophobicContact CD1-CD2 4.14Å; I678-L684 HydrophobicContact CD1-CG 4.22Å; I678-L684 HydrophobicContact CG1-CD1 4.44Å; I678-L684 HydrophobicContact CG1-CD2 4.24Å; I678-L684 HydrophobicContact CG1-CG 4.23Å; I678-Y785 HydrophobicContact CD1-CE1 3.78Å |
| 679 | E | 82.8 | Confident | 82.9 | Confident | 112 Ų | 112 | 39 Ų | 39 | 52% | 0.523 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.4 | -41.4 | 174.4 | -76 | 166.1 | -162.4 | 0 | 0 | 112.2 | R643 C675 V676 G681 | R643-E679 IonicContact CZ-OE2 3.39Å; R643-E679 VanDerWaalsContact CZ-OE2 3.27Å; R643-E679 IonicContact NE-OE2 2.68Å; R643-E679 PolarHBondContact NE-OE2 3.17Å; R643-E679 IonicContact NH2-OE1 2.71Å; R643-E679 PolarHBondContact NH2-OE1 3.33Å; R643-E679 IonicContact NH2-OE2 2.74Å; R643-E679 PolarHBondContact NH2-OE2 2.59Å; C675-E679 WeakPolarHBondContact O-CB 3.39Å; C675-E679 VanDerWaalsContact O-CG 3.25Å; C675-E679 WeakPolarHBondContact O-CG 3.47Å; C675-E679 PolarHBondContact O-N 3.4Å; V676-E679 PolarHBondContact O-N 2.84Å; E679-G681 VanDerWaalsContact C-N 3.26Å; E679-G681 PolarHBondContact O-N 2.79Å |
| 680 | K | 80.1 | Confident | 82.9 | Confident | 86 Ų | 86 | 36.1 Ų | 36.1 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 11 | -178.5 | -64 | -73.9 | -170.1 | 158 | 0 | 113.8 | R643 F647 V676 F677 I678 | R643-K680 VanDerWaalsContact O-CE 3.24Å; R643-K680 WeakPolarHBondContact O-CE 3.04Å; R643-K680 PolarHBondContact O-NZ 3.14Å; F647-K680 HydrophobicContact CB-CB 4.14Å; F647-K680 HydrophobicContact CB-CD 3.63Å; F647-K680 HydrophobicContact CB-CG 3.59Å; F647-K680 HydrophobicContact CD1-CB 4.2Å; F647-K680 HydrophobicContact CD1-CG 4.48Å; F647-K680 HydrophobicContact CD2-CG 4.28Å; F647-K680 HydrophobicContact CG-CB 4.11Å; F647-K680 HydrophobicContact CG-CD 4.47Å; F647-K680 HydrophobicContact CG-CG 3.89Å; F647-K680 PolarHBondContact O-NZ 2.83Å; V676-K680 HydrophobicContact CG1-CG 4.3Å; V676-K680 WeakPolarHBondContact O-CB 3.04Å; V676-K680 VanDerWaalsContact O-CG 3.28Å; V676-K680 WeakPolarHBondContact O-CG 3.42Å; V676-K680 PolarHBondContact O-N 2.64Å; F677-K680 PolarHBondContact O-N 2.99Å; I678-K680 VanDerWaalsContact C-N 3.32Å; I678-K680 PolarHBondContact O-N 3.49Å |
| 681 | G | 76.5 | Confident | 82.8 | Confident | 46 Ų | 46 | 39.8 Ų | 39.8 | 47% | 0.474 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | 14.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116 | F677 I678 E679 L683 | F677-G681 PolarHBondContact O-N 3.16Å; I678-G681 PolarHBondContact O-N 2.9Å; E679-G681 VanDerWaalsContact C-N 3.26Å; E679-G681 PolarHBondContact O-N 2.79Å; G681-L683 PolarHBondContact O-N 3.16Å |
| 682 | F | 83.5 | Confident | 82.7 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | trans | -66.3 | 99.4 | 170.6 | -172.9 | -97.8 | 0 | 0 | 0 | 110.4 | L658 M662 F677 L684 Y687 | L658-F682 HydrophobicContact CB-CD2 3.84Å; L658-F682 HydrophobicContact CB-CE2 3.66Å; L658-F682 HydrophobicContact CD1-CD2 4.07Å; M662-F682 HydrophobicContact CB-CE1 4.09Å; M662-F682 HydrophobicContact CB-CE2 4.42Å; M662-F682 HydrophobicContact CB-CZ 3.68Å; M662-F682 HydrophobicContact CE-CD1 4.3Å; M662-F682 HydrophobicContact CE-CE1 3.93Å; M662-F682 HydrophobicContact CG-CE1 3.55Å; M662-F682 HydrophobicContact CG-CZ 3.67Å; M662-F682 HydrophobicContact SD-CD1 4.16Å; M662-F682 HydrophobicContact SD-CE1 3.73Å; M662-F682 HydrophobicContact SD-CZ 4.29Å; F677-F682 VanDerWaalsContact C-CB 3.48Å; F677-F682 HydrophobicContact CB-CB 3.97Å; F677-F682 HydrophobicContact CB-CG 4.34Å; F677-F682 WeakPolarHBondContact O-CB 3.27Å; F677-F682 PolarHBondContact O-N 2.91Å; F682-L684 HydrophobicContact CD1-CD2 4.36Å; F682-L684 HydrophobicContact CE1-CD2 4.38Å; F682-L684 PolarHBondContact O-N 2.67Å; F682-L684 VanDerWaalsContact O-N 3.1Å; F682-Y687 HydrophobicContact CE1-CD1 4.24Å; F682-Y687 AromaticContact CE1-CD2 3.95Å; F682-Y687 HydrophobicContact CE1-CD2 3.95Å; F682-Y687 AromaticContact CE1-CG 3.63Å; F682-Y687 HydrophobicContact CE1-CG 3.63Å; F682-Y687 AromaticContact CZ-CD2 3.51Å; F682-Y687 HydrophobicContact CZ-CD2 3.51Å; F682-Y687 HydrophobicContact CZ-CE2 4.38Å; F682-Y687 AromaticContact CZ-CG 3.65Å; F682-Y687 HydrophobicContact CZ-CG 3.65Å | ||
| 683 | L | 81.9 | Confident | 82.8 | Confident | 91 Ų | 91 | 35.7 Ų | 35.7 | 48% | 0.476 | 19% | 0.189 | S | C | . | . | trans | -72 | 105.4 | -177.5 | -69.5 | 174.7 | 0 | 0 | 0 | 110.4 | G681 S685 N686 Y687 | G681-L683 PolarHBondContact O-N 3.16Å; L683-S685 PolarHBondContact O-N 2.97Å; L683-N686 HydrophobicContact CB-CB 4.26Å; L683-N686 PolarHBondContact O-N 3.43Å; L683-Y687 PolarHBondContact O-N 3.29Å; L683-Y687 VanDerWaalsContact O-N 3.16Å | ||
| 684 | L | 83.1 | Confident | 82.7 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 10% | 0.099 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.8 | -27.1 | 173.7 | -68.4 | 178.3 | 0 | 0 | 0 | 112.9 | M662 I678 F682 Y687 L688 P766 A767 L770 F786 | M662-L684 HydrophobicContact CE-CD2 3.71Å; I678-L684 HydrophobicContact CD1-CD1 3.96Å; I678-L684 HydrophobicContact CD1-CD2 4.14Å; I678-L684 HydrophobicContact CD1-CG 4.22Å; I678-L684 HydrophobicContact CG1-CD1 4.44Å; I678-L684 HydrophobicContact CG1-CD2 4.24Å; I678-L684 HydrophobicContact CG1-CG 4.23Å; F682-L684 HydrophobicContact CD1-CD2 4.36Å; F682-L684 HydrophobicContact CE1-CD2 4.38Å; F682-L684 PolarHBondContact O-N 2.67Å; F682-L684 VanDerWaalsContact O-N 3.1Å; L684-Y687 PolarHBondContact O-N 3.45Å; L684-L688 WeakPolarHBondContact O-CB 3.49Å; L684-L688 PolarHBondContact O-N 3.03Å; L684-P766 HydrophobicContact CB-CB 4.13Å; L684-P766 HydrophobicContact CB-CG 3.74Å; L684-A767 HydrophobicContact CD1-CB 4.45Å; L684-L770 HydrophobicContact CD1-CD1 4.41Å; L684-L770 HydrophobicContact CD2-CD1 3.95Å; L684-F786 HydrophobicContact CD1-CE1 4.44Å |
| 685 | S | 78.7 | Confident | 82.6 | Confident | 39 Ų | 39 | 40.8 Ų | 40.8 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.4 | -34.4 | 174.6 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | L683 I762 | L683-S685 PolarHBondContact O-N 2.97Å; S685-I762 VanDerWaalsContact O-CG2 3.25Å; S685-I762 WeakPolarHBondContact O-CG2 3.42Å |
| 686 | N | 78.9 | Confident | 82.7 | Confident | 80 Ų | 80 | 39.8 Ų | 39.8 | 43% | 0.428 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -83.9 | -27.5 | 178.6 | -61.9 | 2.5 | 0 | 0 | 0 | 110.9 | L683 | L683-N686 HydrophobicContact CB-CB 4.26Å; L683-N686 PolarHBondContact O-N 3.43Å |
| 687 | Y | 83 | Confident | 82.8 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76.6 | -49.1 | 177.9 | 168.7 | -104.5 | 0 | 0 | 0 | 113.1 | V659 M662 N663 L666 F682 L683 L684 T689 R692 L696 | V659-Y687 HydrophobicContact CG1-CD2 4.27Å; V659-Y687 HydrophobicContact CG1-CE2 4.15Å; V659-Y687 HydrophobicContact CG2-CD2 4.23Å; M662-Y687 HydrophobicContact CB-CD2 4.28Å; M662-Y687 HydrophobicContact CB-CE2 3.87Å; M662-Y687 HydrophobicContact CG-CD1 4.4Å; M662-Y687 HydrophobicContact CG-CD2 4.02Å; M662-Y687 HydrophobicContact CG-CE1 4.09Å; M662-Y687 HydrophobicContact CG-CE2 3.66Å; M662-Y687 HydrophobicContact CG-CG 4.37Å; N663-Y687 WeakPolarHBondContact OD1-CE2 3.42Å; N663-Y687 PolarHBondContact OD1-OH 3.49Å; L666-Y687 HydrophobicContact CD1-CE1 3.8Å; L666-Y687 WeakPolarHBondContact CD1-OH 3.47Å; F682-Y687 HydrophobicContact CE1-CD1 4.24Å; F682-Y687 AromaticContact CE1-CD2 3.95Å; F682-Y687 HydrophobicContact CE1-CD2 3.95Å; F682-Y687 AromaticContact CE1-CG 3.63Å; F682-Y687 HydrophobicContact CE1-CG 3.63Å; F682-Y687 AromaticContact CZ-CD2 3.51Å; F682-Y687 HydrophobicContact CZ-CD2 3.51Å; F682-Y687 HydrophobicContact CZ-CE2 4.38Å; F682-Y687 AromaticContact CZ-CG 3.65Å; F682-Y687 HydrophobicContact CZ-CG 3.65Å; L683-Y687 PolarHBondContact O-N 3.29Å; L683-Y687 VanDerWaalsContact O-N 3.16Å; L684-Y687 PolarHBondContact O-N 3.45Å; Y687-T689 PolarHBondContact O-N 3.27Å; Y687-T689 VanDerWaalsContact O-N 3.11Å; Y687-R692 HydrophobicContact CE2-CG 4.39Å; Y687-R692 WeakPolarHBondContact O-CD 3.29Å; Y687-R692 PolarHBondContact O-NH1 3.01Å; Y687-L696 HydrophobicContact CE1-CD1 4.46Å |
| 688 | L | 83.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -85.7 | 91.5 | -170.5 | -160.6 | 73.8 | 0 | 0 | 0 | 110.9 | L684 L693 L696 F763 P766 D769 L770 | L684-L688 WeakPolarHBondContact O-CB 3.49Å; L684-L688 PolarHBondContact O-N 3.03Å; L688-L693 HydrophobicContact CD1-CB 4.08Å; L688-L693 HydrophobicContact CD1-CD1 4.22Å; L688-L693 HydrophobicContact CG-CB 4.48Å; L688-L696 HydrophobicContact CD1-CD1 4.38Å; L688-F763 HydrophobicContact CB-CD2 4.37Å; L688-F763 HydrophobicContact CD2-CD2 3.75Å; L688-F763 HydrophobicContact CD2-CE2 4.13Å; L688-F763 HydrophobicContact CD2-CG 4.34Å; L688-F763 HydrophobicContact CG-CD2 3.85Å; L688-F763 HydrophobicContact CG-CE2 4.05Å; L688-F763 WeakPolarHBondContact O-CD2 3.39Å; L688-P766 HydrophobicContact CB-CB 3.83Å; L688-P766 HydrophobicContact CD2-CB 3.64Å; L688-P766 HydrophobicContact CG-CB 4.39Å; L688-D769 HydrophobicContact CD2-CB 3.84Å; L688-L770 HydrophobicContact CD1-CD2 3.96Å; L688-L770 HydrophobicContact CD1-CG 4.18Å; L688-L770 HydrophobicContact CD2-CG 4.16Å | ||
| 689 | T | 82 | Confident | 82.7 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 13% | 0.129 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -88.7 | 157.8 | 163.1 | 66.4 | 0 | 0 | 0 | 0 | 110 | Y687 E691 R692 L693 A760 | Y687-T689 PolarHBondContact O-N 3.27Å; Y687-T689 VanDerWaalsContact O-N 3.11Å; T689-E691 VanDerWaalsContact C-N 3.28Å; T689-E691 PolarHBondContact O-N 2.86Å; T689-R692 PolarHBondContact O-N 3.03Å; T689-R692 VanDerWaalsContact O-N 3.14Å; T689-R692 WeakPolarHBondContact OG1-CB 3.48Å; T689-R692 PolarHBondContact OG1-N 3.37Å; T689-L693 PolarHBondContact O-N 3.16Å; T689-A760 HydrophobicContact CG2-CB 4.1Å |
| 690 | A | 79.1 | Confident | 82.7 | Confident | 3 Ų | 3 | 37 Ų | 37 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.2 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | L693 Q694 L726 F750 I753 F763 | A690-L693 PolarHBondContact O-N 3.16Å; A690-Q694 WeakPolarHBondContact O-CG 3.19Å; A690-Q694 PolarHBondContact O-N 2.88Å; A690-Q694 VanDerWaalsContact O-N 3.08Å; A690-L726 HydrophobicContact CB-CD1 3.76Å; A690-F750 HydrophobicContact CB-CD1 4.45Å; A690-F750 HydrophobicContact CB-CE1 4.36Å; A690-I753 HydrophobicContact CB-CD1 3.36Å; A690-F763 HydrophobicContact CB-CE2 4.42Å; A690-F763 HydrophobicContact CB-CZ 4.36Å |
| 691 | E | 79.1 | Confident | 82.7 | Confident | 118 Ų | 118 | 33.6 Ų | 33.6 | 55% | 0.551 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -62.2 | -42.7 | 175.9 | -66.5 | 169.7 | -176 | 0 | 0 | 112.3 | T689 Q694 L695 I753 | T689-E691 VanDerWaalsContact C-N 3.28Å; T689-E691 PolarHBondContact O-N 2.86Å; E691-Q694 WeakPolarHBondContact O-CB 3.17Å; E691-Q694 PolarHBondContact O-N 3.49Å; E691-L695 PolarHBondContact O-N 2.84Å; E691-I753 HydrophobicContact CG-CG2 4.43Å |
| 692 | R | 83.8 | Confident | 82.7 | Confident | 64 Ų | 64 | 37.3 Ų | 37.3 | 24% | 0.242 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.3 | -35.1 | 179.8 | -168.6 | 162.9 | -62.4 | 132.2 | 0.2 | 112 | Y687 T689 L695 L696 | Y687-R692 HydrophobicContact CE2-CG 4.39Å; Y687-R692 WeakPolarHBondContact O-CD 3.29Å; Y687-R692 PolarHBondContact O-NH1 3.01Å; T689-R692 PolarHBondContact O-N 3.03Å; T689-R692 VanDerWaalsContact O-N 3.14Å; T689-R692 WeakPolarHBondContact OG1-CB 3.48Å; T689-R692 PolarHBondContact OG1-N 3.37Å; R692-L695 PolarHBondContact O-N 3.3Å; R692-L696 WeakPolarHBondContact O-CG 3.3Å; R692-L696 PolarHBondContact O-N 3.26Å |
| 693 | L | 86.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -40 | 172.2 | -175.1 | 58.9 | 0 | 0 | 0 | 111.3 | L688 T689 A690 L696 Y697 L726 Y745 F763 D769 W773 | L688-L693 HydrophobicContact CD1-CB 4.08Å; L688-L693 HydrophobicContact CD1-CD1 4.22Å; L688-L693 HydrophobicContact CG-CB 4.48Å; T689-L693 PolarHBondContact O-N 3.16Å; A690-L693 PolarHBondContact O-N 3.16Å; L693-L696 PolarHBondContact O-N 3.19Å; L693-Y697 HydrophobicContact CD1-CD2 4.01Å; L693-Y697 HydrophobicContact CD1-CE2 3.61Å; L693-Y697 HydrophobicContact CD2-CE2 4.27Å; L693-Y697 HydrophobicContact CG-CD2 3.98Å; L693-Y697 HydrophobicContact CG-CE2 3.71Å; L693-Y697 WeakPolarHBondContact O-CD2 3.37Å; L693-Y697 PolarHBondContact O-N 3.22Å; L693-L726 HydrophobicContact CB-CD2 4.24Å; L693-L726 HydrophobicContact CD2-CD2 3.67Å; L693-L726 HydrophobicContact CG-CD2 3.78Å; L693-Y745 HydrophobicContact CD2-CE1 4.46Å; L693-F763 HydrophobicContact CB-CE2 4.3Å; L693-F763 HydrophobicContact CB-CZ 4.49Å; L693-F763 HydrophobicContact CD2-CE1 4.29Å; L693-F763 HydrophobicContact CD2-CE2 3.98Å; L693-F763 HydrophobicContact CD2-CZ 3.6Å; L693-D769 HydrophobicContact CD2-CB 4.2Å; L693-W773 HydrophobicContact CD1-CB 4.19Å; L693-W773 HydrophobicContact CD1-CG 4.45Å |
| 694 | Q | 85.4 | Confident | 81.1 | Confident | 31 Ų | 31 | 42 Ų | 42 | 15% | 0.145 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 172.3 | -67.7 | 178.4 | 16 | 0 | 0 | 111.8 | A690 E691 L696 Y697 T698 I724 L726 | A690-Q694 WeakPolarHBondContact O-CG 3.19Å; A690-Q694 PolarHBondContact O-N 2.88Å; A690-Q694 VanDerWaalsContact O-N 3.08Å; E691-Q694 WeakPolarHBondContact O-CB 3.17Å; E691-Q694 PolarHBondContact O-N 3.49Å; Q694-L696 PolarHBondContact O-N 2.81Å; Q694-Y697 PolarHBondContact O-N 3.34Å; Q694-T698 PolarHBondContact O-N 3.49Å; Q694-I724 WeakPolarHBondContact CB-O 3.45Å; Q694-I724 VanDerWaalsContact CG-O 3.31Å; Q694-I724 WeakPolarHBondContact CG-O 3.41Å; Q694-L726 HydrophobicContact CG-CD1 4.43Å; Q694-L726 HydrophobicContact CG-CD2 4.08Å; Q694-L726 HydrophobicContact CG-CG 3.69Å |
| 695 | L | 85.1 | Confident | 80.1 | Confident | 77 Ų | 77 | 49 Ų | 49 | 40% | 0.403 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.2 | -43.8 | 175.8 | -178.2 | 65 | 0 | 0 | 0 | 112.2 | E691 R692 Y697 T698 Q699 | E691-L695 PolarHBondContact O-N 2.84Å; R692-L695 PolarHBondContact O-N 3.3Å; L695-Y697 PolarHBondContact O-N 3.19Å; L695-T698 PolarHBondContact O-N 3.41Å; L695-Q699 HydrophobicContact CD1-CG 4.09Å; L695-Q699 HydrophobicContact CG-CG 4.36Å; L695-Q699 WeakPolarHBondContact O-CB 3.48Å; L695-Q699 WeakPolarHBondContact O-CG 3.26Å; L695-Q699 PolarHBondContact O-N 3.32Å |
| 696 | L | 86.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -40.2 | 175.7 | -75 | 173 | 0 | 0 | 0 | 112.3 | L666 Y687 L688 R692 L693 Q694 S700 L770 W773 | L666-L696 HydrophobicContact CD1-CD1 4.29Å; L666-L696 HydrophobicContact CD1-CD2 4.42Å; Y687-L696 HydrophobicContact CE1-CD1 4.46Å; L688-L696 HydrophobicContact CD1-CD1 4.38Å; R692-L696 WeakPolarHBondContact O-CG 3.3Å; R692-L696 PolarHBondContact O-N 3.26Å; L693-L696 PolarHBondContact O-N 3.19Å; Q694-L696 PolarHBondContact O-N 2.81Å; L696-S700 WeakPolarHBondContact O-CB 3.48Å; L696-S700 PolarHBondContact O-N 3.44Å; L696-S700 PolarHBondContact O-OG 2.93Å; L696-S700 VanDerWaalsContact O-OG 3.06Å; L696-L770 HydrophobicContact CD1-CD2 4.22Å; L696-W773 PolarHBondContact O-NE1 3.41Å |
| 697 | Y | 87 | Confident | 78.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -50.3 | 173.3 | -82.1 | -70.9 | 0 | 0 | 0 | 111 | L693 Q694 L695 S700 I701 L710 L726 I729 W773 L776 | L693-Y697 HydrophobicContact CD1-CD2 4.01Å; L693-Y697 HydrophobicContact CD1-CE2 3.61Å; L693-Y697 HydrophobicContact CD2-CE2 4.27Å; L693-Y697 HydrophobicContact CG-CD2 3.98Å; L693-Y697 HydrophobicContact CG-CE2 3.71Å; L693-Y697 WeakPolarHBondContact O-CD2 3.37Å; L693-Y697 PolarHBondContact O-N 3.22Å; Q694-Y697 PolarHBondContact O-N 3.34Å; L695-Y697 PolarHBondContact O-N 3.19Å; Y697-S700 WeakPolarHBondContact CA-OG 3.34Å; Y697-S700 PolarHBondContact O-N 3.3Å; Y697-S700 PolarHBondContact O-OG 3.39Å; Y697-I701 PolarHBondContact O-N 3.36Å; Y697-I701 VanDerWaalsContact O-N 3.13Å; Y697-L710 HydrophobicContact CD1-CD2 4.25Å; Y697-L710 HydrophobicContact CE1-CD2 4.43Å; Y697-L726 HydrophobicContact CD2-CD2 4.48Å; Y697-L726 HydrophobicContact CE2-CD2 4.41Å; Y697-I729 HydrophobicContact CD1-CD1 4.06Å; Y697-I729 HydrophobicContact CD2-CD1 3.3Å; Y697-I729 HydrophobicContact CE1-CD1 4.25Å; Y697-I729 HydrophobicContact CE2-CD1 3.53Å; Y697-I729 HydrophobicContact CG-CD1 3.6Å; Y697-W773 AromaticContact CD1-CD1 3.69Å; Y697-W773 HydrophobicContact CE1-CB 4.24Å; Y697-W773 AromaticContact CE1-CD1 3.62Å; Y697-W773 HydrophobicContact CE1-CG 4.3Å; Y697-W773 HydrophobicContact CE2-CB 4.33Å; Y697-W773 AromaticContact CG-CD1 3.96Å; Y697-W773 AromaticContact CZ-CD1 3.82Å; Y697-W773 VanDerWaalsContact OH-CA 3.31Å; Y697-W773 WeakPolarHBondContact OH-CA 3.27Å; Y697-W773 PolarHBondContact OH-N 2.81Å; Y697-L776 HydrophobicContact CE1-CB 4.24Å; Y697-L776 HydrophobicContact CE1-CD1 4Å |
| 698 | T | 86.3 | Confident | 78.6 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 13% | 0.129 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.5 | -53.4 | 177.3 | -77.5 | 0 | 0 | 0 | 0 | 111.6 | Q694 L695 S700 I701 H702 D722 I724 | Q694-T698 PolarHBondContact O-N 3.49Å; L695-T698 PolarHBondContact O-N 3.41Å; T698-S700 VanDerWaalsContact C-N 3.29Å; T698-S700 PolarHBondContact O-N 2.95Å; T698-I701 PolarHBondContact O-N 2.95Å; T698-H702 PolarHBondContact O-CD2 2.87Å; T698-H702 PolarHBondContact O-N 3.47Å; T698-D722 VanDerWaalsContact CG2-O 3.29Å; T698-D722 WeakPolarHBondContact CG2-O 3.43Å; T698-D722 PolarHBondContact OG1-O 3.41Å; T698-I724 PolarHBondContact OG1-N 3.23Å; T698-I724 VanDerWaalsContact OG1-N 3.14Å |
| 699 | Q | 83.5 | Confident | 78.4 | Confident | 69 Ų | 69 | 48.8 Ų | 48.8 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.5 | -36.4 | 179.6 | -71.6 | 179.7 | -35.2 | 0 | 0 | 112.6 | L667 L695 I701 H702 S703 | L667-Q699 HydrophobicContact CD1-CB 4.37Å; L667-Q699 HydrophobicContact CD2-CB 3.98Å; L695-Q699 HydrophobicContact CD1-CG 4.09Å; L695-Q699 HydrophobicContact CG-CG 4.36Å; L695-Q699 WeakPolarHBondContact O-CB 3.48Å; L695-Q699 WeakPolarHBondContact O-CG 3.26Å; L695-Q699 PolarHBondContact O-N 3.32Å; Q699-I701 VanDerWaalsContact C-N 3.3Å; Q699-I701 PolarHBondContact O-N 2.89Å; Q699-H702 PolarHBondContact O-N 3.18Å; Q699-S703 PolarHBondContact O-N 2.9Å; Q699-S703 VanDerWaalsContact O-N 3.15Å |
| 700 | S | 83.7 | Confident | 78.5 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.7 | -20.4 | 176.5 | 71 | 0 | 0 | 0 | 0 | 114.7 | L696 Y697 T698 S703 P706 T777 | L696-S700 WeakPolarHBondContact O-CB 3.48Å; L696-S700 PolarHBondContact O-N 3.44Å; L696-S700 PolarHBondContact O-OG 2.93Å; L696-S700 VanDerWaalsContact O-OG 3.06Å; Y697-S700 WeakPolarHBondContact CA-OG 3.34Å; Y697-S700 PolarHBondContact O-N 3.3Å; Y697-S700 PolarHBondContact O-OG 3.39Å; T698-S700 VanDerWaalsContact C-N 3.29Å; T698-S700 PolarHBondContact O-N 2.95Å; S700-S703 PolarHBondContact O-OG 2.89Å; S700-P706 WeakPolarHBondContact O-CA 3.4Å; S700-T777 VanDerWaalsContact OG-CG2 3.28Å; S700-T777 WeakPolarHBondContact OG-CG2 3.43Å |
| 701 | I | 80.7 | Confident | 78.7 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -87 | -17.2 | 175 | -70.3 | -160.2 | 0 | 0 | 0 | 111.9 | Y697 T698 Q699 P706 L710 I711 I714 I724 | Y697-I701 PolarHBondContact O-N 3.36Å; Y697-I701 VanDerWaalsContact O-N 3.13Å; T698-I701 PolarHBondContact O-N 2.95Å; Q699-I701 VanDerWaalsContact C-N 3.3Å; Q699-I701 PolarHBondContact O-N 2.89Å; I701-P706 WeakPolarHBondContact O-CB 3.21Å; I701-L710 HydrophobicContact CD1-CD2 3.92Å; I701-L710 HydrophobicContact CD1-CG 4.36Å; I701-I711 HydrophobicContact CD1-CG1 3.85Å; I701-I711 HydrophobicContact CG1-CG1 4.31Å; I701-I711 HydrophobicContact CG2-CD1 3.96Å; I701-I711 HydrophobicContact CG2-CG1 4.06Å; I701-I714 HydrophobicContact CD1-CD1 4.46Å; I701-I724 HydrophobicContact CB-CD1 4.09Å; I701-I724 HydrophobicContact CD1-CD1 3.38Å; I701-I724 HydrophobicContact CG1-CD1 3.85Å |
| 702 | H | 76.3 | Confident | 78.9 | Confident | 123 Ų | 123 | 44.4 Ų | 44.4 | 57% | 0.569 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -105.9 | -2.2 | 178.7 | -64.4 | -66.6 | 0 | 0 | 0 | 115 | T698 Q699 | T698-H702 PolarHBondContact O-CD2 2.87Å; T698-H702 PolarHBondContact O-N 3.47Å; Q699-H702 PolarHBondContact O-N 3.18Å |
| 703 | S | 71.5 | Confident | 78.9 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -77 | 158.8 | 173.3 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | Q699 S700 H705 P706 | Q699-S703 PolarHBondContact O-N 2.9Å; Q699-S703 VanDerWaalsContact O-N 3.15Å; S700-S703 PolarHBondContact O-OG 2.89Å; S703-H705 PolarHBondContact O-N 2.75Å; S703-P706 VanDerWaalsContact O-CD 3.25Å; S703-P706 WeakPolarHBondContact O-CD 3.26Å |
| 704 | D | 59.5 | Low | 78.8 | Confident | 157 Ų | 157 | 41.8 Ų | 41.8 | 84% | 0.84 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -48.8 | -23.9 | -179.2 | -54.3 | -27.5 | 0 | 0 | 0 | 115.7 | ||
| 705 | H | 62.6 | Low | 78.8 | Confident | 165 Ų | 165 | 47.1 Ų | 47.1 | 76% | 0.764 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -125.5 | 76.6 | 177.5 | -58 | -25.9 | 0 | 0 | 0 | 110.3 | S703 | S703-H705 PolarHBondContact O-N 2.75Š|
| 706 | P | 62.5 | Low | 78.6 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | trans | -83.6 | 147.4 | -177.1 | 35.4 | -33.8 | 0 | 0 | 0 | 111.4 | S700 I701 S703 E708 I711 | S700-P706 WeakPolarHBondContact O-CA 3.4Å; I701-P706 WeakPolarHBondContact O-CB 3.21Å; S703-P706 VanDerWaalsContact O-CD 3.25Å; S703-P706 WeakPolarHBondContact O-CD 3.26Å; P706-E708 PolarHBondContact O-N 3.16Å; P706-I711 HydrophobicContact CB-CD1 4.02Å; P706-I711 HydrophobicContact CG-CD1 4.46Å | ||
| 707 | G | 68.4 | Low | 78.4 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | trans | -68.2 | 87.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A709 L710 I711 | G707-A709 VanDerWaalsContact C-N 3.32Å; G707-A709 PolarHBondContact O-N 3.29Å; G707-L710 PolarHBondContact O-N 2.79Å; G707-I711 PolarHBondContact O-N 3.27Å | ||
| 708 | E | 78.1 | Confident | 78.2 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58 | -40.9 | -169.6 | -167.3 | -165.8 | -164.8 | 0 | 0 | 112.7 | P706 L710 I711 N712 E778 T812 | P706-E708 PolarHBondContact O-N 3.16Å; E708-L710 VanDerWaalsContact C-N 3.34Å; E708-L710 PolarHBondContact O-N 3.44Å; E708-I711 WeakPolarHBondContact O-CB 3.46Å; E708-I711 PolarHBondContact O-N 3.17Å; E708-N712 PolarHBondContact O-N 3.37Å; E708-E778 PolarHBondContact N-OE1 3.34Å; E708-T812 WeakPolarHBondContact OE1-CB 3.37Å; E708-T812 WeakPolarHBondContact OE1-CG2 3.24Å; E708-T812 PolarHBondContact OE1-OG1 3.08Å; E708-T812 PolarHBondContact OE2-N 3.47Å; E708-T812 PolarHBondContact OE2-OG1 3.26Å |
| 709 | A | 78.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.6 | -37.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G707 N712 V713 L807 A811 M820 | G707-A709 VanDerWaalsContact C-N 3.32Å; G707-A709 PolarHBondContact O-N 3.29Å; A709-N712 PolarHBondContact O-N 3.3Å; A709-V713 VanDerWaalsContact O-CG2 3.31Å; A709-V713 WeakPolarHBondContact O-CG2 3.35Å; A709-V713 PolarHBondContact O-N 3.4Å; A709-L807 HydrophobicContact CB-CB 4.35Å; A709-A811 HydrophobicContact CB-CB 4.28Å; A709-M820 HydrophobicContact CB-CE 3.75Å; A709-M820 HydrophobicContact CB-SD 4.32Å |
| 710 | L | 83.3 | Confident | 77.6 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 175.3 | 174.4 | 66.2 | 0 | 0 | 0 | 111.2 | Y697 I701 G707 E708 N712 V713 I714 L776 | Y697-L710 HydrophobicContact CD1-CD2 4.25Å; Y697-L710 HydrophobicContact CE1-CD2 4.43Å; I701-L710 HydrophobicContact CD1-CD2 3.92Å; I701-L710 HydrophobicContact CD1-CG 4.36Å; G707-L710 PolarHBondContact O-N 2.79Å; E708-L710 VanDerWaalsContact C-N 3.34Å; E708-L710 PolarHBondContact O-N 3.44Å; L710-N712 VanDerWaalsContact C-N 3.3Å; L710-N712 PolarHBondContact O-N 3.04Å; L710-V713 WeakPolarHBondContact O-CB 3.32Å; L710-V713 PolarHBondContact O-N 3.18Å; L710-I714 HydrophobicContact CD1-CD1 4.1Å; L710-I714 HydrophobicContact CD1-CG1 4.4Å; L710-I714 HydrophobicContact CG-CD1 4.04Å; L710-I714 WeakPolarHBondContact O-CG1 3.46Å; L710-I714 PolarHBondContact O-N 3Å; L710-L776 HydrophobicContact CD1-CB 4.49Å; L710-L776 HydrophobicContact CD1-CD1 4.28Å; L710-L776 HydrophobicContact CD1-CD2 4.3Å; L710-L776 HydrophobicContact CD2-CB 4.21Å |
| 711 | I | 83.9 | Confident | 77.3 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.077 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 178 | -65.9 | 169.7 | 0 | 0 | 0 | 110.2 | I701 P706 G707 E708 I714 R715 I720 | I701-I711 HydrophobicContact CD1-CG1 3.85Å; I701-I711 HydrophobicContact CG1-CG1 4.31Å; I701-I711 HydrophobicContact CG2-CD1 3.96Å; I701-I711 HydrophobicContact CG2-CG1 4.06Å; P706-I711 HydrophobicContact CB-CD1 4.02Å; P706-I711 HydrophobicContact CG-CD1 4.46Å; G707-I711 PolarHBondContact O-N 3.27Å; E708-I711 WeakPolarHBondContact O-CB 3.46Å; E708-I711 PolarHBondContact O-N 3.17Å; I711-I714 PolarHBondContact O-N 3.36Å; I711-R715 VanDerWaalsContact CG2-CZ 3.44Å; I711-R715 VanDerWaalsContact O-CG 3.31Å; I711-R715 WeakPolarHBondContact O-CG 3.33Å; I711-R715 PolarHBondContact O-N 3.38Å; I711-I720 HydrophobicContact CG2-CD1 3.55Å; I711-I720 HydrophobicContact CG2-CG1 4.35Å |
| 712 | N | 83.6 | Confident | 77.2 | Confident | 33 Ų | 33 | 68.6 Ų | 68.6 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.5 | -35 | 177.8 | -69.4 | -21.4 | 0 | 0 | 0 | 113.2 | E708 A709 L710 R715 A716 N810 T812 | E708-N712 PolarHBondContact O-N 3.37Å; A709-N712 PolarHBondContact O-N 3.3Å; L710-N712 VanDerWaalsContact C-N 3.3Å; L710-N712 PolarHBondContact O-N 3.04Å; N712-R715 PolarHBondContact OD1-NH1 2.87Å; N712-A716 PolarHBondContact O-N 3.33Å; N712-N810 HydrophobicContact CB-CB 4.36Å; N712-N810 WeakPolarHBondContact CB-O 3.33Å; N712-N810 PolarHBondContact ND2-O 3.27Å; N712-T812 WeakPolarHBondContact ND2-CG2 3.38Å |
| 713 | V | 83.4 | Confident | 77.3 | Confident | 7 Ų | 7 | 70.5 Ų | 70.5 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 170.9 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | A709 L710 A716 F717 A732 L736 L807 N810 | A709-V713 VanDerWaalsContact O-CG2 3.31Å; A709-V713 WeakPolarHBondContact O-CG2 3.35Å; A709-V713 PolarHBondContact O-N 3.4Å; L710-V713 WeakPolarHBondContact O-CB 3.32Å; L710-V713 PolarHBondContact O-N 3.18Å; V713-A716 WeakPolarHBondContact O-CB 3.37Å; V713-A716 PolarHBondContact O-N 2.97Å; V713-F717 HydrophobicContact CG1-CE1 4.07Å; V713-F717 VanDerWaalsContact O-CD1 3.28Å; V713-F717 WeakPolarHBondContact O-CD1 3.48Å; V713-F717 WeakPolarHBondContact O-CE1 3.36Å; V713-A732 HydrophobicContact CG1-CB 3.84Å; V713-L736 HydrophobicContact CG1-CD1 4.21Å; V713-L736 HydrophobicContact CG1-CG 4.3Å; V713-L736 HydrophobicContact CG2-CD1 4.22Å; V713-L736 HydrophobicContact CG2-CD2 3.93Å; V713-L736 HydrophobicContact CG2-CG 4.39Å; V713-L807 HydrophobicContact CG2-CD2 4.17Å; V713-N810 HydrophobicContact CG2-CB 4.21Å; V713-N810 WeakPolarHBondContact CG2-ND2 3.44Å |
| 714 | I | 85 | Confident | 77.8 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.015 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.5 | -45.9 | -177.6 | -67.7 | 168.7 | 0 | 0 | 0 | 110.8 | I701 L710 I711 A716 F717 V718 L728 | I701-I714 HydrophobicContact CD1-CD1 4.46Å; L710-I714 HydrophobicContact CD1-CD1 4.1Å; L710-I714 HydrophobicContact CD1-CG1 4.4Å; L710-I714 HydrophobicContact CG-CD1 4.04Å; L710-I714 WeakPolarHBondContact O-CG1 3.46Å; L710-I714 PolarHBondContact O-N 3Å; I711-I714 PolarHBondContact O-N 3.36Å; I714-A716 PolarHBondContact O-N 2.94Å; I714-A716 VanDerWaalsContact O-N 3.07Å; I714-F717 PolarHBondContact O-N 3.22Å; I714-F717 VanDerWaalsContact O-N 3.08Å; I714-V718 CarbonylContact C-O 3.58Å; I714-V718 PolarHBondContact O-N 3.3Å; I714-L728 HydrophobicContact CD1-CD2 4.49Å; I714-L728 HydrophobicContact CG2-CD2 3.82Å; I714-L728 HydrophobicContact CG2-CG 4.46Å |
| 715 | R | 85.2 | Confident | 78.9 | Confident | 143 Ų | 143 | 62.5 Ų | 62.5 | 54% | 0.54 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -52.6 | -29.4 | 176.4 | -77.2 | 173.7 | 179.5 | 155.7 | -0.8 | 113.7 | I711 N712 F717 V718 I720 | I711-R715 VanDerWaalsContact CG2-CZ 3.44Å; I711-R715 VanDerWaalsContact O-CG 3.31Å; I711-R715 WeakPolarHBondContact O-CG 3.33Å; I711-R715 PolarHBondContact O-N 3.38Å; N712-R715 PolarHBondContact OD1-NH1 2.87Å; R715-F717 PolarHBondContact O-N 3.33Å; R715-V718 WeakPolarHBondContact CA-O 3.42Å; R715-I720 HydrophobicContact CG-CD1 4.27Å; R715-I720 HydrophobicContact CG-CG1 4.06Å |
| 716 | A | 81.8 | Confident | 79.9 | Confident | 82 Ų | 82 | 54.7 Ų | 54.7 | 68% | 0.678 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N712 V713 I714 | N712-A716 PolarHBondContact O-N 3.33Å; V713-A716 WeakPolarHBondContact O-CB 3.37Å; V713-A716 PolarHBondContact O-N 2.97Å; I714-A716 PolarHBondContact O-N 2.94Å; I714-A716 VanDerWaalsContact O-N 3.07Å |
| 717 | F | 81.7 | Confident | 80.9 | Confident | 54 Ų | 54 | 56 Ų | 56 | 24% | 0.237 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | -12.1 | 179.1 | 58.7 | -85.3 | 0 | 0 | 0 | 116 | V713 I714 R715 L728 R731 A732 | V713-F717 HydrophobicContact CG1-CE1 4.07Å; V713-F717 VanDerWaalsContact O-CD1 3.28Å; V713-F717 WeakPolarHBondContact O-CD1 3.48Å; V713-F717 WeakPolarHBondContact O-CE1 3.36Å; I714-F717 PolarHBondContact O-N 3.22Å; I714-F717 VanDerWaalsContact O-N 3.08Å; R715-F717 PolarHBondContact O-N 3.33Å; F717-L728 HydrophobicContact CD2-CD1 4.35Å; F717-L728 HydrophobicContact CE2-CD1 3.64Å; F717-L728 HydrophobicContact CE2-CG 4.32Å; F717-L728 HydrophobicContact CZ-CD1 4.46Å; F717-R731 HydrophobicContact CD2-CG 4.39Å; F717-R731 HydrophobicContact CE2-CB 4.31Å; F717-R731 HydrophobicContact CE2-CG 3.97Å; F717-R731 HydrophobicContact CZ-CG 4.46Å; F717-A732 HydrophobicContact CE1-CB 4.42Å; F717-A732 HydrophobicContact CZ-CB 3.98Å |
| 718 | V | 82.2 | Confident | 81.7 | Confident | 61 Ų | 61 | 56.7 Ų | 56.7 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -147.9 | 150.5 | 169.5 | -162.1 | 0 | 0 | 0 | 0 | 109.8 | I714 R715 L728 | I714-V718 CarbonylContact C-O 3.58Å; I714-V718 PolarHBondContact O-N 3.3Å; R715-V718 WeakPolarHBondContact CA-O 3.42Å; V718-L728 HydrophobicContact CB-CD1 4.24Å; V718-L728 HydrophobicContact CG2-CD1 3.57Å |
| 719 | K | 80 | Confident | 82.2 | Confident | 191 Ų | 191 | 53.9 Ų | 53.9 | 83% | 0.83 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 147.2 | 162.7 | -69 | -174.3 | 177.8 | -176.6 | 0 | 109.6 | P721 | K719-P721 VanDerWaalsContact O-CD 3.23Å; K719-P721 WeakPolarHBondContact O-CD 3.42Å |
| 720 | I | 77.6 | Confident | 82.6 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 33% | 0.333 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 119.5 | 178.6 | -52.6 | 167 | 0 | 0 | 0 | 108.5 | I711 R715 | I711-I720 HydrophobicContact CG2-CD1 3.55Å; I711-I720 HydrophobicContact CG2-CG1 4.35Å; R715-I720 HydrophobicContact CG-CD1 4.27Å; R715-I720 HydrophobicContact CG-CG1 4.06Å |
| 721 | P | 77.4 | Confident | 82.7 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 151.7 | 170.4 | 34.9 | -32.9 | 0 | 0 | 0 | 110.4 | K719 Q723 L728 | K719-P721 VanDerWaalsContact O-CD 3.23Å; K719-P721 WeakPolarHBondContact O-CD 3.42Å; P721-Q723 WeakPolarHBondContact CB-O 3.41Å; P721-Q723 VanDerWaalsContact CG-O 3.24Å; P721-Q723 WeakPolarHBondContact CG-O 3.35Å; P721-Q723 PolarHBondContact O-N 3.42Å; P721-L728 HydrophobicContact CG-CD2 4.23Å |
| 722 | D | 77.9 | Confident | 82.9 | Confident | 136 Ų | 136 | 57.8 Ų | 57.8 | 73% | 0.727 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -60.9 | -25.3 | 175.1 | -51.2 | -37 | 0 | 0 | 0 | 112.3 | T698 | T698-D722 VanDerWaalsContact CG2-O 3.29Å; T698-D722 WeakPolarHBondContact CG2-O 3.43Å; T698-D722 PolarHBondContact OG1-O 3.41Å |
| 723 | Q | 78 | Confident | 83.2 | Confident | 163 Ų | 163 | 56.3 Ų | 56.3 | 76% | 0.762 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -121.9 | 124.3 | 174.5 | -66.1 | -172.4 | -5.1 | 0 | 0 | 111.6 | P721 | P721-Q723 WeakPolarHBondContact CB-O 3.41Å; P721-Q723 VanDerWaalsContact CG-O 3.24Å; P721-Q723 WeakPolarHBondContact CG-O 3.35Å; P721-Q723 PolarHBondContact O-N 3.42Å |
| 724 | I | 82.5 | Confident | 83.4 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | trans | -95 | 114 | -173.2 | -55.9 | 172.3 | 0 | 0 | 0 | 110.3 | Q694 T698 I701 L728 I729 | Q694-I724 WeakPolarHBondContact CB-O 3.45Å; Q694-I724 VanDerWaalsContact CG-O 3.31Å; Q694-I724 WeakPolarHBondContact CG-O 3.41Å; T698-I724 PolarHBondContact OG1-N 3.23Å; T698-I724 VanDerWaalsContact OG1-N 3.14Å; I701-I724 HydrophobicContact CB-CD1 4.09Å; I701-I724 HydrophobicContact CD1-CD1 3.38Å; I701-I724 HydrophobicContact CG1-CD1 3.85Å; I724-L728 HydrophobicContact CG2-CD2 4.46Å; I724-I729 HydrophobicContact CG2-CD1 3.73Å; I724-I729 HydrophobicContact CG2-CG1 3.94Å | ||
| 725 | S | 82.5 | Confident | 83.3 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | trans | -81.5 | 147.5 | 178.8 | 72.1 | 0 | 0 | 0 | 0 | 113.3 | Y727 L728 I729 | S725-Y727 PolarHBondContact O-N 3.15Å; S725-L728 VanDerWaalsContact O-CB 3.29Å; S725-L728 WeakPolarHBondContact O-CB 3.15Å; S725-L728 PolarHBondContact O-N 3.4Å; S725-L728 PolarHBondContact OG-N 3.47Å; S725-I729 PolarHBondContact O-N 2.8Å | ||
| 726 | L | 84.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -31 | 176.4 | -64.4 | 175.9 | 0 | 0 | 0 | 112.8 | A690 L693 Q694 Y697 L728 I729 G730 Y745 F750 F763 | A690-L726 HydrophobicContact CB-CD1 3.76Å; L693-L726 HydrophobicContact CB-CD2 4.24Å; L693-L726 HydrophobicContact CD2-CD2 3.67Å; L693-L726 HydrophobicContact CG-CD2 3.78Å; Q694-L726 HydrophobicContact CG-CD1 4.43Å; Q694-L726 HydrophobicContact CG-CD2 4.08Å; Q694-L726 HydrophobicContact CG-CG 3.69Å; Y697-L726 HydrophobicContact CD2-CD2 4.48Å; Y697-L726 HydrophobicContact CE2-CD2 4.41Å; L726-L728 VanDerWaalsContact C-N 3.3Å; L726-L728 PolarHBondContact O-N 3.11Å; L726-I729 HydrophobicContact CD2-CD1 4.13Å; L726-I729 PolarHBondContact O-N 3.19Å; L726-G730 PolarHBondContact O-N 3.15Å; L726-Y745 WeakPolarHBondContact O-CB 3.34Å; L726-F750 HydrophobicContact CD1-CD1 3.74Å; L726-F750 HydrophobicContact CD1-CE1 3.95Å; L726-F763 HydrophobicContact CD1-CE1 4.48Å; L726-F763 HydrophobicContact CD1-CZ 3.77Å |
| 727 | Y | 83.7 | Confident | 83.6 | Confident | 83 Ų | 83 | 57.2 Ų | 57.2 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 174.5 | -177.5 | -98.2 | 0 | 0 | 0 | 111.8 | S725 G730 R731 M746 F751 | S725-Y727 PolarHBondContact O-N 3.15Å; Y727-G730 PolarHBondContact O-N 3.46Å; Y727-R731 WeakPolarHBondContact O-CB 3.39Å; Y727-R731 PolarHBondContact O-N 3.21Å; Y727-M746 HydrophobicContact CE2-CE 3.92Å; Y727-F751 HydrophobicContact CD1-CD2 4.48Å; Y727-F751 HydrophobicContact CD2-CD2 4.23Å; Y727-F751 HydrophobicContact CE2-CD2 4.43Å; Y727-F751 HydrophobicContact CG-CD2 4.25Å |
| 728 | L | 86 | Confident | 83.4 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.089 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 174.7 | -167.2 | 72.8 | 0 | 0 | 0 | 111.3 | I714 F717 V718 P721 I724 S725 L726 R731 A732 | I714-L728 HydrophobicContact CD1-CD2 4.49Å; I714-L728 HydrophobicContact CG2-CD2 3.82Å; I714-L728 HydrophobicContact CG2-CG 4.46Å; F717-L728 HydrophobicContact CD2-CD1 4.35Å; F717-L728 HydrophobicContact CE2-CD1 3.64Å; F717-L728 HydrophobicContact CE2-CG 4.32Å; F717-L728 HydrophobicContact CZ-CD1 4.46Å; V718-L728 HydrophobicContact CB-CD1 4.24Å; V718-L728 HydrophobicContact CG2-CD1 3.57Å; P721-L728 HydrophobicContact CG-CD2 4.23Å; I724-L728 HydrophobicContact CG2-CD2 4.46Å; S725-L728 VanDerWaalsContact O-CB 3.29Å; S725-L728 WeakPolarHBondContact O-CB 3.15Å; S725-L728 PolarHBondContact O-N 3.4Å; S725-L728 PolarHBondContact OG-N 3.47Å; L726-L728 VanDerWaalsContact C-N 3.3Å; L726-L728 PolarHBondContact O-N 3.11Å; L728-R731 PolarHBondContact O-N 3.21Å; L728-A732 WeakPolarHBondContact O-CB 3.3Å; L728-A732 PolarHBondContact O-N 2.93Å |
| 729 | I | 88 | Confident | 82.9 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.8 | -40.3 | 175.5 | -63.5 | 151.5 | 0 | 0 | 0 | 111.1 | Y697 I724 S725 L726 R731 A732 L733 Y745 L776 | Y697-I729 HydrophobicContact CD1-CD1 4.06Å; Y697-I729 HydrophobicContact CD2-CD1 3.3Å; Y697-I729 HydrophobicContact CE1-CD1 4.25Å; Y697-I729 HydrophobicContact CE2-CD1 3.53Å; Y697-I729 HydrophobicContact CG-CD1 3.6Å; I724-I729 HydrophobicContact CG2-CD1 3.73Å; I724-I729 HydrophobicContact CG2-CG1 3.94Å; S725-I729 PolarHBondContact O-N 2.8Å; L726-I729 HydrophobicContact CD2-CD1 4.13Å; L726-I729 PolarHBondContact O-N 3.19Å; I729-R731 VanDerWaalsContact C-N 3.34Å; I729-R731 PolarHBondContact O-N 3.29Å; I729-A732 WeakPolarHBondContact O-CB 3.42Å; I729-A732 PolarHBondContact O-N 3.42Å; I729-L733 HydrophobicContact CG2-CD1 4.29Å; I729-L733 WeakPolarHBondContact O-CG 3.25Å; I729-L733 PolarHBondContact O-N 3.47Å; I729-Y745 HydrophobicContact CB-CD2 4.47Å; I729-Y745 HydrophobicContact CG2-CD2 3.95Å; I729-Y745 HydrophobicContact CG2-CE2 3.92Å; I729-L776 HydrophobicContact CG2-CD1 3.88Å |
| 730 | G | 87.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L726 Y727 L733 R734 P743 | L726-G730 PolarHBondContact O-N 3.15Å; Y727-G730 PolarHBondContact O-N 3.46Å; G730-L733 PolarHBondContact O-N 2.98Å; G730-R734 PolarHBondContact O-N 3.04Å; G730-P743 VanDerWaalsContact O-CG 3.3Å; G730-P743 WeakPolarHBondContact O-CG 3.36Å |
| 731 | R | 85.9 | Confident | 82.8 | Confident | 99 Ų | 99 | 54 Ų | 54 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63 | -47 | 172.2 | -175.3 | 175.8 | 176.9 | -168.5 | -3.6 | 111.3 | F717 Y727 L728 I729 L733 R734 E735 | F717-R731 HydrophobicContact CD2-CG 4.39Å; F717-R731 HydrophobicContact CE2-CB 4.31Å; F717-R731 HydrophobicContact CE2-CG 3.97Å; F717-R731 HydrophobicContact CZ-CG 4.46Å; Y727-R731 WeakPolarHBondContact O-CB 3.39Å; Y727-R731 PolarHBondContact O-N 3.21Å; L728-R731 PolarHBondContact O-N 3.21Å; I729-R731 VanDerWaalsContact C-N 3.34Å; I729-R731 PolarHBondContact O-N 3.29Å; R731-L733 VanDerWaalsContact C-N 3.33Å; R731-L733 PolarHBondContact O-N 2.71Å; R731-R734 PolarHBondContact O-N 3.13Å; R731-R734 VanDerWaalsContact O-N 3.12Å; R731-E735 WeakPolarHBondContact O-CG 3.48Å; R731-E735 PolarHBondContact O-N 3.48Å |
| 732 | A | 87.3 | Confident | 82.9 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55 | -47.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V713 F717 L728 I729 R734 E735 L736 | V713-A732 HydrophobicContact CG1-CB 3.84Å; F717-A732 HydrophobicContact CE1-CB 4.42Å; F717-A732 HydrophobicContact CZ-CB 3.98Å; L728-A732 WeakPolarHBondContact O-CB 3.3Å; L728-A732 PolarHBondContact O-N 2.93Å; I729-A732 WeakPolarHBondContact O-CB 3.42Å; I729-A732 PolarHBondContact O-N 3.42Å; A732-R734 PolarHBondContact O-N 3.28Å; A732-E735 PolarHBondContact O-N 2.85Å; A732-L736 WeakPolarHBondContact O-CB 3.29Å; A732-L736 VanDerWaalsContact O-CG 3.27Å; A732-L736 WeakPolarHBondContact O-CG 3.09Å; A732-L736 PolarHBondContact O-N 3.33Å |
| 733 | L | 89.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -37.7 | 176.9 | -71.1 | 173.2 | 0 | 0 | 0 | 112.5 | I729 G730 R731 L736 V737 Y741 Y745 I772 L776 F799 L803 | I729-L733 HydrophobicContact CG2-CD1 4.29Å; I729-L733 WeakPolarHBondContact O-CG 3.25Å; I729-L733 PolarHBondContact O-N 3.47Å; G730-L733 PolarHBondContact O-N 2.98Å; R731-L733 VanDerWaalsContact C-N 3.33Å; R731-L733 PolarHBondContact O-N 2.71Å; L733-L736 PolarHBondContact O-N 2.72Å; L733-V737 VanDerWaalsContact O-CB 3.24Å; L733-V737 WeakPolarHBondContact O-CB 3.45Å; L733-V737 WeakPolarHBondContact O-CG2 3.48Å; L733-V737 PolarHBondContact O-N 2.97Å; L733-Y741 HydrophobicContact CB-CE1 4.29Å; L733-Y745 HydrophobicContact CD1-CD2 3.85Å; L733-Y745 HydrophobicContact CD1-CE2 3.81Å; L733-I772 HydrophobicContact CD1-CG2 4.01Å; L733-I772 HydrophobicContact CD2-CG2 4.33Å; L733-L776 HydrophobicContact CD2-CD1 4.32Å; L733-L776 HydrophobicContact CD2-CD2 4.33Å; L733-F799 HydrophobicContact CD2-CZ 4.36Å; L733-L803 HydrophobicContact CD2-CD1 3.78Å; L733-L803 HydrophobicContact CD2-CD2 4.19Å |
| 734 | R | 87.8 | Confident | 82.9 | Confident | 102 Ų | 102 | 43.8 Ų | 43.8 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.4 | -41.4 | 177.2 | -165.4 | 173.2 | -174.8 | -170.7 | 0.9 | 112.5 | G730 R731 A732 G738 P743 M746 | G730-R734 PolarHBondContact O-N 3.04Å; R731-R734 PolarHBondContact O-N 3.13Å; R731-R734 VanDerWaalsContact O-N 3.12Å; A732-R734 PolarHBondContact O-N 3.28Å; R734-G738 PolarHBondContact O-N 2.59Å; R734-P743 HydrophobicContact CB-CG 3.8Å; R734-P743 HydrophobicContact CG-CG 4.38Å; R734-M746 HydrophobicContact CB-SD 4.07Å; R734-M746 VanDerWaalsContact CD-SD 3.55Å; R734-M746 HydrophobicContact CG-SD 4.44Å |
| 735 | E | 84.1 | Confident | 82.8 | Confident | 135 Ų | 135 | 43.8 Ų | 43.8 | 63% | 0.631 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -68.7 | -39.2 | 175.9 | -62.8 | -55.9 | 150.2 | 0 | 0 | 111.8 | R731 A732 | R731-E735 WeakPolarHBondContact O-CG 3.48Å; R731-E735 PolarHBondContact O-N 3.48Å; A732-E735 PolarHBondContact O-N 2.85Å |
| 736 | L | 86 | Confident | 82.6 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.9 | -46.3 | 177.2 | -75.1 | 168.2 | 0 | 0 | 0 | 112.8 | V713 A732 L733 L803 R806 L807 | V713-L736 HydrophobicContact CG1-CD1 4.21Å; V713-L736 HydrophobicContact CG1-CG 4.3Å; V713-L736 HydrophobicContact CG2-CD1 4.22Å; V713-L736 HydrophobicContact CG2-CD2 3.93Å; V713-L736 HydrophobicContact CG2-CG 4.39Å; A732-L736 WeakPolarHBondContact O-CB 3.29Å; A732-L736 VanDerWaalsContact O-CG 3.27Å; A732-L736 WeakPolarHBondContact O-CG 3.09Å; A732-L736 PolarHBondContact O-N 3.33Å; L733-L736 PolarHBondContact O-N 2.72Å; L736-L803 HydrophobicContact CB-CD1 4.23Å; L736-L803 HydrophobicContact CD1-CD1 3.85Å; L736-R806 HydrophobicContact CB-CB 4.29Å; L736-R806 HydrophobicContact CD2-CB 3.85Å; L736-R806 VanDerWaalsContact O-CD 3.22Å; L736-R806 WeakPolarHBondContact O-CD 3.35Å; L736-R806 WeakPolarHBondContact O-CG 3.13Å; L736-L807 HydrophobicContact CD1-CD2 3.72Å; L736-L807 HydrophobicContact CD1-CG 4.42Å; L736-L807 HydrophobicContact CD2-CD2 4.32Å |
| 737 | V | 85.9 | Confident | 82 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -88.3 | -43.2 | -168.9 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | L733 Y741 F799 L802 L803 | L733-V737 VanDerWaalsContact O-CB 3.24Å; L733-V737 WeakPolarHBondContact O-CB 3.45Å; L733-V737 WeakPolarHBondContact O-CG2 3.48Å; L733-V737 PolarHBondContact O-N 2.97Å; V737-Y741 HydrophobicContact CB-CD1 4Å; V737-Y741 HydrophobicContact CB-CG 3.99Å; V737-Y741 HydrophobicContact CG1-CD1 4.08Å; V737-Y741 HydrophobicContact CG1-CD2 3.8Å; V737-Y741 HydrophobicContact CG1-CE2 4.5Å; V737-Y741 HydrophobicContact CG1-CG 3.56Å; V737-Y741 HydrophobicContact CG2-CD1 4.37Å; V737-F799 HydrophobicContact CG1-CE2 4.33Å; V737-F799 HydrophobicContact CG2-CE2 3.77Å; V737-F799 HydrophobicContact CG2-CZ 4.2Å; V737-L802 HydrophobicContact CG1-CD2 3.74Å; V737-L802 HydrophobicContact CG1-CG 4.38Å; V737-L803 HydrophobicContact CG2-CD1 4.45Å |
| 738 | G | 78.3 | Confident | 81.1 | Confident | 25 Ų | 25 | 47 Ų | 47 | 26% | 0.258 | 24% | 0.236 | S | C | . | . | trans | 128.8 | 170.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R734 Q740 Y741 | R734-G738 PolarHBondContact O-N 2.59Å; G738-Q740 PolarHBondContact O-N 2.73Å; G738-Y741 WeakPolarHBondContact O-CB 3.44Å; G738-Y741 PolarHBondContact O-N 2.98Å | ||
| 739 | R | 72.5 | Confident | 80.1 | Confident | 202 Ų | 202 | 50 Ų | 50 | 76% | 0.762 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -26 | -169.9 | -69.9 | -174.4 | 177.9 | -167.4 | -2 | 115.9 | Y741 | R739-Y741 VanDerWaalsContact C-N 3.27Š|
| 740 | Q | 72.5 | Confident | 79 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 36% | 0.355 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -28.6 | 175.5 | -66.9 | 175.5 | 12.5 | 0 | 0 | 111.3 | G738 C742 M860 | G738-Q740 PolarHBondContact O-N 2.73Å; Q740-C742 PolarHBondContact O-N 3Å; Q740-M860 HydrophobicContact CB-SD 4.49Å |
| 741 | Y | 81.7 | Confident | 77.7 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | trans | -71.5 | 122.1 | 174.7 | -173.9 | -102.8 | 0 | 0 | 0 | 110.1 | L733 V737 G738 R739 P743 F799 F857 M860 | L733-Y741 HydrophobicContact CB-CE1 4.29Å; V737-Y741 HydrophobicContact CB-CD1 4Å; V737-Y741 HydrophobicContact CB-CG 3.99Å; V737-Y741 HydrophobicContact CG1-CD1 4.08Å; V737-Y741 HydrophobicContact CG1-CD2 3.8Å; V737-Y741 HydrophobicContact CG1-CE2 4.5Å; V737-Y741 HydrophobicContact CG1-CG 3.56Å; V737-Y741 HydrophobicContact CG2-CD1 4.37Å; G738-Y741 WeakPolarHBondContact O-CB 3.44Å; G738-Y741 PolarHBondContact O-N 2.98Å; R739-Y741 VanDerWaalsContact C-N 3.27Å; Y741-P743 HydrophobicContact CD1-CB 4.32Å; Y741-P743 HydrophobicContact CD1-CG 3.78Å; Y741-P743 HydrophobicContact CE1-CB 3.77Å; Y741-P743 HydrophobicContact CE1-CG 3.71Å; Y741-P743 WeakPolarHBondContact O-CD 3.44Å; Y741-F799 HydrophobicContact CD2-CE2 4.26Å; Y741-F799 HydrophobicContact CE1-CE2 4.3Å; Y741-F799 HydrophobicContact CE2-CD2 4.01Å; Y741-F799 AromaticContact CE2-CE2 3.47Å; Y741-F799 HydrophobicContact CE2-CE2 3.47Å; Y741-F799 VanDerWaalsContact CE2-CE2 3.47Å; Y741-F799 HydrophobicContact CE2-CZ 4.39Å; Y741-F799 AromaticContact CZ-CE2 3.51Å; Y741-F799 WeakPolarHBondContact OH-CE2 3.45Å; Y741-F857 VanDerWaalsContact CE2-C 3.4Å; Y741-M860 HydrophobicContact CD2-SD 4.3Å | ||
| 742 | C | 80.7 | Confident | 76.2 | Confident | 70 Ų | 70 | 56 Ų | 56 | 47% | 0.473 | 28% | 0.282 | S | S | . | . | trans | -106.1 | 96.1 | 173.8 | -64.2 | 0 | 0 | 0 | 0 | 109.2 | Q740 G858 | Q740-C742 PolarHBondContact O-N 3Å; C742-G858 PolarHBondContact N-O 3Å; C742-G858 WeakPolarHBondContact O-CA 3.26Å | ||
| 743 | P | 78.1 | Confident | 74.8 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.071 | 29% | 0.288 | C | S | . | . | trans | -62.8 | 138.2 | -177.4 | -10.8 | 20.6 | 0 | 0 | 0 | 111.5 | G730 R734 Y741 Y745 M746 | G730-P743 VanDerWaalsContact O-CG 3.3Å; G730-P743 WeakPolarHBondContact O-CG 3.36Å; R734-P743 HydrophobicContact CB-CG 3.8Å; R734-P743 HydrophobicContact CG-CG 4.38Å; Y741-P743 HydrophobicContact CD1-CB 4.32Å; Y741-P743 HydrophobicContact CD1-CG 3.78Å; Y741-P743 HydrophobicContact CE1-CB 3.77Å; Y741-P743 HydrophobicContact CE1-CG 3.71Å; Y741-P743 WeakPolarHBondContact O-CD 3.44Å; P743-Y745 VanDerWaalsContact C-N 3.28Å; P743-Y745 PolarHBondContact O-N 3.01Å; P743-M746 HydrophobicContact CB-CG 4.21Å; P743-M746 HydrophobicContact CG-CG 4.01Å; P743-M746 HydrophobicContact CG-SD 4.05Å; P743-M746 PolarHBondContact O-N 2.73Å | ||
| 744 | T | 77.2 | Confident | 73.1 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -55.1 | -44.3 | 171.2 | 47.4 | 0 | 0 | 0 | 0 | 111.5 | M746 A747 F750 | T744-M746 PolarHBondContact O-N 3.13Å; T744-A747 VanDerWaalsContact O-CB 3.26Å; T744-A747 WeakPolarHBondContact O-CB 3.47Å; T744-A747 PolarHBondContact O-N 3.14Å; T744-F750 WeakPolarHBondContact O-CD2 3.29Å; T744-F750 WeakPolarHBondContact O-CE2 3.33Å |
| 745 | Y | 81 | Confident | 71.5 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -62.6 | -12.4 | -179.8 | -53 | -27.4 | 0 | 0 | 0 | 115.5 | L693 L726 I729 L733 P743 F750 F763 D769 I772 | L693-Y745 HydrophobicContact CD2-CE1 4.46Å; L726-Y745 WeakPolarHBondContact O-CB 3.34Å; I729-Y745 HydrophobicContact CB-CD2 4.47Å; I729-Y745 HydrophobicContact CG2-CD2 3.95Å; I729-Y745 HydrophobicContact CG2-CE2 3.92Å; L733-Y745 HydrophobicContact CD1-CD2 3.85Å; L733-Y745 HydrophobicContact CD1-CE2 3.81Å; P743-Y745 VanDerWaalsContact C-N 3.28Å; P743-Y745 PolarHBondContact O-N 3.01Å; Y745-F750 HydrophobicContact CD1-CE2 4.41Å; Y745-F750 HydrophobicContact CD1-CZ 4.5Å; Y745-F763 HydrophobicContact CD1-CE1 4.27Å; Y745-F763 AromaticContact CE1-CE1 3.89Å; Y745-F763 HydrophobicContact CE1-CE1 3.89Å; Y745-D769 VanDerWaalsContact CE1-OD1 3.3Å; Y745-D769 WeakPolarHBondContact CE1-OD1 3.13Å; Y745-D769 WeakPolarHBondContact OH-CA 3.25Å; Y745-D769 WeakPolarHBondContact OH-CB 3.37Å; Y745-D769 PolarHBondContact OH-OD1 2.75Å; Y745-I772 HydrophobicContact CE2-CG2 4.49Å |
| 746 | M | 76.6 | Confident | 70.1 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 23% | 0.232 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -91.4 | 1.1 | 174.1 | -69.4 | -163.2 | 76.7 | 0 | 0 | 113.5 | Y727 R734 P743 T744 | Y727-M746 HydrophobicContact CE2-CE 3.92Å; R734-M746 HydrophobicContact CB-SD 4.07Å; R734-M746 VanDerWaalsContact CD-SD 3.55Å; R734-M746 HydrophobicContact CG-SD 4.44Å; P743-M746 HydrophobicContact CB-CG 4.21Å; P743-M746 HydrophobicContact CG-CG 4.01Å; P743-M746 HydrophobicContact CG-SD 4.05Å; P743-M746 PolarHBondContact O-N 2.73Å; T744-M746 PolarHBondContact O-N 3.13Å |
| 747 | A | 72 | Confident | 68.3 | Low | 27 Ų | 27 | 59.4 Ų | 59.4 | 22% | 0.223 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -66.1 | 148.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T744 H749 F750 | T744-A747 VanDerWaalsContact O-CB 3.26Å; T744-A747 WeakPolarHBondContact O-CB 3.47Å; T744-A747 PolarHBondContact O-N 3.14Å; A747-H749 WeakPolarHBondContact CB-CE1 3.45Å; A747-H749 PolarHBondContact O-N 3.31Å; A747-F750 HydrophobicContact CB-CD2 4.4Å; A747-F750 PolarHBondContact O-N 3.4Å; A747-F750 VanDerWaalsContact O-N 3.08Å |
| 748 | P | 65.3 | Low | 66.3 | Low | 105 Ų | 105 | 64.9 Ų | 64.9 | 68% | 0.682 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -56.4 | -26.5 | -171.7 | -27.7 | 35 | 0 | 0 | 0 | 115.1 | F751 | P748-F751 PolarHBondContact O-N 3.31Å |
| 749 | H | 65.6 | Low | 65 | Low | 80 Ų | 80 | 71.9 Ų | 71.9 | 37% | 0.37 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.4 | -35.3 | -179.6 | 55 | -101.3 | 0 | 0 | 0 | 113.2 | A747 F751 L752 Q761 | A747-H749 WeakPolarHBondContact CB-CE1 3.45Å; A747-H749 PolarHBondContact O-N 3.31Å; H749-F751 VanDerWaalsContact C-N 3.31Å; H749-F751 PolarHBondContact O-N 2.95Å; H749-L752 PolarHBondContact O-N 2.97Å; H749-Q761 PolarHBondContact CD2-OE1 3.01Å; H749-Q761 VanDerWaalsContact CD2-OE1 3.31Å |
| 750 | F | 64.2 | Low | 64.1 | Low | 14 Ų | 14 | 65.7 Ų | 65.7 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.4 | -25.2 | 176.8 | -69.4 | -65.4 | 0 | 0 | 0 | 113.4 | A690 L726 T744 Y745 A747 I753 F763 | A690-F750 HydrophobicContact CB-CD1 4.45Å; A690-F750 HydrophobicContact CB-CE1 4.36Å; L726-F750 HydrophobicContact CD1-CD1 3.74Å; L726-F750 HydrophobicContact CD1-CE1 3.95Å; T744-F750 WeakPolarHBondContact O-CD2 3.29Å; T744-F750 WeakPolarHBondContact O-CE2 3.33Å; Y745-F750 HydrophobicContact CD1-CE2 4.41Å; Y745-F750 HydrophobicContact CD1-CZ 4.5Å; A747-F750 HydrophobicContact CB-CD2 4.4Å; A747-F750 PolarHBondContact O-N 3.4Å; A747-F750 VanDerWaalsContact O-N 3.08Å; F750-I753 HydrophobicContact CD1-CD1 4.03Å; F750-F763 HydrophobicContact CE1-CD1 4.3Å; F750-F763 AromaticContact CE1-CE1 3.48Å; F750-F763 HydrophobicContact CE1-CE1 3.48Å; F750-F763 VanDerWaalsContact CE1-CE1 3.48Å; F750-F763 AromaticContact CE1-CZ 3.79Å; F750-F763 HydrophobicContact CE1-CZ 3.79Å; F750-F763 AromaticContact CZ-CD1 3.93Å; F750-F763 HydrophobicContact CZ-CD1 3.93Å; F750-F763 AromaticContact CZ-CE1 3.4Å; F750-F763 HydrophobicContact CZ-CE1 3.4Å; F750-F763 VanDerWaalsContact CZ-CE1 3.4Å; F750-F763 HydrophobicContact CZ-CZ 4.2Å |
| 751 | F | 58.8 | Low | 63.4 | Low | 111 Ų | 111 | 65.6 Ų | 65.6 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -73.4 | -26.8 | 176.4 | -174.1 | -95.1 | 0 | 0 | 0 | 112.8 | Y727 P748 H749 I753 T754 | Y727-F751 HydrophobicContact CD1-CD2 4.48Å; Y727-F751 HydrophobicContact CD2-CD2 4.23Å; Y727-F751 HydrophobicContact CE2-CD2 4.43Å; Y727-F751 HydrophobicContact CG-CD2 4.25Å; P748-F751 PolarHBondContact O-N 3.31Å; H749-F751 VanDerWaalsContact C-N 3.31Å; H749-F751 PolarHBondContact O-N 2.95Å; F751-I753 VanDerWaalsContact C-N 3.33Å; F751-T754 PolarHBondContact O-OG1 3.5Å |
| 752 | L | 55.8 | Low | 62.4 | Low | 99 Ų | 99 | 70.4 Ų | 70.4 | 52% | 0.518 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -78.9 | -15.4 | 177.7 | -71.3 | 163 | 0 | 0 | 0 | 113.5 | H749 T754 T755 | H749-L752 PolarHBondContact O-N 2.97Å; L752-T754 VanDerWaalsContact C-N 3.35Å; L752-T755 PolarHBondContact O-N 3.02Å; L752-T755 PolarHBondContact O-OG1 3.46Å |
| 753 | I | 56.9 | Low | 61.8 | Low | 26 Ų | 26 | 67.7 Ų | 67.7 | 13% | 0.133 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.7 | -36.3 | 177.1 | -56.7 | -178.4 | 0 | 0 | 0 | 110 | A690 E691 F750 F751 T755 G756 | A690-I753 HydrophobicContact CB-CD1 3.36Å; E691-I753 HydrophobicContact CG-CG2 4.43Å; F750-I753 HydrophobicContact CD1-CD1 4.03Å; F751-I753 VanDerWaalsContact C-N 3.33Å; I753-T755 PolarHBondContact O-N 2.76Å; I753-T755 VanDerWaalsContact O-N 3.15Å; I753-G756 PolarHBondContact O-N 3.13Å |
| 754 | T | 54.7 | Low | 61.3 | Low | 78 Ų | 78 | 75.2 Ų | 75.2 | 48% | 0.479 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -7 | 171.3 | 30.2 | 0 | 0 | 0 | 0 | 114.8 | F751 L752 | F751-T754 PolarHBondContact O-OG1 3.5Å; L752-T754 VanDerWaalsContact C-N 3.35Å |
| 755 | T | 54.6 | Low | 61.2 | Low | 93 Ų | 93 | 74.6 Ų | 74.6 | 57% | 0.571 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 18.8 | 177.2 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | L752 I753 A757 | L752-T755 PolarHBondContact O-N 3.02Å; L752-T755 PolarHBondContact O-OG1 3.46Å; I753-T755 PolarHBondContact O-N 2.76Å; I753-T755 VanDerWaalsContact O-N 3.15Å; T755-A757 PolarHBondContact O-N 2.82Å |
| 756 | G | 54.2 | Low | 61.4 | Low | 68 Ų | 68 | 75.4 Ų | 75.4 | 70% | 0.701 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 19.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | I753 P758 | I753-G756 PolarHBondContact O-N 3.13Å; G756-P758 WeakPolarHBondContact O-CD 3.39Å |
| 757 | A | 48 | Very low | 61.8 | Low | 60 Ų | 60 | 73.7 Ų | 73.7 | 50% | 0.496 | 43% | 0.426 | S | S | . | . | trans | -84.4 | 113 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T755 K759 | T755-A757 PolarHBondContact O-N 2.82Å; A757-K759 PolarHBondContact O-N 2.7Å | ||
| 758 | P | 43.9 | Very low | 62.6 | Low | 118 Ų | 118 | 72.6 Ų | 72.6 | 77% | 0.766 | 42% | 0.417 | S | S | * | . | trans | -83.9 | 89.7 | -172.1 | 33.6 | -34.6 | 0 | 0 | 0 | 111.4 | G756 | G756-P758 WeakPolarHBondContact O-CD 3.39Š| ||
| 759 | K | 50.3 | Low | 63.7 | Low | 173 Ų | 173 | 68.1 Ų | 68.1 | 75% | 0.752 | 39% | 0.387 | S | S | * | . | trans | -137.1 | 113.6 | 157.2 | -71 | -169.3 | 177.4 | 178.9 | 0 | 108.9 | A757 Q761 | A757-K759 PolarHBondContact O-N 2.7Å; K759-Q761 VanDerWaalsContact C-N 3.3Å; K759-Q761 PolarHBondContact O-N 2.82Å | ||
| 760 | A | 53.3 | Low | 65 | Low | 71 Ų | 71 | 64.3 Ų | 64.3 | 59% | 0.587 | 37% | 0.37 | S | S | * | . | trans | -61.4 | 90.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | T689 I762 | T689-A760 HydrophobicContact CG2-CB 4.1Å; A760-I762 PolarHBondContact O-N 3.07Å | ||
| 761 | Q | 58.1 | Low | 66.3 | Low | 74 Ų | 74 | 63.7 Ų | 63.7 | 35% | 0.346 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -74 | 116.4 | 174.8 | -73.9 | -179 | 2.2 | 0 | 0 | 108.6 | H749 K759 | H749-Q761 PolarHBondContact CD2-OE1 3.01Å; H749-Q761 VanDerWaalsContact CD2-OE1 3.31Å; K759-Q761 VanDerWaalsContact C-N 3.3Å; K759-Q761 PolarHBondContact O-N 2.82Å |
| 762 | I | 60.1 | Low | 67.9 | Low | 103 Ų | 103 | 58.5 Ų | 58.5 | 53% | 0.528 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -78.9 | 130.4 | 174.6 | -66.9 | 167.7 | 0 | 0 | 0 | 107.8 | S685 A760 | S685-I762 VanDerWaalsContact O-CG2 3.25Å; S685-I762 WeakPolarHBondContact O-CG2 3.42Å; A760-I762 PolarHBondContact O-N 3.07Å |
| 763 | F | 68.9 | Low | 69.5 | Low | 14 Ų | 14 | 53.8 Ų | 53.8 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 138.8 | 172.5 | -68.6 | -88.8 | 0 | 0 | 0 | 110.8 | L688 A690 L693 L726 Y745 F750 N765 D769 | L688-F763 HydrophobicContact CB-CD2 4.37Å; L688-F763 HydrophobicContact CD2-CD2 3.75Å; L688-F763 HydrophobicContact CD2-CE2 4.13Å; L688-F763 HydrophobicContact CD2-CG 4.34Å; L688-F763 HydrophobicContact CG-CD2 3.85Å; L688-F763 HydrophobicContact CG-CE2 4.05Å; L688-F763 WeakPolarHBondContact O-CD2 3.39Å; A690-F763 HydrophobicContact CB-CE2 4.42Å; A690-F763 HydrophobicContact CB-CZ 4.36Å; L693-F763 HydrophobicContact CB-CE2 4.3Å; L693-F763 HydrophobicContact CB-CZ 4.49Å; L693-F763 HydrophobicContact CD2-CE1 4.29Å; L693-F763 HydrophobicContact CD2-CE2 3.98Å; L693-F763 HydrophobicContact CD2-CZ 3.6Å; L726-F763 HydrophobicContact CD1-CE1 4.48Å; L726-F763 HydrophobicContact CD1-CZ 3.77Å; Y745-F763 HydrophobicContact CD1-CE1 4.27Å; Y745-F763 AromaticContact CE1-CE1 3.89Å; Y745-F763 HydrophobicContact CE1-CE1 3.89Å; F750-F763 HydrophobicContact CE1-CD1 4.3Å; F750-F763 AromaticContact CE1-CE1 3.48Å; F750-F763 HydrophobicContact CE1-CE1 3.48Å; F750-F763 VanDerWaalsContact CE1-CE1 3.48Å; F750-F763 AromaticContact CE1-CZ 3.79Å; F750-F763 HydrophobicContact CE1-CZ 3.79Å; F750-F763 AromaticContact CZ-CD1 3.93Å; F750-F763 HydrophobicContact CZ-CD1 3.93Å; F750-F763 AromaticContact CZ-CE1 3.4Å; F750-F763 HydrophobicContact CZ-CE1 3.4Å; F750-F763 VanDerWaalsContact CZ-CE1 3.4Å; F750-F763 HydrophobicContact CZ-CZ 4.2Å; F763-N765 PolarHBondContact O-N 3.24Å; F763-D769 WeakPolarHBondContact CB-OD2 3.23Å; F763-D769 VanDerWaalsContact CD1-OD2 3.27Å; F763-D769 WeakPolarHBondContact CD1-OD2 3.45Å; F763-D769 WeakPolarHBondContact CG-OD2 3.16Å |
| 764 | E | 67 | Low | 71.2 | Confident | 169 Ų | 169 | 52.6 Ų | 52.6 | 79% | 0.79 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -61 | -31.5 | 176.4 | -66.6 | -175.6 | 168.9 | 0 | 0 | 112.4 | ||
| 765 | N | 76 | Confident | 72.9 | Confident | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.193 | 29% | 0.291 | C | S | . | . | trans | -143 | 69.3 | -173.5 | -90.2 | -59.6 | 0 | 0 | 0 | 112 | F763 A767 T768 Q791 L856 | F763-N765 PolarHBondContact O-N 3.24Å; N765-A767 PolarHBondContact O-N 3.28Å; N765-A767 VanDerWaalsContact O-N 3.07Å; N765-T768 WeakPolarHBondContact O-CB 3.34Å; N765-T768 PolarHBondContact O-N 2.86Å; N765-Q791 PolarHBondContact ND2-OE1 3.23Å; N765-Q791 PolarHBondContact OD1-OE1 3.43Å; N765-L856 HydrophobicContact CB-CD1 4.22Å; N765-L856 HydrophobicContact CB-CD2 3.92Å | ||
| 766 | P | 84.7 | Confident | 74.6 | Confident | 17 Ų | 17 | 44.7 Ų | 44.7 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.8 | -24.4 | -170.2 | 27.5 | -38.1 | 0 | 0 | 0 | 114.2 | L684 L688 T768 D769 L770 | L684-P766 HydrophobicContact CB-CB 4.13Å; L684-P766 HydrophobicContact CB-CG 3.74Å; L688-P766 HydrophobicContact CB-CB 3.83Å; L688-P766 HydrophobicContact CD2-CB 3.64Å; L688-P766 HydrophobicContact CG-CB 4.39Å; P766-T768 VanDerWaalsContact C-N 3.3Å; P766-T768 PolarHBondContact O-N 3.21Å; P766-D769 PolarHBondContact O-N 3Å; P766-L770 WeakPolarHBondContact O-CB 3.2Å; P766-L770 WeakPolarHBondContact O-CG 3.27Å; P766-L770 PolarHBondContact O-N 2.81Å |
| 767 | A | 86 | Confident | 76.1 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.5 | -32.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L684 N765 F771 Q789 | L684-A767 HydrophobicContact CD1-CB 4.45Å; N765-A767 PolarHBondContact O-N 3.28Å; N765-A767 VanDerWaalsContact O-N 3.07Å; A767-F771 VanDerWaalsContact O-CB 3.23Å; A767-F771 WeakPolarHBondContact O-CB 3.46Å; A767-F771 PolarHBondContact O-N 3.04Å; A767-Q789 HydrophobicContact CB-CB 4Å |
| 768 | T | 88.5 | Confident | 77.9 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.9 | -39.7 | 175.6 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | N765 P766 F771 I772 F857 | N765-T768 WeakPolarHBondContact O-CB 3.34Å; N765-T768 PolarHBondContact O-N 2.86Å; P766-T768 VanDerWaalsContact C-N 3.3Å; P766-T768 PolarHBondContact O-N 3.21Å; T768-F771 WeakPolarHBondContact O-CB 3.18Å; T768-F771 PolarHBondContact O-N 3.08Å; T768-I772 HydrophobicContact CG2-CD1 4.34Å; T768-I772 VanDerWaalsContact O-CG1 3.3Å; T768-I772 WeakPolarHBondContact O-CG1 3.3Å; T768-I772 PolarHBondContact O-N 2.89Å; T768-F857 HydrophobicContact CG2-CE1 4.16Å; T768-F857 HydrophobicContact CG2-CZ 3.92Å |
| 769 | D | 89.1 | Confident | 80 | Confident | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.064 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.1 | -40.2 | 178 | -54.5 | -59.3 | 0 | 0 | 0 | 111.3 | L688 L693 Y745 F763 P766 I772 W773 | L688-D769 HydrophobicContact CD2-CB 3.84Å; L693-D769 HydrophobicContact CD2-CB 4.2Å; Y745-D769 VanDerWaalsContact CE1-OD1 3.3Å; Y745-D769 WeakPolarHBondContact CE1-OD1 3.13Å; Y745-D769 WeakPolarHBondContact OH-CA 3.25Å; Y745-D769 WeakPolarHBondContact OH-CB 3.37Å; Y745-D769 PolarHBondContact OH-OD1 2.75Å; F763-D769 WeakPolarHBondContact CB-OD2 3.23Å; F763-D769 VanDerWaalsContact CD1-OD2 3.27Å; F763-D769 WeakPolarHBondContact CD1-OD2 3.45Å; F763-D769 WeakPolarHBondContact CG-OD2 3.16Å; P766-D769 PolarHBondContact O-N 3Å; D769-I772 PolarHBondContact O-N 2.79Å; D769-W773 PolarHBondContact O-N 3.3Å |
| 770 | L | 91.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.9 | -34 | 171.3 | -75.1 | 171.2 | 0 | 0 | 0 | 113.3 | L684 L688 L696 P766 W773 A774 F786 | L684-L770 HydrophobicContact CD1-CD1 4.41Å; L684-L770 HydrophobicContact CD2-CD1 3.95Å; L688-L770 HydrophobicContact CD1-CD2 3.96Å; L688-L770 HydrophobicContact CD1-CG 4.18Å; L688-L770 HydrophobicContact CD2-CG 4.16Å; L696-L770 HydrophobicContact CD1-CD2 4.22Å; P766-L770 WeakPolarHBondContact O-CB 3.2Å; P766-L770 WeakPolarHBondContact O-CG 3.27Å; P766-L770 PolarHBondContact O-N 2.81Å; L770-W773 HydrophobicContact CD2-CE3 4.21Å; L770-W773 PolarHBondContact O-N 2.92Å; L770-A774 WeakPolarHBondContact O-CB 3.5Å; L770-A774 PolarHBondContact O-N 3.39Å; L770-F786 HydrophobicContact CB-CD1 4.21Å; L770-F786 HydrophobicContact CB-CD2 4.07Å; L770-F786 HydrophobicContact CB-CE1 4.1Å; L770-F786 HydrophobicContact CB-CE2 3.95Å; L770-F786 HydrophobicContact CB-CG 4.22Å; L770-F786 HydrophobicContact CB-CZ 3.98Å; L770-F786 HydrophobicContact CD1-CE1 3.88Å; L770-F786 HydrophobicContact CD1-CZ 3.89Å; L770-F786 HydrophobicContact CG-CZ 4.42Å |
| 771 | F | 92.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 170.9 | 175 | -116.3 | 0 | 0 | 0 | 111.4 | A767 T768 A774 L775 A783 F786 W787 V790 A796 A800 F827 | A767-F771 VanDerWaalsContact O-CB 3.23Å; A767-F771 WeakPolarHBondContact O-CB 3.46Å; A767-F771 PolarHBondContact O-N 3.04Å; T768-F771 WeakPolarHBondContact O-CB 3.18Å; T768-F771 PolarHBondContact O-N 3.08Å; F771-A774 PolarHBondContact O-N 3.02Å; F771-L775 HydrophobicContact CD1-CD1 4.05Å; F771-L775 HydrophobicContact CD2-CD1 4.44Å; F771-L775 HydrophobicContact CE1-CD1 3.68Å; F771-L775 HydrophobicContact CE2-CD1 4.08Å; F771-L775 HydrophobicContact CE2-CD2 4.49Å; F771-L775 HydrophobicContact CE2-CG 4.28Å; F771-L775 HydrophobicContact CG-CD1 4.43Å; F771-L775 HydrophobicContact CZ-CD1 3.72Å; F771-L775 HydrophobicContact CZ-CG 4.39Å; F771-L775 WeakPolarHBondContact O-CG 3.46Å; F771-L775 PolarHBondContact O-N 2.87Å; F771-A783 HydrophobicContact CD2-CB 4.26Å; F771-A783 VanDerWaalsContact CD2-O 3.26Å; F771-A783 WeakPolarHBondContact CD2-O 3.47Å; F771-A783 HydrophobicContact CE2-CB 4.3Å; F771-A783 WeakPolarHBondContact CE2-O 3.37Å; F771-F786 HydrophobicContact CB-CB 3.95Å; F771-F786 HydrophobicContact CD2-CB 4.4Å; F771-W787 HydrophobicContact CD2-CB 4.16Å; F771-W787 HydrophobicContact CE2-CB 3.73Å; F771-W787 HydrophobicContact CE2-CG 4.3Å; F771-W787 HydrophobicContact CZ-CB 4.33Å; F771-W787 AromaticContact CZ-CD1 3.98Å; F771-W787 HydrophobicContact CZ-CG 4.45Å; F771-V790 HydrophobicContact CB-CG2 4.09Å; F771-V790 HydrophobicContact CD1-CG2 4.32Å; F771-V790 HydrophobicContact CG-CG2 4.21Å; F771-A796 HydrophobicContact CE1-CB 3.93Å; F771-A796 HydrophobicContact CZ-CB 4.48Å; F771-A800 HydrophobicContact CE1-CB 4.25Å; F771-A800 HydrophobicContact CZ-CB 3.79Å; F771-F827 HydrophobicContact CE2-CE1 4.06Å; F771-F827 AromaticContact CE2-CZ 3.83Å; F771-F827 HydrophobicContact CE2-CZ 3.83Å; F771-F827 HydrophobicContact CZ-CE1 4.06Å; F771-F827 HydrophobicContact CZ-CZ 4.09Å |
| 772 | I | 91 | Very high | 84.8 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64 | -41.9 | 175.4 | -66.3 | 167.5 | 0 | 0 | 0 | 110.9 | L733 Y745 T768 D769 L775 L776 F799 | L733-I772 HydrophobicContact CD1-CG2 4.01Å; L733-I772 HydrophobicContact CD2-CG2 4.33Å; Y745-I772 HydrophobicContact CE2-CG2 4.49Å; T768-I772 HydrophobicContact CG2-CD1 4.34Å; T768-I772 VanDerWaalsContact O-CG1 3.3Å; T768-I772 WeakPolarHBondContact O-CG1 3.3Å; T768-I772 PolarHBondContact O-N 2.89Å; D769-I772 PolarHBondContact O-N 2.79Å; I772-L775 PolarHBondContact O-N 3.5Å; I772-L776 HydrophobicContact CG2-CD1 4.01Å; I772-L776 HydrophobicContact CG2-CG 4.3Å; I772-L776 WeakPolarHBondContact O-CB 3.17Å; I772-L776 VanDerWaalsContact O-CG 3.31Å; I772-L776 WeakPolarHBondContact O-CG 3.22Å; I772-L776 PolarHBondContact O-N 2.92Å; I772-F799 HydrophobicContact CD1-CE1 4.34Å; I772-F799 HydrophobicContact CG1-CE1 4.02Å |
| 773 | W | 91 | Very high | 86.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 173.4 | 168.7 | 84 | 0 | 0 | 0 | 112.3 | L666 L693 L696 Y697 D769 L770 L775 L776 T777 L782 | L666-W773 HydrophobicContact CB-CH2 3.99Å; L666-W773 HydrophobicContact CB-CZ3 4.49Å; L666-W773 HydrophobicContact CD2-CH2 4.23Å; L666-W773 HydrophobicContact CD2-CZ3 3.88Å; L693-W773 HydrophobicContact CD1-CB 4.19Å; L693-W773 HydrophobicContact CD1-CG 4.45Å; L696-W773 PolarHBondContact O-NE1 3.41Å; Y697-W773 AromaticContact CD1-CD1 3.69Å; Y697-W773 HydrophobicContact CE1-CB 4.24Å; Y697-W773 AromaticContact CE1-CD1 3.62Å; Y697-W773 HydrophobicContact CE1-CG 4.3Å; Y697-W773 HydrophobicContact CE2-CB 4.33Å; Y697-W773 AromaticContact CG-CD1 3.96Å; Y697-W773 AromaticContact CZ-CD1 3.82Å; Y697-W773 VanDerWaalsContact OH-CA 3.31Å; Y697-W773 WeakPolarHBondContact OH-CA 3.27Å; Y697-W773 PolarHBondContact OH-N 2.81Å; D769-W773 PolarHBondContact O-N 3.3Å; L770-W773 HydrophobicContact CD2-CE3 4.21Å; L770-W773 PolarHBondContact O-N 2.92Å; W773-L775 VanDerWaalsContact C-N 3.32Å; W773-L775 PolarHBondContact O-N 2.98Å; W773-L776 PolarHBondContact O-N 2.86Å; W773-T777 WeakPolarHBondContact O-CB 3.44Å; W773-T777 WeakPolarHBondContact O-CG2 3.41Å; W773-T777 PolarHBondContact O-N 3.45Å; W773-T777 PolarHBondContact O-OG1 2.81Å; W773-L782 HydrophobicContact CH2-CD1 4.34Å; W773-L782 HydrophobicContact CZ3-CD1 4.11Å |
| 774 | A | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.9 | -35.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L770 F771 E778 R779 L782 A783 F786 | L770-A774 WeakPolarHBondContact O-CB 3.5Å; L770-A774 PolarHBondContact O-N 3.39Å; F771-A774 PolarHBondContact O-N 3.02Å; A774-E778 PolarHBondContact O-N 2.88Å; A774-R779 HydrophobicContact CB-CB 4.34Å; A774-R779 PolarHBondContact O-N 2.84Å; A774-L782 HydrophobicContact CB-CB 4.06Å; A774-A783 HydrophobicContact CB-CB 3.79Å; A774-F786 HydrophobicContact CB-CD2 4.41Å |
| 775 | L | 90.9 | Very high | 88.3 | Confident | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.4 | -44.3 | 172.8 | -71.5 | 172.1 | 0 | 0 | 0 | 112.8 | F771 I772 W773 T777 E778 A783 A800 L803 L804 Y823 F827 | F771-L775 HydrophobicContact CD1-CD1 4.05Å; F771-L775 HydrophobicContact CD2-CD1 4.44Å; F771-L775 HydrophobicContact CE1-CD1 3.68Å; F771-L775 HydrophobicContact CE2-CD1 4.08Å; F771-L775 HydrophobicContact CE2-CD2 4.49Å; F771-L775 HydrophobicContact CE2-CG 4.28Å; F771-L775 HydrophobicContact CG-CD1 4.43Å; F771-L775 HydrophobicContact CZ-CD1 3.72Å; F771-L775 HydrophobicContact CZ-CG 4.39Å; F771-L775 WeakPolarHBondContact O-CG 3.46Å; F771-L775 PolarHBondContact O-N 2.87Å; I772-L775 PolarHBondContact O-N 3.5Å; W773-L775 VanDerWaalsContact C-N 3.32Å; W773-L775 PolarHBondContact O-N 2.98Å; L775-T777 VanDerWaalsContact C-N 3.27Å; L775-T777 PolarHBondContact O-N 3.32Å; L775-E778 PolarHBondContact O-N 2.82Å; L775-A783 HydrophobicContact CD2-CB 4.02Å; L775-A783 HydrophobicContact CG-CB 4.24Å; L775-A800 HydrophobicContact CD1-CB 3.68Å; L775-A800 HydrophobicContact CD2-CB 4.07Å; L775-L803 HydrophobicContact CB-CD2 4.24Å; L775-L803 HydrophobicContact CD1-CD2 4.3Å; L775-L804 HydrophobicContact CD2-CD1 4.1Å; L775-L804 HydrophobicContact CD2-CD2 4.32Å; L775-L804 HydrophobicContact CD2-CG 4.28Å; L775-Y823 HydrophobicContact CD2-CE1 4.09Å; L775-F827 HydrophobicContact CD2-CE2 3.79Å; L775-F827 HydrophobicContact CD2-CZ 4.31Å |
| 776 | L | 89.7 | Confident | 89 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.5 | -19.9 | 179.8 | -69.9 | -178.2 | 0 | 0 | 0 | 113.3 | Y697 L710 I729 L733 I772 W773 L803 L807 | Y697-L776 HydrophobicContact CE1-CB 4.24Å; Y697-L776 HydrophobicContact CE1-CD1 4Å; L710-L776 HydrophobicContact CD1-CB 4.49Å; L710-L776 HydrophobicContact CD1-CD1 4.28Å; L710-L776 HydrophobicContact CD1-CD2 4.3Å; L710-L776 HydrophobicContact CD2-CB 4.21Å; I729-L776 HydrophobicContact CG2-CD1 3.88Å; L733-L776 HydrophobicContact CD2-CD1 4.32Å; L733-L776 HydrophobicContact CD2-CD2 4.33Å; I772-L776 HydrophobicContact CG2-CD1 4.01Å; I772-L776 HydrophobicContact CG2-CG 4.3Å; I772-L776 WeakPolarHBondContact O-CB 3.17Å; I772-L776 VanDerWaalsContact O-CG 3.31Å; I772-L776 WeakPolarHBondContact O-CG 3.22Å; I772-L776 PolarHBondContact O-N 2.92Å; W773-L776 PolarHBondContact O-N 2.86Å; L776-L803 HydrophobicContact CD2-CD1 4.26Å; L776-L803 HydrophobicContact CD2-CD2 4.04Å; L776-L803 HydrophobicContact CD2-CG 4.46Å; L776-L803 HydrophobicContact CG-CD2 4.5Å; L776-L807 HydrophobicContact CD2-CD1 4Å; L776-L807 HydrophobicContact CD2-CD2 4.08Å |
| 777 | T | 86.8 | Confident | 89.3 | Confident | 9 Ų | 9 | 18.1 Ų | 18.1 | 6% | 0.055 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 12.5 | 179.5 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | S700 W773 L775 R779 | S700-T777 VanDerWaalsContact OG-CG2 3.28Å; S700-T777 WeakPolarHBondContact OG-CG2 3.43Å; W773-T777 WeakPolarHBondContact O-CB 3.44Å; W773-T777 WeakPolarHBondContact O-CG2 3.41Å; W773-T777 PolarHBondContact O-N 3.45Å; W773-T777 PolarHBondContact O-OG1 2.81Å; L775-T777 VanDerWaalsContact C-N 3.27Å; L775-T777 PolarHBondContact O-N 3.32Å; T777-R779 VanDerWaalsContact C-N 3.27Å; T777-R779 PolarHBondContact O-N 2.87Å; T777-R779 WeakPolarHBondContact OG1-CD 3.27Å; T777-R779 PolarHBondContact OG1-NE 3.2Å |
| 778 | E | 85.8 | Confident | 89.4 | Confident | 74 Ų | 74 | 18.9 Ų | 18.9 | 35% | 0.346 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 20.9 | 173.1 | -48.3 | -173 | -154.8 | 0 | 0 | 114.9 | E708 A774 L775 A780 M820 | E708-E778 PolarHBondContact N-OE1 3.34Å; A774-E778 PolarHBondContact O-N 2.88Å; L775-E778 PolarHBondContact O-N 2.82Å; E778-A780 PolarHBondContact O-N 3.15Å; E778-M820 HydrophobicContact CG-CE 3.8Å; E778-M820 WeakPolarHBondContact OE1-CE 3.41Å; E778-M820 VanDerWaalsContact OE2-CE 3.28Å; E778-M820 WeakPolarHBondContact OE2-CE 3.22Å |
| 779 | R | 87.5 | Confident | 89.3 | Confident | 25 Ų | 25 | 21.4 Ų | 21.4 | 9% | 0.094 | 11% | 0.113 | C | C | . | . | trans | -91.4 | 75.3 | -174.9 | -62.5 | 173.7 | -173.7 | -119.5 | -11.6 | 112.5 | L666 L667 A774 T777 N781 L782 A783 | L666-R779 PolarHBondContact O-NH1 3.2Å; L667-R779 VanDerWaalsContact CA-NH1 3.34Å; L667-R779 PolarHBondContact O-NH1 3.43Å; A774-R779 HydrophobicContact CB-CB 4.34Å; A774-R779 PolarHBondContact O-N 2.84Å; T777-R779 VanDerWaalsContact C-N 3.27Å; T777-R779 PolarHBondContact O-N 2.87Å; T777-R779 WeakPolarHBondContact OG1-CD 3.27Å; T777-R779 PolarHBondContact OG1-NE 3.2Å; R779-N781 PolarHBondContact O-N 3.05Å; R779-L782 HydrophobicContact CB-CB 4.24Å; R779-L782 HydrophobicContact CB-CD1 4.27Å; R779-L782 PolarHBondContact O-N 2.94Å; R779-A783 PolarHBondContact O-N 3.43Å | ||
| 780 | A | 86.1 | Confident | 89.2 | Confident | 39 Ų | 39 | 20.9 Ų | 20.9 | 32% | 0.322 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -53.4 | -47.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E778 L782 A783 D784 Y823 | E778-A780 PolarHBondContact O-N 3.15Å; A780-L782 VanDerWaalsContact C-N 3.35Å; A780-L782 PolarHBondContact O-N 3.41Å; A780-A783 PolarHBondContact O-N 3.28Å; A780-D784 WeakPolarHBondContact O-CB 3.2Å; A780-D784 PolarHBondContact O-N 3.16Å; A780-Y823 HydrophobicContact CB-CE1 3.98Å; A780-Y823 HydrophobicContact CB-CE2 4.2Å; A780-Y823 PolarHBondContact O-OH 3.16Å |
| 781 | N | 86.8 | Confident | 88.9 | Confident | 107 Ų | 107 | 23.5 Ų | 23.5 | 57% | 0.572 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -64.3 | -37.7 | -178 | -66.8 | -18.2 | 0 | 0 | 0 | 112.8 | V671 R779 Y785 | V671-N781 HydrophobicContact CG2-CB 3.83Å; R779-N781 PolarHBondContact O-N 3.05Å; N781-Y785 PolarHBondContact O-N 3.47Å; N781-Y785 VanDerWaalsContact O-N 3.08Å |
| 782 | L | 90 | Very high | 88.6 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.5 | -41.6 | 175.1 | -77.3 | 168.8 | 0 | 0 | 0 | 111.8 | L666 N669 V671 I674 W773 A774 R779 A780 D784 Y785 F786 | L666-L782 HydrophobicContact CD2-CD2 4.46Å; N669-L782 WeakPolarHBondContact OD1-CD1 3.37Å; N669-L782 WeakPolarHBondContact OD1-CG 3.36Å; V671-L782 HydrophobicContact CB-CD2 4.46Å; V671-L782 HydrophobicContact CG1-CD2 4.45Å; V671-L782 HydrophobicContact CG2-CD2 3.86Å; V671-L782 HydrophobicContact CG2-CG 3.98Å; I674-L782 HydrophobicContact CD1-CD2 3.6Å; W773-L782 HydrophobicContact CH2-CD1 4.34Å; W773-L782 HydrophobicContact CZ3-CD1 4.11Å; A774-L782 HydrophobicContact CB-CB 4.06Å; R779-L782 HydrophobicContact CB-CB 4.24Å; R779-L782 HydrophobicContact CB-CD1 4.27Å; R779-L782 PolarHBondContact O-N 2.94Å; A780-L782 VanDerWaalsContact C-N 3.35Å; A780-L782 PolarHBondContact O-N 3.41Å; L782-D784 VanDerWaalsContact C-N 3.32Å; L782-D784 PolarHBondContact O-N 3.09Å; L782-Y785 PolarHBondContact O-N 2.89Å; L782-F786 HydrophobicContact CB-CD2 4.28Å; L782-F786 HydrophobicContact CB-CE2 4.18Å; L782-F786 HydrophobicContact CD2-CE2 4.02Å; L782-F786 WeakPolarHBondContact O-CB 3.34Å; L782-F786 WeakPolarHBondContact O-CD2 3.49Å; L782-F786 PolarHBondContact O-N 3.06Å |
| 783 | A | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F771 A774 L775 R779 A780 W787 Y823 | F771-A783 HydrophobicContact CD2-CB 4.26Å; F771-A783 VanDerWaalsContact CD2-O 3.26Å; F771-A783 WeakPolarHBondContact CD2-O 3.47Å; F771-A783 HydrophobicContact CE2-CB 4.3Å; F771-A783 WeakPolarHBondContact CE2-O 3.37Å; A774-A783 HydrophobicContact CB-CB 3.79Å; L775-A783 HydrophobicContact CD2-CB 4.02Å; L775-A783 HydrophobicContact CG-CB 4.24Å; R779-A783 PolarHBondContact O-N 3.43Å; A780-A783 PolarHBondContact O-N 3.28Å; A783-W787 VanDerWaalsContact O-CB 3.31Å; A783-W787 WeakPolarHBondContact O-CB 3.44Å; A783-W787 PolarHBondContact O-N 2.95Å; A783-Y823 HydrophobicContact CB-CE1 4.47Å; A783-Y823 WeakPolarHBondContact CB-OH 3.27Å |
| 784 | D | 89.1 | Confident | 88.7 | Confident | 56 Ų | 56 | 23.8 Ų | 23.8 | 30% | 0.299 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 173.8 | -93.8 | 27.2 | 0 | 0 | 0 | 112.7 | A780 L782 Y823 K830 | A780-D784 WeakPolarHBondContact O-CB 3.2Å; A780-D784 PolarHBondContact O-N 3.16Å; L782-D784 VanDerWaalsContact C-N 3.32Å; L782-D784 PolarHBondContact O-N 3.09Å; D784-Y823 WeakPolarHBondContact OD1-CE2 3.26Å; D784-Y823 PolarHBondContact OD1-OH 3.33Å; D784-K830 IonicContact OD1-NZ 3.27Å; D784-K830 PolarHBondContact OD1-NZ 2.81Å; D784-K830 IonicContact OD2-NZ 2.71Å; D784-K830 PolarHBondContact OD2-NZ 3.07Å |
| 785 | Y | 88.5 | Confident | 88.8 | Confident | 33 Ų | 33 | 23.8 Ų | 23.8 | 13% | 0.129 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.1 | -51.6 | 173.8 | 174.7 | -106 | 0 | 0 | 0 | 112.1 | V671 I674 C675 I678 N781 L782 W787 T788 Q789 | V671-Y785 HydrophobicContact CG1-CD1 4.37Å; V671-Y785 HydrophobicContact CG1-CD2 4.42Å; V671-Y785 HydrophobicContact CG1-CG 3.9Å; I674-Y785 HydrophobicContact CG2-CE1 4.15Å; C675-Y785 HydrophobicContact CB-CE2 4.28Å; C675-Y785 WeakPolarHBondContact SG-CE2 3.48Å; I678-Y785 HydrophobicContact CD1-CE1 3.78Å; N781-Y785 PolarHBondContact O-N 3.47Å; N781-Y785 VanDerWaalsContact O-N 3.08Å; L782-Y785 PolarHBondContact O-N 2.89Å; Y785-W787 PolarHBondContact O-N 2.85Å; Y785-T788 WeakPolarHBondContact O-CB 3.46Å; Y785-T788 PolarHBondContact O-N 2.53Å; Y785-T788 PolarHBondContact O-OG1 2.83Å; Y785-Q789 HydrophobicContact CE1-CG 4.3Å |
| 786 | F | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.8 | -32.5 | -179.4 | -72.7 | -55.1 | 0 | 0 | 0 | 112.2 | L666 I674 L684 L770 F771 A774 L782 T788 Q789 V790 | L666-F786 HydrophobicContact CD2-CE2 4.12Å; L666-F786 HydrophobicContact CD2-CZ 3.89Å; I674-F786 HydrophobicContact CG2-CZ 4.39Å; L684-F786 HydrophobicContact CD1-CE1 4.44Å; L770-F786 HydrophobicContact CB-CD1 4.21Å; L770-F786 HydrophobicContact CB-CD2 4.07Å; L770-F786 HydrophobicContact CB-CE1 4.1Å; L770-F786 HydrophobicContact CB-CE2 3.95Å; L770-F786 HydrophobicContact CB-CG 4.22Å; L770-F786 HydrophobicContact CB-CZ 3.98Å; L770-F786 HydrophobicContact CD1-CE1 3.88Å; L770-F786 HydrophobicContact CD1-CZ 3.89Å; L770-F786 HydrophobicContact CG-CZ 4.42Å; F771-F786 HydrophobicContact CB-CB 3.95Å; F771-F786 HydrophobicContact CD2-CB 4.4Å; A774-F786 HydrophobicContact CB-CD2 4.41Å; L782-F786 HydrophobicContact CB-CD2 4.28Å; L782-F786 HydrophobicContact CB-CE2 4.18Å; L782-F786 HydrophobicContact CD2-CE2 4.02Å; L782-F786 WeakPolarHBondContact O-CB 3.34Å; L782-F786 WeakPolarHBondContact O-CD2 3.49Å; L782-F786 PolarHBondContact O-N 3.06Å; F786-T788 PolarHBondContact O-N 3.28Å; F786-Q789 CarbonylContact O-C 3.58Å; F786-Q789 WeakPolarHBondContact O-CA 3.32Å; F786-Q789 WeakPolarHBondContact O-CB 3.12Å; F786-Q789 PolarHBondContact O-N 3.1Å; F786-V790 WeakPolarHBondContact O-CG2 3.24Å; F786-V790 PolarHBondContact O-N 2.72Å |
| 787 | W | 91.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.8 | -33.7 | 172.3 | -176.2 | 62 | 0 | 0 | 0 | 113.2 | F771 A783 Y785 Q789 V790 P793 A797 F827 K830 F1328 Y1331 I1336 | F771-W787 HydrophobicContact CD2-CB 4.16Å; F771-W787 HydrophobicContact CE2-CB 3.73Å; F771-W787 HydrophobicContact CE2-CG 4.3Å; F771-W787 HydrophobicContact CZ-CB 4.33Å; F771-W787 AromaticContact CZ-CD1 3.98Å; F771-W787 HydrophobicContact CZ-CG 4.45Å; A783-W787 VanDerWaalsContact O-CB 3.31Å; A783-W787 WeakPolarHBondContact O-CB 3.44Å; A783-W787 PolarHBondContact O-N 2.95Å; Y785-W787 PolarHBondContact O-N 2.85Å; W787-Q789 VanDerWaalsContact C-N 3.26Å; W787-Q789 PolarHBondContact O-N 3.14Å; W787-V790 PolarHBondContact O-N 3.21Å; W787-P793 HydrophobicContact CZ2-CB 4.41Å; W787-P793 PolarHBondContact NE1-O 2.98Å; W787-A797 HydrophobicContact CZ2-CB 4.01Å; W787-F827 HydrophobicContact CB-CE1 4.37Å; W787-F827 HydrophobicContact CD2-CE1 4.36Å; W787-F827 HydrophobicContact CG-CE1 4.08Å; W787-K830 HydrophobicContact CE3-CD 4.15Å; W787-K830 HydrophobicContact CH2-CB 3.77Å; W787-K830 HydrophobicContact CH2-CD 4.07Å; W787-K830 HydrophobicContact CH2-CG 4.17Å; W787-K830 HydrophobicContact CZ2-CB 4.13Å; W787-K830 HydrophobicContact CZ3-CB 4.36Å; W787-K830 HydrophobicContact CZ3-CD 3.81Å; W787-K830 HydrophobicContact CZ3-CG 4.27Å; W787-F1328 HydrophobicContact CE3-CE2 4.14Å; W787-F1328 HydrophobicContact CE3-CZ 4.49Å; W787-F1328 HydrophobicContact CH2-CD2 4.29Å; W787-F1328 AromaticContact CH2-CE2 3.65Å; W787-F1328 HydrophobicContact CH2-CE2 3.65Å; W787-F1328 HydrophobicContact CZ2-CD2 4.48Å; W787-F1328 HydrophobicContact CZ2-CE2 4.06Å; W787-F1328 AromaticContact CZ3-CE2 3.7Å; W787-F1328 HydrophobicContact CZ3-CE2 3.7Å; W787-F1328 HydrophobicContact CZ3-CZ 4.37Å; W787-Y1331 AromaticContact CH2-CE1 3.86Å; W787-Y1331 HydrophobicContact CH2-CE1 3.86Å; W787-Y1331 HydrophobicContact CZ3-CE1 4.26Å; W787-I1336 HydrophobicContact CZ3-CD1 3.97Å |
| 788 | T | 87.1 | Confident | 89.5 | Confident | 28 Ų | 28 | 23.1 Ų | 23.1 | 17% | 0.172 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70 | -22.1 | 174.2 | 73 | 0 | 0 | 0 | 0 | 113.8 | Y785 F786 F1328 | Y785-T788 WeakPolarHBondContact O-CB 3.46Å; Y785-T788 PolarHBondContact O-N 2.53Å; Y785-T788 PolarHBondContact O-OG1 2.83Å; F786-T788 PolarHBondContact O-N 3.28Å; T788-F1328 HydrophobicContact CG2-CZ 4.2Å |
| 789 | Q | 86.1 | Confident | 89.8 | Confident | 56 Ų | 56 | 19.6 Ų | 19.6 | 26% | 0.262 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -96.7 | -12.4 | -179.7 | -59.6 | -62.1 | -18 | 0 | 0 | 113.2 | A767 Y785 F786 W787 | A767-Q789 HydrophobicContact CB-CB 4Å; Y785-Q789 HydrophobicContact CE1-CG 4.3Å; F786-Q789 CarbonylContact O-C 3.58Å; F786-Q789 WeakPolarHBondContact O-CA 3.32Å; F786-Q789 WeakPolarHBondContact O-CB 3.12Å; F786-Q789 PolarHBondContact O-N 3.1Å; W787-Q789 VanDerWaalsContact C-N 3.26Å; W787-Q789 PolarHBondContact O-N 3.14Å |
| 790 | V | 88.2 | Confident | 90.2 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | trans | -64.8 | 139.1 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111 | F771 F786 W787 D792 A796 F857 | F771-V790 HydrophobicContact CB-CG2 4.09Å; F771-V790 HydrophobicContact CD1-CG2 4.32Å; F771-V790 HydrophobicContact CG-CG2 4.21Å; F786-V790 WeakPolarHBondContact O-CG2 3.24Å; F786-V790 PolarHBondContact O-N 2.72Å; W787-V790 PolarHBondContact O-N 3.21Å; V790-D792 PolarHBondContact O-N 2.94Å; V790-A796 HydrophobicContact CB-CB 4.47Å; V790-A796 HydrophobicContact CG1-CB 3.85Å; V790-F857 HydrophobicContact CG1-CZ 4.35Å | ||
| 791 | Q | 84.7 | Confident | 90.6 | Very high | 56 Ų | 56 | 16.5 Ų | 16.5 | 26% | 0.262 | 8% | 0.083 | S | C | . | . | S | Bend | trans | -62.4 | -38.8 | 179.9 | -177.1 | 175.6 | 9.8 | 0 | 0 | 113.3 | N765 P793 I1321 | N765-Q791 PolarHBondContact ND2-OE1 3.23Å; N765-Q791 PolarHBondContact OD1-OE1 3.43Å; Q791-P793 WeakPolarHBondContact O-CD 3.05Å; Q791-I1321 HydrophobicContact CG-CG2 4.01Å |
| 792 | D | 87.1 | Confident | 90.9 | Very high | 7 Ų | 7 | 11.5 Ų | 11.5 | 4% | 0.037 | 6% | 0.056 | C | C | . | . | trans | -118.8 | 83.2 | -177.1 | -66.3 | -48.3 | 0 | 0 | 0 | 110.9 | V790 P795 A796 R854 F857 I1321 | V790-D792 PolarHBondContact O-N 2.94Å; D792-P795 HydrophobicContact CB-CG 3.52Å; D792-P795 WeakPolarHBondContact O-CD 3.33Å; D792-P795 WeakPolarHBondContact O-CG 3.39Å; D792-A796 VanDerWaalsContact O-CB 3.28Å; D792-A796 WeakPolarHBondContact O-CB 3.39Å; D792-A796 PolarHBondContact O-N 2.93Å; D792-R854 IonicContact OD1-CZ 2.75Å; D792-R854 IonicContact OD1-NH1 3.85Å; D792-R854 PolarHBondContact OD1-NH1 3.43Å; D792-F857 HydrophobicContact CB-CE2 4.1Å; D792-I1321 WeakPolarHBondContact OD1-CG2 3.49Å | ||
| 793 | P | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -70.8 | -34.3 | -169.8 | 25.5 | -33.7 | 0 | 0 | 0 | 114.6 | W787 Q791 A796 A797 L834 E1324 F1328 | W787-P793 HydrophobicContact CZ2-CB 4.41Å; W787-P793 PolarHBondContact NE1-O 2.98Å; Q791-P793 WeakPolarHBondContact O-CD 3.05Å; P793-A796 PolarHBondContact O-N 2.92Å; P793-A797 PolarHBondContact O-N 3.29Å; P793-A797 VanDerWaalsContact O-N 3.08Å; P793-L834 HydrophobicContact CB-CD2 4.19Å; P793-L834 HydrophobicContact CG-CD2 4.2Å; P793-E1324 WeakPolarHBondContact CD-OE1 3.29Å; P793-F1328 HydrophobicContact CB-CB 4.37Å; P793-F1328 HydrophobicContact CB-CD1 4.48Å; P793-F1328 HydrophobicContact CB-CD2 3.68Å; P793-F1328 HydrophobicContact CB-CE2 4.14Å; P793-F1328 HydrophobicContact CB-CG 3.88Å; P793-F1328 HydrophobicContact CG-CB 3.6Å; P793-F1328 HydrophobicContact CG-CD1 4.27Å; P793-F1328 HydrophobicContact CG-CD2 3.88Å; P793-F1328 HydrophobicContact CG-CG 3.62Å |
| 794 | L | 92.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.3 | -52.1 | -179.9 | -171 | 68.3 | 0 | 0 | 0 | 113.1 | A796 A797 L798 A831 L834 L835 T849 I850 C862 F874 E1324 | L794-A796 VanDerWaalsContact C-N 3.31Å; L794-A796 PolarHBondContact O-N 3.12Å; L794-A797 PolarHBondContact O-N 3.02Å; L794-L798 PolarHBondContact O-N 3.45Å; L794-A831 HydrophobicContact CD1-CB 4.34Å; L794-A831 WeakPolarHBondContact CD1-O 3.11Å; L794-L834 HydrophobicContact CB-CD2 4.01Å; L794-L834 HydrophobicContact CD1-CB 4.25Å; L794-L834 HydrophobicContact CD1-CD2 4.01Å; L794-L834 HydrophobicContact CD1-CG 4.15Å; L794-L835 HydrophobicContact CD1-CB 4.37Å; L794-T849 HydrophobicContact CD2-CG2 4.27Å; L794-I850 HydrophobicContact CD2-CG2 4.43Å; L794-C862 HydrophobicContact CD2-CB 4.44Å; L794-F874 HydrophobicContact CD1-CE2 3.91Å; L794-F874 HydrophobicContact CD1-CZ 4.37Å; L794-F874 HydrophobicContact CD2-CZ 4.43Å; L794-F874 HydrophobicContact CG-CE2 4.47Å; L794-F874 HydrophobicContact CG-CZ 4.47Å; L794-E1324 WeakPolarHBondContact CB-OE1 3.22Å; L794-E1324 PolarHBondContact N-OE1 3.22Å |
| 795 | P | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67.9 | -29.4 | 174.6 | 30 | -37.3 | 0 | 0 | 0 | 112.3 | D792 L798 F799 R854 F857 L865 | D792-P795 HydrophobicContact CB-CG 3.52Å; D792-P795 WeakPolarHBondContact O-CD 3.33Å; D792-P795 WeakPolarHBondContact O-CG 3.39Å; P795-L798 PolarHBondContact O-N 2.92Å; P795-F799 VanDerWaalsContact O-CB 3.24Å; P795-F799 WeakPolarHBondContact O-CB 3.38Å; P795-F799 PolarHBondContact O-N 3.13Å; P795-R854 HydrophobicContact CB-CG 4.12Å; P795-R854 HydrophobicContact CG-CG 3.9Å; P795-F857 HydrophobicContact CB-CD2 3.67Å; P795-F857 HydrophobicContact CB-CE2 4.17Å; P795-F857 HydrophobicContact CB-CG 4.27Å; P795-F857 HydrophobicContact CG-CD2 3.71Å; P795-F857 HydrophobicContact CG-CE2 3.87Å; P795-L865 HydrophobicContact CB-CD1 3.65Å |
| 796 | A | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F771 V790 D792 P793 L794 F799 A800 F857 | F771-A796 HydrophobicContact CE1-CB 3.93Å; F771-A796 HydrophobicContact CZ-CB 4.48Å; V790-A796 HydrophobicContact CB-CB 4.47Å; V790-A796 HydrophobicContact CG1-CB 3.85Å; D792-A796 VanDerWaalsContact O-CB 3.28Å; D792-A796 WeakPolarHBondContact O-CB 3.39Å; D792-A796 PolarHBondContact O-N 2.93Å; P793-A796 PolarHBondContact O-N 2.92Å; L794-A796 VanDerWaalsContact C-N 3.31Å; L794-A796 PolarHBondContact O-N 3.12Å; A796-F799 PolarHBondContact O-N 3.46Å; A796-A800 WeakPolarHBondContact O-CB 3.41Å; A796-A800 PolarHBondContact O-N 3.4Å; A796-F857 VanDerWaalsContact CA-CZ 3.48Å; A796-F857 HydrophobicContact CB-CE1 4.24Å; A796-F857 HydrophobicContact CB-CE2 4.07Å; A796-F857 HydrophobicContact CB-CZ 3.52Å |
| 797 | A | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.4 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | W787 P793 L794 A800 A801 F827 A831 | W787-A797 HydrophobicContact CZ2-CB 4.01Å; P793-A797 PolarHBondContact O-N 3.29Å; P793-A797 VanDerWaalsContact O-N 3.08Å; L794-A797 PolarHBondContact O-N 3.02Å; A797-A800 PolarHBondContact O-N 3.21Å; A797-A801 WeakPolarHBondContact O-CB 3.49Å; A797-A801 PolarHBondContact O-N 3.2Å; A797-F827 HydrophobicContact CB-CD1 4.16Å; A797-F827 WeakPolarHBondContact O-CB 3.48Å; A797-A831 HydrophobicContact CB-CB 3.88Å |
| 798 | L | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -67.5 | -39.4 | 176.1 | -67.7 | 170.9 | 0 | 0 | 0 | 112.5 | L794 P795 A801 L802 A831 C862 L865 A866 F874 | L794-L798 PolarHBondContact O-N 3.45Å; P795-L798 PolarHBondContact O-N 2.92Å; L798-A801 PolarHBondContact O-N 3.02Å; L798-L802 WeakPolarHBondContact O-CB 3.37Å; L798-L802 PolarHBondContact O-N 2.93Å; L798-A831 HydrophobicContact CD2-CB 3.81Å; L798-A831 HydrophobicContact CG-CB 3.97Å; L798-C862 HydrophobicContact CD1-CB 3.76Å; L798-C862 WeakPolarHBondContact CD1-O 3.47Å; L798-L865 HydrophobicContact CB-CB 4.09Å; L798-A866 HydrophobicContact CD1-CB 4.32Å; L798-A866 HydrophobicContact CD2-CB 4.11Å; L798-F874 HydrophobicContact CD1-CD1 4.27Å; L798-F874 HydrophobicContact CD1-CD2 4.45Å; L798-F874 HydrophobicContact CD1-CE1 3.86Å; L798-F874 HydrophobicContact CD1-CE2 4.05Å; L798-F874 HydrophobicContact CD1-CZ 3.73Å; L798-F874 HydrophobicContact CD2-CB 4.18Å; L798-F874 HydrophobicContact CD2-CD1 4.17Å; L798-F874 HydrophobicContact CD2-CD2 3.84Å; L798-F874 HydrophobicContact CD2-CE2 4.23Å; L798-F874 HydrophobicContact CD2-CG 3.79Å; L798-F874 HydrophobicContact CG-CE2 4.47Å |
| 799 | F | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 174 | 179.2 | -95.2 | 0 | 0 | 0 | 111.4 | L733 V737 Y741 I772 P795 A796 L802 L803 F857 | L733-F799 HydrophobicContact CD2-CZ 4.36Å; V737-F799 HydrophobicContact CG1-CE2 4.33Å; V737-F799 HydrophobicContact CG2-CE2 3.77Å; V737-F799 HydrophobicContact CG2-CZ 4.2Å; Y741-F799 HydrophobicContact CD2-CE2 4.26Å; Y741-F799 HydrophobicContact CE1-CE2 4.3Å; Y741-F799 HydrophobicContact CE2-CD2 4.01Å; Y741-F799 AromaticContact CE2-CE2 3.47Å; Y741-F799 HydrophobicContact CE2-CE2 3.47Å; Y741-F799 VanDerWaalsContact CE2-CE2 3.47Å; Y741-F799 HydrophobicContact CE2-CZ 4.39Å; Y741-F799 AromaticContact CZ-CE2 3.51Å; Y741-F799 WeakPolarHBondContact OH-CE2 3.45Å; I772-F799 HydrophobicContact CD1-CE1 4.34Å; I772-F799 HydrophobicContact CG1-CE1 4.02Å; P795-F799 VanDerWaalsContact O-CB 3.24Å; P795-F799 WeakPolarHBondContact O-CB 3.38Å; P795-F799 PolarHBondContact O-N 3.13Å; A796-F799 PolarHBondContact O-N 3.46Å; F799-L802 PolarHBondContact O-N 3.19Å; F799-L803 HydrophobicContact CE1-CB 4.41Å; F799-L803 HydrophobicContact CE1-CD2 3.86Å; F799-L803 HydrophobicContact CZ-CD2 4.33Å; F799-L803 VanDerWaalsContact O-CB 3.29Å; F799-L803 WeakPolarHBondContact O-CB 3.44Å; F799-L803 PolarHBondContact O-N 3.31Å; F799-F857 HydrophobicContact CB-CD1 3.62Å; F799-F857 HydrophobicContact CB-CE1 3.94Å; F799-F857 HydrophobicContact CB-CG 4.44Å; F799-F857 HydrophobicContact CD1-CD1 4.06Å; F799-F857 HydrophobicContact CD1-CE1 4.02Å; F799-F857 AromaticContact CD2-CD1 3.9Å; F799-F857 HydrophobicContact CD2-CD1 3.9Å; F799-F857 AromaticContact CG-CD1 3.57Å; F799-F857 HydrophobicContact CG-CD1 3.57Å; F799-F857 AromaticContact CG-CE1 3.95Å; F799-F857 HydrophobicContact CG-CE1 3.95Å |
| 800 | A | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F771 L775 A796 A797 L802 L803 L804 F827 | F771-A800 HydrophobicContact CE1-CB 4.25Å; F771-A800 HydrophobicContact CZ-CB 3.79Å; L775-A800 HydrophobicContact CD1-CB 3.68Å; L775-A800 HydrophobicContact CD2-CB 4.07Å; A796-A800 WeakPolarHBondContact O-CB 3.41Å; A796-A800 PolarHBondContact O-N 3.4Å; A797-A800 PolarHBondContact O-N 3.21Å; A800-L802 PolarHBondContact O-N 3.41Å; A800-L803 PolarHBondContact O-N 3.35Å; A800-L804 VanDerWaalsContact O-CB 3.3Å; A800-L804 WeakPolarHBondContact O-CB 3.4Å; A800-L804 VanDerWaalsContact O-CG 3.26Å; A800-L804 WeakPolarHBondContact O-CG 3.35Å; A800-L804 PolarHBondContact O-N 3.5Å; A800-F827 HydrophobicContact CB-CB 4.21Å; A800-F827 HydrophobicContact CB-CD1 4.06Å; A800-F827 HydrophobicContact CB-CD2 3.62Å; A800-F827 HydrophobicContact CB-CE1 4.34Å; A800-F827 HydrophobicContact CB-CE2 3.87Å; A800-F827 HydrophobicContact CB-CG 3.71Å; A800-F827 HydrophobicContact CB-CZ 4.25Å |
| 801 | A | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A797 L798 R805 S824 F827 E828 | A797-A801 WeakPolarHBondContact O-CB 3.49Å; A797-A801 PolarHBondContact O-N 3.2Å; L798-A801 PolarHBondContact O-N 3.02Å; A801-R805 VanDerWaalsContact O-CD 3.23Å; A801-R805 WeakPolarHBondContact O-CD 3.41Å; A801-R805 WeakPolarHBondContact O-CG 3.31Å; A801-R805 PolarHBondContact O-N 2.88Å; A801-S824 WeakPolarHBondContact CB-O 3.5Å; A801-F827 HydrophobicContact CB-CB 4.3Å; A801-E828 HydrophobicContact CB-CB 4.36Å |
| 802 | L | 93.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.8 | -50.3 | 173.8 | 165.8 | 51.6 | 0 | 0 | 0 | 111.7 | V737 L798 F799 A800 R805 R806 E868 | V737-L802 HydrophobicContact CG1-CD2 3.74Å; V737-L802 HydrophobicContact CG1-CG 4.38Å; L798-L802 WeakPolarHBondContact O-CB 3.37Å; L798-L802 PolarHBondContact O-N 2.93Å; F799-L802 PolarHBondContact O-N 3.19Å; A800-L802 PolarHBondContact O-N 3.41Å; L802-R805 PolarHBondContact O-N 2.71Å; L802-R806 HydrophobicContact CD1-CG 3.9Å; L802-R806 VanDerWaalsContact O-CG 3.23Å; L802-R806 WeakPolarHBondContact O-CG 3.44Å; L802-R806 PolarHBondContact O-N 3.26Å; L802-E868 HydrophobicContact CD2-CB 4.27Å |
| 803 | L | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.4 | -48.9 | -177.1 | -177.6 | 63.2 | 0 | 0 | 0 | 111.8 | L733 L736 V737 L775 L776 F799 A800 R805 R806 L807 | L733-L803 HydrophobicContact CD2-CD1 3.78Å; L733-L803 HydrophobicContact CD2-CD2 4.19Å; L736-L803 HydrophobicContact CB-CD1 4.23Å; L736-L803 HydrophobicContact CD1-CD1 3.85Å; V737-L803 HydrophobicContact CG2-CD1 4.45Å; L775-L803 HydrophobicContact CB-CD2 4.24Å; L775-L803 HydrophobicContact CD1-CD2 4.3Å; L776-L803 HydrophobicContact CD2-CD1 4.26Å; L776-L803 HydrophobicContact CD2-CD2 4.04Å; L776-L803 HydrophobicContact CD2-CG 4.46Å; L776-L803 HydrophobicContact CG-CD2 4.5Å; F799-L803 HydrophobicContact CE1-CB 4.41Å; F799-L803 HydrophobicContact CE1-CD2 3.86Å; F799-L803 HydrophobicContact CZ-CD2 4.33Å; F799-L803 VanDerWaalsContact O-CB 3.29Å; F799-L803 WeakPolarHBondContact O-CB 3.44Å; F799-L803 PolarHBondContact O-N 3.31Å; A800-L803 PolarHBondContact O-N 3.35Å; L803-R805 VanDerWaalsContact C-N 3.32Å; L803-R805 PolarHBondContact O-N 3.11Å; L803-R806 PolarHBondContact O-N 3.15Å; L803-L807 HydrophobicContact CD1-CD1 4.46Å; L803-L807 HydrophobicContact CD1-CG 4.38Å; L803-L807 HydrophobicContact CG-CD1 4.04Å; L803-L807 HydrophobicContact CG-CG 4.4Å; L803-L807 WeakPolarHBondContact O-CG 3.25Å; L803-L807 PolarHBondContact O-N 3.15Å |
| 804 | L | 92.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -37.6 | 179.6 | -71 | 167.5 | 0 | 0 | 0 | 112.3 | L775 A800 R806 L807 A808 Y823 F827 | L775-L804 HydrophobicContact CD2-CD1 4.1Å; L775-L804 HydrophobicContact CD2-CD2 4.32Å; L775-L804 HydrophobicContact CD2-CG 4.28Å; A800-L804 VanDerWaalsContact O-CB 3.3Å; A800-L804 WeakPolarHBondContact O-CB 3.4Å; A800-L804 VanDerWaalsContact O-CG 3.26Å; A800-L804 WeakPolarHBondContact O-CG 3.35Å; A800-L804 PolarHBondContact O-N 3.5Å; L804-R806 VanDerWaalsContact C-N 3.28Å; L804-R806 PolarHBondContact O-N 3.29Å; L804-L807 PolarHBondContact O-N 2.89Å; L804-A808 VanDerWaalsContact O-CB 3.25Å; L804-A808 WeakPolarHBondContact O-CB 3.49Å; L804-A808 PolarHBondContact O-N 3.13Å; L804-Y823 HydrophobicContact CD1-CD1 3.52Å; L804-Y823 HydrophobicContact CD1-CE1 4.19Å; L804-Y823 HydrophobicContact CD1-CG 3.99Å; L804-Y823 HydrophobicContact CD2-CD1 4.14Å; L804-F827 HydrophobicContact CD1-CD2 3.83Å; L804-F827 HydrophobicContact CD1-CE2 4.15Å |
| 805 | R | 93.1 | Very high | 90.1 | Very high | 38 Ų | 38 | 34.2 Ų | 34.2 | 14% | 0.143 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.5 | -30.7 | 174.7 | -74.6 | 168.5 | -168.2 | 163.8 | 6.9 | 113.4 | A801 L802 L803 F821 S824 E828 G869 S871 | A801-R805 VanDerWaalsContact O-CD 3.23Å; A801-R805 WeakPolarHBondContact O-CD 3.41Å; A801-R805 WeakPolarHBondContact O-CG 3.31Å; A801-R805 PolarHBondContact O-N 2.88Å; L802-R805 PolarHBondContact O-N 2.71Å; L803-R805 VanDerWaalsContact C-N 3.32Å; L803-R805 PolarHBondContact O-N 3.11Å; R805-F821 HydrophobicContact CG-CD1 4.32Å; R805-F821 HydrophobicContact CG-CE1 4.27Å; R805-S824 PolarHBondContact NE-OG 3.34Å; R805-E828 IonicContact CZ-OE2 3.52Å; R805-E828 IonicContact NH1-OE2 2.73Å; R805-E828 IonicContact NH2-OE2 3.3Å; R805-E828 PolarHBondContact NH2-OE2 3.32Å; R805-G869 PolarHBondContact NH1-O 3.14Å; R805-S871 PolarHBondContact NH1-OG 3.37Å |
| 806 | R | 90.9 | Very high | 89.6 | Confident | 87 Ų | 87 | 36.3 Ų | 36.3 | 33% | 0.328 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -81.7 | -39.8 | 179.4 | -64.4 | -77.3 | -172.3 | 171.4 | 7.7 | 110.7 | L736 L802 L803 L804 M809 | L736-R806 HydrophobicContact CB-CB 4.29Å; L736-R806 HydrophobicContact CD2-CB 3.85Å; L736-R806 VanDerWaalsContact O-CD 3.22Å; L736-R806 WeakPolarHBondContact O-CD 3.35Å; L736-R806 WeakPolarHBondContact O-CG 3.13Å; L802-R806 HydrophobicContact CD1-CG 3.9Å; L802-R806 VanDerWaalsContact O-CG 3.23Å; L802-R806 WeakPolarHBondContact O-CG 3.44Å; L802-R806 PolarHBondContact O-N 3.26Å; L803-R806 PolarHBondContact O-N 3.15Å; L804-R806 VanDerWaalsContact C-N 3.28Å; L804-R806 PolarHBondContact O-N 3.29Å; R806-M809 PolarHBondContact O-N 3.27Å |
| 807 | L | 90 | Very high | 89.4 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 171 | -69.5 | 171.7 | 0 | 0 | 0 | 112.5 | A709 V713 L736 L776 L803 L804 M809 N810 A811 M820 | A709-L807 HydrophobicContact CB-CB 4.35Å; V713-L807 HydrophobicContact CG2-CD2 4.17Å; L736-L807 HydrophobicContact CD1-CD2 3.72Å; L736-L807 HydrophobicContact CD1-CG 4.42Å; L736-L807 HydrophobicContact CD2-CD2 4.32Å; L776-L807 HydrophobicContact CD2-CD1 4Å; L776-L807 HydrophobicContact CD2-CD2 4.08Å; L803-L807 HydrophobicContact CD1-CD1 4.46Å; L803-L807 HydrophobicContact CD1-CG 4.38Å; L803-L807 HydrophobicContact CG-CD1 4.04Å; L803-L807 HydrophobicContact CG-CG 4.4Å; L803-L807 WeakPolarHBondContact O-CG 3.25Å; L803-L807 PolarHBondContact O-N 3.15Å; L804-L807 PolarHBondContact O-N 2.89Å; L807-M809 PolarHBondContact O-N 2.9Å; L807-N810 PolarHBondContact O-N 3.42Å; L807-A811 PolarHBondContact O-N 3.21Å; L807-M820 HydrophobicContact CB-SD 4.13Å |
| 808 | A | 90.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L804 N810 R817 M820 F821 | L804-A808 VanDerWaalsContact O-CB 3.25Å; L804-A808 WeakPolarHBondContact O-CB 3.49Å; L804-A808 PolarHBondContact O-N 3.13Å; A808-N810 PolarHBondContact O-N 2.81Å; A808-R817 HydrophobicContact CB-CG 4.23Å; A808-R817 WeakPolarHBondContact O-CD 3.42Å; A808-R817 VanDerWaalsContact O-CG 3.3Å; A808-R817 WeakPolarHBondContact O-CG 3.27Å; A808-M820 HydrophobicContact CB-CB 3.92Å; A808-M820 HydrophobicContact CB-SD 4.28Å; A808-F821 HydrophobicContact CB-CD1 4.34Å; A808-F821 HydrophobicContact CB-CD2 4.16Å; A808-F821 HydrophobicContact CB-CE1 3.99Å; A808-F821 HydrophobicContact CB-CE2 3.8Å; A808-F821 HydrophobicContact CB-CG 4.41Å; A808-F821 HydrophobicContact CB-CZ 3.7Å |
| 809 | M | 87 | Confident | 88.8 | Confident | 133 Ų | 133 | 46.6 Ų | 46.6 | 66% | 0.655 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -15.2 | 172.1 | -63.4 | -175.4 | 175.1 | 0 | 0 | 113.1 | R806 L807 | R806-M809 PolarHBondContact O-N 3.27Å; L807-M809 PolarHBondContact O-N 2.9Å |
| 810 | N | 85 | Confident | 88.6 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 31% | 0.305 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -116.9 | 1.3 | -174 | -66.8 | 21 | 0 | 0 | 0 | 113.8 | N712 V713 L807 A808 | N712-N810 HydrophobicContact CB-CB 4.36Å; N712-N810 WeakPolarHBondContact CB-O 3.33Å; N712-N810 PolarHBondContact ND2-O 3.27Å; V713-N810 HydrophobicContact CG2-CB 4.21Å; V713-N810 WeakPolarHBondContact CG2-ND2 3.44Å; L807-N810 PolarHBondContact O-N 3.42Å; A808-N810 PolarHBondContact O-N 2.81Å |
| 811 | A | 82.9 | Confident | 88.6 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 12% | 0.124 | 26% | 0.263 | C | S | . | . | trans | -77.3 | 141 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A709 L807 R817 M820 | A709-A811 HydrophobicContact CB-CB 4.28Å; L807-A811 PolarHBondContact O-N 3.21Å; A811-R817 HydrophobicContact CB-CB 4.2Å; A811-M820 HydrophobicContact CB-CE 4.47Å; A811-M820 HydrophobicContact CB-SD 4.4Å | ||
| 812 | T | 82.9 | Confident | 88.5 | Confident | 99 Ų | 99 | 55.3 Ų | 55.3 | 61% | 0.607 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -87.4 | -43.7 | 179.5 | 77.3 | 0 | 0 | 0 | 0 | 111.7 | E708 N712 | E708-T812 WeakPolarHBondContact OE1-CB 3.37Å; E708-T812 WeakPolarHBondContact OE1-CG2 3.24Å; E708-T812 PolarHBondContact OE1-OG1 3.08Å; E708-T812 PolarHBondContact OE2-N 3.47Å; E708-T812 PolarHBondContact OE2-OG1 3.26Å; N712-T812 WeakPolarHBondContact ND2-CG2 3.38Å |
| 813 | S | 82.1 | Confident | 88.4 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 33% | 0.329 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -72.5 | 134.9 | 179.7 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | V815 T816 R817 | S813-V815 PolarHBondContact O-N 3.4Å; S813-V815 PolarHBondContact OG-N 3.2Å; S813-T816 WeakPolarHBondContact CB-OG1 3.5Å; S813-T816 PolarHBondContact O-OG1 3.11Å; S813-T816 VanDerWaalsContact O-OG1 3.13Å; S813-R817 VanDerWaalsContact O-CB 3.29Å; S813-R817 WeakPolarHBondContact O-CB 3.44Å; S813-R817 PolarHBondContact O-N 3.29Å |
| 814 | L | 85.9 | Confident | 88.5 | Confident | 115 Ų | 115 | 57.1 Ų | 57.1 | 60% | 0.602 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.8 | -32.8 | 175.2 | -175.2 | 62.6 | 0 | 0 | 0 | 111.9 | E818 | L814-E818 WeakPolarHBondContact O-CB 3.45Å; L814-E818 PolarHBondContact O-N 3.11Å |
| 815 | V | 85.8 | Confident | 88.5 | Confident | 117 Ų | 117 | 63.7 Ų | 63.7 | 71% | 0.709 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -71.6 | -46.3 | -178.3 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | S813 G819 | S813-V815 PolarHBondContact O-N 3.4Å; S813-V815 PolarHBondContact OG-N 3.2Å; V815-G819 PolarHBondContact O-N 3.08Å |
| 816 | T | 83 | Confident | 88.4 | Confident | 43 Ų | 43 | 64.1 Ų | 64.1 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 176.1 | 58.8 | 0 | 0 | 0 | 0 | 110.6 | S813 G819 M820 | S813-T816 WeakPolarHBondContact CB-OG1 3.5Å; S813-T816 PolarHBondContact O-OG1 3.11Å; S813-T816 VanDerWaalsContact O-OG1 3.13Å; T816-G819 PolarHBondContact O-N 2.94Å; T816-M820 VanDerWaalsContact O-CG 3.31Å; T816-M820 WeakPolarHBondContact O-CG 3.23Å; T816-M820 PolarHBondContact O-N 3.23Å |
| 817 | R | 88.5 | Confident | 88.6 | Confident | 112 Ų | 112 | 60 Ų | 60 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.2 | -49.6 | 175.3 | -173.2 | 174.4 | 77 | 169.1 | 2.5 | 113.3 | A808 A811 S813 M820 F821 | A808-R817 HydrophobicContact CB-CG 4.23Å; A808-R817 WeakPolarHBondContact O-CD 3.42Å; A808-R817 VanDerWaalsContact O-CG 3.3Å; A808-R817 WeakPolarHBondContact O-CG 3.27Å; A811-R817 HydrophobicContact CB-CB 4.2Å; S813-R817 VanDerWaalsContact O-CB 3.29Å; S813-R817 WeakPolarHBondContact O-CB 3.44Å; S813-R817 PolarHBondContact O-N 3.29Å; R817-M820 PolarHBondContact O-N 3.49Å; R817-F821 HydrophobicContact CG-CD2 4.03Å; R817-F821 HydrophobicContact CG-CE2 3.73Å; R817-F821 WeakPolarHBondContact O-CD2 3.42Å; R817-F821 PolarHBondContact O-N 3.4Å |
| 818 | E | 89.1 | Confident | 88.8 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 34% | 0.336 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.5 | -36.7 | 177.9 | -174.6 | 57 | -151.9 | 0 | 0 | 111.2 | L814 M820 F821 Q822 R825 | L814-E818 WeakPolarHBondContact O-CB 3.45Å; L814-E818 PolarHBondContact O-N 3.11Å; E818-M820 PolarHBondContact O-N 2.63Å; E818-F821 PolarHBondContact O-N 2.69Å; E818-F821 VanDerWaalsContact O-N 3.14Å; E818-Q822 HydrophobicContact CG-CG 4.41Å; E818-Q822 WeakPolarHBondContact O-CG 3.43Å; E818-Q822 PolarHBondContact O-N 3.06Å; E818-R825 IonicContact OE1-NH1 2.88Å; E818-R825 PolarHBondContact OE1-NH1 3.38Å |
| 819 | G | 87.8 | Confident | 88.9 | Confident | 33 Ų | 33 | 63.7 Ų | 63.7 | 34% | 0.34 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.6 | -45.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V815 T816 Q822 Y823 | V815-G819 PolarHBondContact O-N 3.08Å; T816-G819 PolarHBondContact O-N 2.94Å; G819-Q822 PolarHBondContact O-N 3.47Å; G819-Y823 VanDerWaalsContact O-CB 3.32Å; G819-Y823 WeakPolarHBondContact O-CB 3.38Å; G819-Y823 PolarHBondContact O-N 3.45Å |
| 820 | M | 89.7 | Confident | 89.1 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 5% | 0.054 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -40.1 | 173.4 | -71.7 | 178.5 | -168.1 | 0 | 0 | 112.4 | A709 E778 L807 A808 A811 T816 R817 E818 Y823 S824 | A709-M820 HydrophobicContact CB-CE 3.75Å; A709-M820 HydrophobicContact CB-SD 4.32Å; E778-M820 HydrophobicContact CG-CE 3.8Å; E778-M820 WeakPolarHBondContact OE1-CE 3.41Å; E778-M820 VanDerWaalsContact OE2-CE 3.28Å; E778-M820 WeakPolarHBondContact OE2-CE 3.22Å; L807-M820 HydrophobicContact CB-SD 4.13Å; A808-M820 HydrophobicContact CB-CB 3.92Å; A808-M820 HydrophobicContact CB-SD 4.28Å; A811-M820 HydrophobicContact CB-CE 4.47Å; A811-M820 HydrophobicContact CB-SD 4.4Å; T816-M820 VanDerWaalsContact O-CG 3.31Å; T816-M820 WeakPolarHBondContact O-CG 3.23Å; T816-M820 PolarHBondContact O-N 3.23Å; R817-M820 PolarHBondContact O-N 3.49Å; E818-M820 PolarHBondContact O-N 2.63Å; M820-Y823 PolarHBondContact O-N 3.15Å; M820-S824 WeakPolarHBondContact O-CB 3.47Å; M820-S824 PolarHBondContact O-N 3.43Å |
| 821 | F | 92.9 | Very high | 89.5 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 175.3 | -79.6 | -56.7 | 0 | 0 | 0 | 112.1 | R805 A808 R817 E818 Y823 S824 R825 | R805-F821 HydrophobicContact CG-CD1 4.32Å; R805-F821 HydrophobicContact CG-CE1 4.27Å; A808-F821 HydrophobicContact CB-CD1 4.34Å; A808-F821 HydrophobicContact CB-CD2 4.16Å; A808-F821 HydrophobicContact CB-CE1 3.99Å; A808-F821 HydrophobicContact CB-CE2 3.8Å; A808-F821 HydrophobicContact CB-CG 4.41Å; A808-F821 HydrophobicContact CB-CZ 3.7Å; R817-F821 HydrophobicContact CG-CD2 4.03Å; R817-F821 HydrophobicContact CG-CE2 3.73Å; R817-F821 WeakPolarHBondContact O-CD2 3.42Å; R817-F821 PolarHBondContact O-N 3.4Å; E818-F821 PolarHBondContact O-N 2.69Å; E818-F821 VanDerWaalsContact O-N 3.14Å; F821-Y823 VanDerWaalsContact C-N 3.35Å; F821-Y823 PolarHBondContact O-N 2.84Å; F821-S824 PolarHBondContact O-N 3.24Å; F821-S824 PolarHBondContact O-OG 3.18Å; F821-R825 WeakPolarHBondContact O-CG 3.33Å; F821-R825 PolarHBondContact O-N 3.14Å |
| 822 | Q | 91.9 | Very high | 89.9 | Confident | 116 Ų | 116 | 59.6 Ų | 59.6 | 54% | 0.542 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 173.6 | -70 | 179 | 16.4 | 0 | 0 | 111.5 | E818 G819 S824 R825 S826 | E818-Q822 HydrophobicContact CG-CG 4.41Å; E818-Q822 WeakPolarHBondContact O-CG 3.43Å; E818-Q822 PolarHBondContact O-N 3.06Å; G819-Q822 PolarHBondContact O-N 3.47Å; Q822-S824 PolarHBondContact O-N 3.46Å; Q822-R825 WeakPolarHBondContact O-CB 2.95Å; Q822-R825 PolarHBondContact O-N 2.97Å; Q822-S826 PolarHBondContact O-N 3.4Å |
| 823 | Y | 92.3 | Very high | 90.3 | Very high | 39 Ų | 39 | 55.7 Ų | 55.7 | 15% | 0.153 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.9 | -36 | 177.8 | -163.1 | -143.3 | 0 | 0 | 0 | 112.1 | L775 A780 A783 D784 L804 G819 M820 F821 R825 S826 F827 | L775-Y823 HydrophobicContact CD2-CE1 4.09Å; A780-Y823 HydrophobicContact CB-CE1 3.98Å; A780-Y823 HydrophobicContact CB-CE2 4.2Å; A780-Y823 PolarHBondContact O-OH 3.16Å; A783-Y823 HydrophobicContact CB-CE1 4.47Å; A783-Y823 WeakPolarHBondContact CB-OH 3.27Å; D784-Y823 WeakPolarHBondContact OD1-CE2 3.26Å; D784-Y823 PolarHBondContact OD1-OH 3.33Å; L804-Y823 HydrophobicContact CD1-CD1 3.52Å; L804-Y823 HydrophobicContact CD1-CE1 4.19Å; L804-Y823 HydrophobicContact CD1-CG 3.99Å; L804-Y823 HydrophobicContact CD2-CD1 4.14Å; G819-Y823 VanDerWaalsContact O-CB 3.32Å; G819-Y823 WeakPolarHBondContact O-CB 3.38Å; G819-Y823 PolarHBondContact O-N 3.45Å; M820-Y823 PolarHBondContact O-N 3.15Å; F821-Y823 VanDerWaalsContact C-N 3.35Å; F821-Y823 PolarHBondContact O-N 2.84Å; Y823-R825 VanDerWaalsContact C-N 3.34Å; Y823-R825 PolarHBondContact O-N 3.33Å; Y823-S826 WeakPolarHBondContact O-CB 3.4Å; Y823-S826 PolarHBondContact O-N 3.29Å; Y823-F827 HydrophobicContact CD1-CE2 4.13Å; Y823-F827 HydrophobicContact CD2-CD2 4.38Å; Y823-F827 HydrophobicContact CD2-CE2 4.18Å; Y823-F827 HydrophobicContact CE1-CD2 4.41Å; Y823-F827 AromaticContact CE1-CE2 3.58Å; Y823-F827 HydrophobicContact CE1-CE2 3.58Å; Y823-F827 HydrophobicContact CE1-CZ 4.39Å; Y823-F827 HydrophobicContact CE2-CD2 4.2Å; Y823-F827 AromaticContact CE2-CE2 3.62Å; Y823-F827 HydrophobicContact CE2-CE2 3.62Å; Y823-F827 HydrophobicContact CE2-CZ 4.16Å; Y823-F827 HydrophobicContact CG-CE2 4.39Å; Y823-F827 AromaticContact CZ-CE2 3.26Å; Y823-F827 AromaticContact CZ-CZ 3.76Å; Y823-F827 PolarHBondContact O-N 2.93Å; Y823-F827 WeakPolarHBondContact OH-CE2 3.31Å; Y823-F827 WeakPolarHBondContact OH-CZ 3.43Å |
| 824 | S | 94.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -37 | 171.2 | 86.5 | 0 | 0 | 0 | 0 | 112.7 | A801 R805 M820 F821 Q822 E828 | A801-S824 WeakPolarHBondContact CB-O 3.5Å; R805-S824 PolarHBondContact NE-OG 3.34Å; M820-S824 WeakPolarHBondContact O-CB 3.47Å; M820-S824 PolarHBondContact O-N 3.43Å; F821-S824 PolarHBondContact O-N 3.24Å; F821-S824 PolarHBondContact O-OG 3.18Å; Q822-S824 PolarHBondContact O-N 3.46Å; S824-E828 PolarHBondContact O-N 2.93Å |
| 825 | R | 93.3 | Very high | 91.1 | Very high | 144 Ų | 144 | 48 Ų | 48 | 54% | 0.543 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.8 | -36.1 | 174.1 | -70 | 171.8 | -177.2 | 149.3 | 3.6 | 111.1 | E818 F821 Q822 Y823 E828 S829 | E818-R825 IonicContact OE1-NH1 2.88Å; E818-R825 PolarHBondContact OE1-NH1 3.38Å; F821-R825 WeakPolarHBondContact O-CG 3.33Å; F821-R825 PolarHBondContact O-N 3.14Å; Q822-R825 WeakPolarHBondContact O-CB 2.95Å; Q822-R825 PolarHBondContact O-N 2.97Å; Y823-R825 VanDerWaalsContact C-N 3.34Å; Y823-R825 PolarHBondContact O-N 3.33Å; R825-E828 PolarHBondContact O-N 2.77Å; R825-S829 WeakPolarHBondContact O-CB 3.38Å; R825-S829 PolarHBondContact O-N 3.31Å |
| 826 | S | 92.2 | Very high | 91.4 | Very high | 47 Ų | 47 | 44 Ų | 44 | 33% | 0.329 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.4 | -49.3 | 173.5 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | Q822 Y823 S829 K830 | Q822-S826 PolarHBondContact O-N 3.4Å; Y823-S826 WeakPolarHBondContact O-CB 3.4Å; Y823-S826 PolarHBondContact O-N 3.29Å; S826-S829 WeakPolarHBondContact O-CB 3.42Å; S826-S829 PolarHBondContact O-N 2.8Å; S826-K830 WeakPolarHBondContact O-CG 3.47Å; S826-K830 PolarHBondContact O-N 3.2Å |
| 827 | F | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.3 | -37.5 | 174.9 | -81.4 | -65.6 | 0 | 0 | 0 | 113.7 | F771 L775 W787 A797 A800 A801 L804 Y823 S829 K830 A831 | F771-F827 HydrophobicContact CE2-CE1 4.06Å; F771-F827 AromaticContact CE2-CZ 3.83Å; F771-F827 HydrophobicContact CE2-CZ 3.83Å; F771-F827 HydrophobicContact CZ-CE1 4.06Å; F771-F827 HydrophobicContact CZ-CZ 4.09Å; L775-F827 HydrophobicContact CD2-CE2 3.79Å; L775-F827 HydrophobicContact CD2-CZ 4.31Å; W787-F827 HydrophobicContact CB-CE1 4.37Å; W787-F827 HydrophobicContact CD2-CE1 4.36Å; W787-F827 HydrophobicContact CG-CE1 4.08Å; A797-F827 HydrophobicContact CB-CD1 4.16Å; A797-F827 WeakPolarHBondContact O-CB 3.48Å; A800-F827 HydrophobicContact CB-CB 4.21Å; A800-F827 HydrophobicContact CB-CD1 4.06Å; A800-F827 HydrophobicContact CB-CD2 3.62Å; A800-F827 HydrophobicContact CB-CE1 4.34Å; A800-F827 HydrophobicContact CB-CE2 3.87Å; A800-F827 HydrophobicContact CB-CG 3.71Å; A800-F827 HydrophobicContact CB-CZ 4.25Å; A801-F827 HydrophobicContact CB-CB 4.3Å; L804-F827 HydrophobicContact CD1-CD2 3.83Å; L804-F827 HydrophobicContact CD1-CE2 4.15Å; Y823-F827 HydrophobicContact CD1-CE2 4.13Å; Y823-F827 HydrophobicContact CD2-CD2 4.38Å; Y823-F827 HydrophobicContact CD2-CE2 4.18Å; Y823-F827 HydrophobicContact CE1-CD2 4.41Å; Y823-F827 AromaticContact CE1-CE2 3.58Å; Y823-F827 HydrophobicContact CE1-CE2 3.58Å; Y823-F827 HydrophobicContact CE1-CZ 4.39Å; Y823-F827 HydrophobicContact CE2-CD2 4.2Å; Y823-F827 AromaticContact CE2-CE2 3.62Å; Y823-F827 HydrophobicContact CE2-CE2 3.62Å; Y823-F827 HydrophobicContact CE2-CZ 4.16Å; Y823-F827 HydrophobicContact CG-CE2 4.39Å; Y823-F827 AromaticContact CZ-CE2 3.26Å; Y823-F827 AromaticContact CZ-CZ 3.76Å; Y823-F827 PolarHBondContact O-N 2.93Å; Y823-F827 WeakPolarHBondContact OH-CE2 3.31Å; Y823-F827 WeakPolarHBondContact OH-CZ 3.43Å; F827-S829 VanDerWaalsContact C-N 3.32Å; F827-S829 PolarHBondContact O-N 2.85Å; F827-K830 HydrophobicContact CD1-CD 3.98Å; F827-K830 HydrophobicContact CE1-CD 4.29Å; F827-K830 PolarHBondContact O-N 3.48Å; F827-A831 WeakPolarHBondContact O-CB 3.44Å; F827-A831 PolarHBondContact O-N 3.47Å |
| 828 | E | 94.1 | Very high | 91.8 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 172.3 | -167.1 | -175.6 | 176.1 | 0 | 0 | 111.5 | A801 R805 S824 R825 A831 Y832 S871 M872 S873 | A801-E828 HydrophobicContact CB-CB 4.36Å; R805-E828 IonicContact CZ-OE2 3.52Å; R805-E828 IonicContact NH1-OE2 2.73Å; R805-E828 IonicContact NH2-OE2 3.3Å; R805-E828 PolarHBondContact NH2-OE2 3.32Å; S824-E828 PolarHBondContact O-N 2.93Å; R825-E828 PolarHBondContact O-N 2.77Å; E828-A831 PolarHBondContact O-N 2.74Å; E828-Y832 WeakPolarHBondContact O-CB 3.39Å; E828-Y832 PolarHBondContact O-N 3.24Å; E828-S871 VanDerWaalsContact OE1-CA 3.22Å; E828-S871 WeakPolarHBondContact OE1-CA 3.32Å; E828-M872 PolarHBondContact OE1-N 2.86Å; E828-S873 WeakPolarHBondContact CG-OG 3.18Å; E828-S873 WeakPolarHBondContact OE1-CB 3.3Å; E828-S873 PolarHBondContact OE1-N 2.85Å; E828-S873 PolarHBondContact OE1-OG 3.33Å |
| 829 | S | 92.2 | Very high | 92 | Very high | 60 Ų | 60 | 36.2 Ų | 36.2 | 42% | 0.42 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.4 | -37.9 | 175.8 | -174.4 | 0 | 0 | 0 | 0 | 112.7 | R825 S826 F827 Y832 S833 | R825-S829 WeakPolarHBondContact O-CB 3.38Å; R825-S829 PolarHBondContact O-N 3.31Å; S826-S829 WeakPolarHBondContact O-CB 3.42Å; S826-S829 PolarHBondContact O-N 2.8Å; F827-S829 VanDerWaalsContact C-N 3.32Å; F827-S829 PolarHBondContact O-N 2.85Å; S829-Y832 PolarHBondContact O-N 2.78Å; S829-S833 WeakPolarHBondContact O-CB 3.42Å; S829-S833 PolarHBondContact O-N 2.93Å; S829-S833 PolarHBondContact O-OG 2.83Å |
| 830 | K | 91.3 | Very high | 92.1 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 10% | 0.1 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 171.6 | -72.6 | 172.2 | -178.9 | -174.3 | 0 | 111.1 | D784 W787 S826 F827 S833 L834 | D784-K830 IonicContact OD1-NZ 3.27Å; D784-K830 PolarHBondContact OD1-NZ 2.81Å; D784-K830 IonicContact OD2-NZ 2.71Å; D784-K830 PolarHBondContact OD2-NZ 3.07Å; W787-K830 HydrophobicContact CE3-CD 4.15Å; W787-K830 HydrophobicContact CH2-CB 3.77Å; W787-K830 HydrophobicContact CH2-CD 4.07Å; W787-K830 HydrophobicContact CH2-CG 4.17Å; W787-K830 HydrophobicContact CZ2-CB 4.13Å; W787-K830 HydrophobicContact CZ3-CB 4.36Å; W787-K830 HydrophobicContact CZ3-CD 3.81Å; W787-K830 HydrophobicContact CZ3-CG 4.27Å; S826-K830 WeakPolarHBondContact O-CG 3.47Å; S826-K830 PolarHBondContact O-N 3.2Å; F827-K830 HydrophobicContact CD1-CD 3.98Å; F827-K830 HydrophobicContact CE1-CD 4.29Å; F827-K830 PolarHBondContact O-N 3.48Å; K830-S833 PolarHBondContact O-N 3.26Å; K830-L834 VanDerWaalsContact O-CB 3.31Å; K830-L834 WeakPolarHBondContact O-CB 3.21Å; K830-L834 PolarHBondContact O-N 2.78Å |
| 831 | A | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L794 A797 L798 F827 E828 L835 F874 | L794-A831 HydrophobicContact CD1-CB 4.34Å; L794-A831 WeakPolarHBondContact CD1-O 3.11Å; A797-A831 HydrophobicContact CB-CB 3.88Å; L798-A831 HydrophobicContact CD2-CB 3.81Å; L798-A831 HydrophobicContact CG-CB 3.97Å; F827-A831 WeakPolarHBondContact O-CB 3.44Å; F827-A831 PolarHBondContact O-N 3.47Å; E828-A831 PolarHBondContact O-N 2.74Å; A831-L835 WeakPolarHBondContact O-CB 3.49Å; A831-L835 PolarHBondContact O-N 3.4Å; A831-F874 HydrophobicContact CB-CD2 3.94Å; A831-F874 HydrophobicContact CB-CE2 4.11Å |
| 832 | Y | 92.6 | Very high | 91.9 | Very high | 97 Ų | 97 | 42.9 Ų | 42.9 | 38% | 0.38 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 174.4 | 175.9 | -82.5 | 0 | 0 | 0 | 111.8 | E828 S829 L835 T836 S873 H877 | E828-Y832 WeakPolarHBondContact O-CB 3.39Å; E828-Y832 PolarHBondContact O-N 3.24Å; S829-Y832 PolarHBondContact O-N 2.78Å; Y832-L835 PolarHBondContact O-N 3.35Å; Y832-T836 PolarHBondContact O-N 3.03Å; Y832-T836 PolarHBondContact O-OG1 3.22Å; Y832-S873 WeakPolarHBondContact CD2-O 3.46Å; Y832-H877 HydrophobicContact CD2-CB 4.22Å; Y832-H877 AromaticContact CD2-CD2 3.7Å; Y832-H877 HydrophobicContact CE2-CB 4.16Å; Y832-H877 AromaticContact CE2-CD2 3.51Å; Y832-H877 AromaticContact CZ-CD2 3.82Å |
| 833 | S | 90.2 | Very high | 91.8 | Very high | 17 Ų | 17 | 42 Ų | 42 | 12% | 0.119 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.8 | -41.7 | -177.3 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | S829 K830 L835 T836 E837 Y1331 | S829-S833 WeakPolarHBondContact O-CB 3.42Å; S829-S833 PolarHBondContact O-N 2.93Å; S829-S833 PolarHBondContact O-OG 2.83Å; K830-S833 PolarHBondContact O-N 3.26Å; S833-L835 VanDerWaalsContact C-N 3.35Å; S833-L835 PolarHBondContact O-N 3.03Å; S833-T836 VanDerWaalsContact O-CB 3.31Å; S833-T836 WeakPolarHBondContact O-CB 3.31Å; S833-T836 PolarHBondContact O-N 3.19Å; S833-T836 VanDerWaalsContact O-N 3.12Å; S833-E837 PolarHBondContact O-N 3.17Å; S833-E837 VanDerWaalsContact O-N 3.1Å; S833-Y1331 VanDerWaalsContact CB-CE2 3.47Å |
| 834 | L | 92 | Very high | 91.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 174 | 178.7 | 60 | 0 | 0 | 0 | 111.9 | P793 L794 K830 T836 E837 C838 F1328 Y1331 | P793-L834 HydrophobicContact CB-CD2 4.19Å; P793-L834 HydrophobicContact CG-CD2 4.2Å; L794-L834 HydrophobicContact CB-CD2 4.01Å; L794-L834 HydrophobicContact CD1-CB 4.25Å; L794-L834 HydrophobicContact CD1-CD2 4.01Å; L794-L834 HydrophobicContact CD1-CG 4.15Å; K830-L834 VanDerWaalsContact O-CB 3.31Å; K830-L834 WeakPolarHBondContact O-CB 3.21Å; K830-L834 PolarHBondContact O-N 2.78Å; L834-T836 VanDerWaalsContact C-N 3.28Å; L834-T836 PolarHBondContact O-N 3.02Å; L834-E837 PolarHBondContact O-N 2.93Å; L834-C838 PolarHBondContact O-N 3.18Å; L834-C838 PolarHBondContact O-SG 3.41Å; L834-F1328 HydrophobicContact CD1-CB 3.99Å; L834-F1328 HydrophobicContact CD1-CD2 4.25Å; L834-F1328 HydrophobicContact CD2-CD2 4.11Å; L834-Y1331 HydrophobicContact CB-CG 4.42Å; L834-Y1331 HydrophobicContact CD1-CD1 4.21Å; L834-Y1331 HydrophobicContact CD1-CG 3.96Å |
| 835 | L | 93.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -34.2 | 173.3 | -177.4 | 61.9 | 0 | 0 | 0 | 111.9 | L794 A831 Y832 S833 C838 Y839 I850 F874 H877 C879 | L794-L835 HydrophobicContact CD1-CB 4.37Å; A831-L835 WeakPolarHBondContact O-CB 3.49Å; A831-L835 PolarHBondContact O-N 3.4Å; Y832-L835 PolarHBondContact O-N 3.35Å; S833-L835 VanDerWaalsContact C-N 3.35Å; S833-L835 PolarHBondContact O-N 3.03Å; L835-C838 PolarHBondContact O-N 2.98Å; L835-Y839 WeakPolarHBondContact O-CB 3.03Å; L835-Y839 PolarHBondContact O-N 3.36Å; L835-I850 HydrophobicContact CD1-CG2 3.55Å; L835-F874 HydrophobicContact CB-CE2 3.97Å; L835-F874 HydrophobicContact CD2-CD2 4.16Å; L835-F874 HydrophobicContact CD2-CE1 4.25Å; L835-F874 HydrophobicContact CD2-CE2 3.63Å; L835-F874 HydrophobicContact CD2-CZ 3.68Å; L835-F874 HydrophobicContact CG-CE2 4.34Å; L835-H877 HydrophobicContact CD2-CB 4Å; L835-C879 HydrophobicContact CD1-CB 4.17Å; L835-C879 HydrophobicContact CD2-CB 4.11Å; L835-C879 HydrophobicContact CG-CB 4.09Å |
| 836 | T | 92.1 | Very high | 91.1 | Very high | 32 Ų | 32 | 37 Ų | 37 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -47.2 | 176.2 | -54.5 | 0 | 0 | 0 | 0 | 111 | Y832 S833 L834 Y839 N840 H877 | Y832-T836 PolarHBondContact O-N 3.03Å; Y832-T836 PolarHBondContact O-OG1 3.22Å; S833-T836 VanDerWaalsContact O-CB 3.31Å; S833-T836 WeakPolarHBondContact O-CB 3.31Å; S833-T836 PolarHBondContact O-N 3.19Å; S833-T836 VanDerWaalsContact O-N 3.12Å; L834-T836 VanDerWaalsContact C-N 3.28Å; L834-T836 PolarHBondContact O-N 3.02Å; T836-Y839 PolarHBondContact O-N 3.22Å; T836-N840 WeakPolarHBondContact O-CB 3.39Å; T836-N840 PolarHBondContact O-N 3.2Å; T836-N840 PolarHBondContact O-ND2 3.19Å; T836-N840 PolarHBondContact O-OD1 3.34Å; T836-H877 WeakPolarHBondContact CA-NE2 3.34Å; T836-H877 WeakPolarHBondContact CB-NE2 3.27Å; T836-H877 VanDerWaalsContact CG2-NE2 3.25Å; T836-H877 WeakPolarHBondContact CG2-NE2 3.47Å; T836-H877 PolarHBondContact N-NE2 3.44Å; T836-H877 VanDerWaalsContact N-NE2 3.13Å; T836-H877 PolarHBondContact OG1-NE2 3.37Å |
| 837 | E | 88.7 | Confident | 91.1 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 24% | 0.238 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -44.5 | 175.5 | -67 | -52.5 | 115.5 | 0 | 0 | 112.6 | S833 L834 Y839 N840 D841 Y1331 I1335 | S833-E837 PolarHBondContact O-N 3.17Å; S833-E837 VanDerWaalsContact O-N 3.1Å; L834-E837 PolarHBondContact O-N 2.93Å; E837-Y839 VanDerWaalsContact C-N 3.31Å; E837-Y839 PolarHBondContact O-N 2.67Å; E837-N840 PolarHBondContact O-N 3.26Å; E837-D841 PolarHBondContact O-N 2.48Å; E837-D841 VanDerWaalsContact O-N 3.08Å; E837-Y1331 HydrophobicContact CG-CD2 3.99Å; E837-I1335 HydrophobicContact CG-CD1 3.73Å; E837-I1335 WeakPolarHBondContact OE1-CD1 3.15Å |
| 838 | C | 90.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.5 | -45.3 | 174.2 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | L834 L835 D841 N842 S846 W1323 | L834-C838 PolarHBondContact O-N 3.18Å; L834-C838 PolarHBondContact O-SG 3.41Å; L835-C838 PolarHBondContact O-N 2.98Å; C838-D841 PolarHBondContact O-N 3.18Å; C838-N842 PolarHBondContact O-N 2.8Å; C838-S846 WeakPolarHBondContact CB-OG 3Å; C838-S846 PolarHBondContact O-OG 2.88Å; C838-W1323 HydrophobicContact CB-CH2 3.8Å; C838-W1323 HydrophobicContact CB-CZ3 4.36Å |
| 839 | Y | 92.1 | Very high | 90.6 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 4% | 0.043 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69 | -36.5 | -178.2 | 178.9 | -99.9 | 0 | 0 | 0 | 112.8 | L835 T836 E837 Q843 S846 F847 H877 Q878 C879 Q882 | L835-Y839 WeakPolarHBondContact O-CB 3.03Å; L835-Y839 PolarHBondContact O-N 3.36Å; T836-Y839 PolarHBondContact O-N 3.22Å; E837-Y839 VanDerWaalsContact C-N 3.31Å; E837-Y839 PolarHBondContact O-N 2.67Å; Y839-Q843 HydrophobicContact CD2-CB 4.18Å; Y839-Q843 HydrophobicContact CD2-CG 3.88Å; Y839-Q843 HydrophobicContact CE2-CB 3.99Å; Y839-Q843 HydrophobicContact CE2-CG 3.6Å; Y839-Q843 HydrophobicContact CG-CG 4.45Å; Y839-Q843 WeakPolarHBondContact O-CG 3.33Å; Y839-Q843 PolarHBondContact O-N 3.07Å; Y839-S846 WeakPolarHBondContact CA-OG 3.03Å; Y839-S846 PolarHBondContact N-OG 2.9Å; Y839-S846 VanDerWaalsContact N-OG 3.11Å; Y839-F847 HydrophobicContact CE2-CE1 4.34Å; Y839-F847 HydrophobicContact CE2-CZ 4.41Å; Y839-H877 WeakPolarHBondContact CB-CE1 3.33Å; Y839-H877 AromaticContact CD1-CE1 3.46Å; Y839-H877 VanDerWaalsContact CD1-CE1 3.46Å; Y839-H877 WeakPolarHBondContact CD1-CE1 3.44Å; Y839-H877 AromaticContact CG-CE1 3.28Å; Y839-Q878 HydrophobicContact CE1-CG 4.15Å; Y839-Q878 PolarHBondContact OH-NE2 3.18Å; Y839-C879 HydrophobicContact CD2-CB 3.42Å; Y839-C879 VanDerWaalsContact CD2-CB 3.42Å; Y839-C879 HydrophobicContact CE2-CB 4.05Å; Y839-C879 HydrophobicContact CG-CB 3.88Å; Y839-Q882 PolarHBondContact OH-NE2 3.5Å; Y839-Q882 VanDerWaalsContact OH-NE2 3.17Å; Y839-Q882 PolarHBondContact OH-OE1 3.1Å |
| 840 | N | 89.9 | Confident | 90.6 | Very high | 108 Ų | 108 | 35.7 Ų | 35.7 | 58% | 0.578 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -66.2 | -39.6 | 175.2 | -70.8 | -16.8 | 0 | 0 | 0 | 112.2 | T836 E837 | T836-N840 WeakPolarHBondContact O-CB 3.39Å; T836-N840 PolarHBondContact O-N 3.2Å; T836-N840 PolarHBondContact O-ND2 3.19Å; T836-N840 PolarHBondContact O-OD1 3.34Å; E837-N840 PolarHBondContact O-N 3.26Å |
| 841 | D | 89.5 | Confident | 90.6 | Very high | 75 Ų | 75 | 35.2 Ų | 35.2 | 40% | 0.401 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -70 | -56.6 | 174.4 | 172.3 | 68.1 | 0 | 0 | 0 | 112.3 | E837 C838 W1323 R1327 | E837-D841 PolarHBondContact O-N 2.48Å; E837-D841 VanDerWaalsContact O-N 3.08Å; C838-D841 PolarHBondContact O-N 3.18Å; D841-W1323 WeakPolarHBondContact OD2-CZ2 3.38Å; D841-W1323 PolarHBondContact OD2-NE1 3.39Å; D841-R1327 VanDerWaalsContact CG-CZ 3.47Å; D841-R1327 IonicContact OD1-CZ 3.82Å; D841-R1327 IonicContact OD1-NE 3.38Å; D841-R1327 PolarHBondContact OD1-NE 2.91Å; D841-R1327 IonicContact OD1-NH2 3.3Å; D841-R1327 PolarHBondContact OD1-NH2 3.16Å; D841-R1327 IonicContact OD2-CZ 3.62Å; D841-R1327 IonicContact OD2-NE 2.66Å; D841-R1327 PolarHBondContact OD2-NE 3.26Å; D841-R1327 IonicContact OD2-NH2 2.9Å; D841-R1327 PolarHBondContact OD2-NH2 2.68Å; D841-R1327 VanDerWaalsContact OD2-NH2 3.08Å |
| 842 | N | 89.4 | Confident | 90.4 | Very high | 57 Ų | 57 | 35.2 Ų | 35.2 | 31% | 0.305 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -154 | 95.6 | -175.4 | -163.6 | -39.9 | 0 | 0 | 0 | 112.8 | C838 S844 L845 S846 W1323 | C838-N842 PolarHBondContact O-N 2.8Å; N842-S844 PolarHBondContact O-N 2.93Å; N842-S844 VanDerWaalsContact O-N 3.13Å; N842-S844 WeakPolarHBondContact OD1-CA 3.49Å; N842-S844 WeakPolarHBondContact OD1-CB 3.38Å; N842-S844 PolarHBondContact OD1-N 2.81Å; N842-S844 PolarHBondContact OD1-OG 3.47Å; N842-L845 HydrophobicContact CB-CB 4.09Å; N842-L845 HydrophobicContact CB-CD1 3.99Å; N842-L845 HydrophobicContact CB-CG 4.11Å; N842-L845 PolarHBondContact O-N 3.34Å; N842-L845 PolarHBondContact OD1-N 2.91Å; N842-S846 PolarHBondContact O-N 2.96Å; N842-S846 PolarHBondContact O-OG 3.28Å; N842-W1323 HydrophobicContact CB-CZ2 4.05Å |
| 843 | Q | 89.4 | Confident | 90.1 | Very high | 97 Ų | 97 | 32.3 Ų | 32.3 | 45% | 0.453 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -47.2 | -42.1 | 173.3 | -54.2 | -179.7 | -3.9 | 0 | 0 | 112.6 | Y839 L845 S846 F847 | Y839-Q843 HydrophobicContact CD2-CB 4.18Å; Y839-Q843 HydrophobicContact CD2-CG 3.88Å; Y839-Q843 HydrophobicContact CE2-CB 3.99Å; Y839-Q843 HydrophobicContact CE2-CG 3.6Å; Y839-Q843 HydrophobicContact CG-CG 4.45Å; Y839-Q843 WeakPolarHBondContact O-CG 3.33Å; Y839-Q843 PolarHBondContact O-N 3.07Å; Q843-L845 VanDerWaalsContact C-N 3.34Å; Q843-L845 PolarHBondContact O-N 3.42Å; Q843-S846 PolarHBondContact O-N 3.28Å; Q843-F847 HydrophobicContact CB-CE2 4.4Å; Q843-F847 HydrophobicContact CB-CZ 4.43Å; Q843-F847 WeakPolarHBondContact O-CD2 3.17Å; Q843-F847 WeakPolarHBondContact O-CG 3.4Å; Q843-F847 PolarHBondContact O-N 3.18Å; Q843-F847 VanDerWaalsContact O-N 3.09Å |
| 844 | S | 86.5 | Confident | 89.9 | Confident | 38 Ų | 38 | 31.6 Ų | 31.6 | 27% | 0.266 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -72.8 | -22 | -176.9 | 87.5 | 0 | 0 | 0 | 0 | 114.6 | N842 K848 | N842-S844 PolarHBondContact O-N 2.93Å; N842-S844 VanDerWaalsContact O-N 3.13Å; N842-S844 WeakPolarHBondContact OD1-CA 3.49Å; N842-S844 WeakPolarHBondContact OD1-CB 3.38Å; N842-S844 PolarHBondContact OD1-N 2.81Å; N842-S844 PolarHBondContact OD1-OG 3.47Å; S844-K848 WeakPolarHBondContact O-CD 3.45Å; S844-K848 VanDerWaalsContact O-CE 3.27Å; S844-K848 WeakPolarHBondContact O-CE 3.5Å; S844-K848 WeakPolarHBondContact O-CG 3.29Å; S844-K848 PolarHBondContact O-NZ 3.32Å |
| 845 | L | 89.1 | Confident | 89.3 | Confident | 42 Ų | 42 | 37 Ų | 37 | 22% | 0.22 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -88.2 | -41.7 | 173.4 | -66.9 | 177.4 | 0 | 0 | 0 | 110.1 | N842 Q843 F847 K848 T849 L1320 W1323 | N842-L845 HydrophobicContact CB-CB 4.09Å; N842-L845 HydrophobicContact CB-CD1 3.99Å; N842-L845 HydrophobicContact CB-CG 4.11Å; N842-L845 PolarHBondContact O-N 3.34Å; N842-L845 PolarHBondContact OD1-N 2.91Å; Q843-L845 VanDerWaalsContact C-N 3.34Å; Q843-L845 PolarHBondContact O-N 3.42Å; L845-F847 VanDerWaalsContact C-N 3.3Å; L845-F847 PolarHBondContact O-N 3.25Å; L845-K848 HydrophobicContact CD2-CD 4.32Å; L845-K848 CarbonylContact O-C 3.55Å; L845-K848 WeakPolarHBondContact O-CA 3.11Å; L845-K848 WeakPolarHBondContact O-CB 3.31Å; L845-K848 PolarHBondContact O-N 3.46Å; L845-T849 PolarHBondContact O-N 3.28Å; L845-T849 PolarHBondContact O-OG1 3.06Å; L845-L1320 HydrophobicContact CD2-CD2 4.18Å; L845-W1323 HydrophobicContact CB-CD2 4.01Å; L845-W1323 HydrophobicContact CB-CE3 3.9Å; L845-W1323 HydrophobicContact CB-CH2 3.49Å; L845-W1323 VanDerWaalsContact CB-CH2 3.49Å; L845-W1323 HydrophobicContact CB-CZ2 3.6Å; L845-W1323 HydrophobicContact CB-CZ3 3.65Å; L845-W1323 HydrophobicContact CD1-CD2 3.86Å; L845-W1323 HydrophobicContact CD1-CG 4.07Å; L845-W1323 HydrophobicContact CD1-CZ2 4.04Å; L845-W1323 HydrophobicContact CG-CZ2 4.46Å |
| 846 | S | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -52.7 | -45.7 | 173.4 | -63.7 | 0 | 0 | 0 | 0 | 112.8 | C838 Y839 N842 Q843 K848 T849 I850 | C838-S846 WeakPolarHBondContact CB-OG 3Å; C838-S846 PolarHBondContact O-OG 2.88Å; Y839-S846 WeakPolarHBondContact CA-OG 3.03Å; Y839-S846 PolarHBondContact N-OG 2.9Å; Y839-S846 VanDerWaalsContact N-OG 3.11Å; N842-S846 PolarHBondContact O-N 2.96Å; N842-S846 PolarHBondContact O-OG 3.28Å; Q843-S846 PolarHBondContact O-N 3.28Å; S846-K848 PolarHBondContact O-N 3.19Å; S846-T849 PolarHBondContact O-N 3.41Å; S846-T849 VanDerWaalsContact O-N 3.12Å; S846-I850 PolarHBondContact O-N 2.91Å |
| 847 | F | 90.6 | Very high | 88.3 | Confident | 17 Ų | 17 | 36.6 Ų | 36.6 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.6 | -33.1 | 173.5 | -64.4 | -24.2 | 0 | 0 | 0 | 113.6 | Y839 Q843 L845 I851 C879 Q882 Y883 | Y839-F847 HydrophobicContact CE2-CE1 4.34Å; Y839-F847 HydrophobicContact CE2-CZ 4.41Å; Q843-F847 HydrophobicContact CB-CE2 4.4Å; Q843-F847 HydrophobicContact CB-CZ 4.43Å; Q843-F847 WeakPolarHBondContact O-CD2 3.17Å; Q843-F847 WeakPolarHBondContact O-CG 3.4Å; Q843-F847 PolarHBondContact O-N 3.18Å; Q843-F847 VanDerWaalsContact O-N 3.09Å; L845-F847 VanDerWaalsContact C-N 3.3Å; L845-F847 PolarHBondContact O-N 3.25Å; F847-I851 WeakPolarHBondContact O-CG1 3.42Å; F847-C879 WeakPolarHBondContact CE1-O 3.34Å; F847-Q882 HydrophobicContact CE1-CB 4.3Å; F847-Q882 HydrophobicContact CZ-CB 4.09Å; F847-Y883 HydrophobicContact CB-CD2 3.59Å; F847-Y883 HydrophobicContact CB-CE2 3.95Å; F847-Y883 AromaticContact CD1-CD2 3.76Å; F847-Y883 HydrophobicContact CD1-CD2 3.76Å; F847-Y883 HydrophobicContact CD1-CG 4.15Å; F847-Y883 HydrophobicContact CD2-CD2 4.4Å; F847-Y883 AromaticContact CG-CD2 3.67Å; F847-Y883 HydrophobicContact CG-CD2 3.67Å; F847-Y883 HydrophobicContact CG-CE2 4.45Å; F847-Y883 HydrophobicContact CG-CG 4.49Å |
| 848 | K | 89.2 | Confident | 87.8 | Confident | 80 Ų | 80 | 34.2 Ų | 34.2 | 35% | 0.348 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -80 | -31.6 | 176.6 | -64.3 | 165.5 | -169.2 | 139.4 | 0 | 112 | S844 L845 S846 I851 L852 L1320 | S844-K848 WeakPolarHBondContact O-CD 3.45Å; S844-K848 VanDerWaalsContact O-CE 3.27Å; S844-K848 WeakPolarHBondContact O-CE 3.5Å; S844-K848 WeakPolarHBondContact O-CG 3.29Å; S844-K848 PolarHBondContact O-NZ 3.32Å; L845-K848 HydrophobicContact CD2-CD 4.32Å; L845-K848 CarbonylContact O-C 3.55Å; L845-K848 WeakPolarHBondContact O-CA 3.11Å; L845-K848 WeakPolarHBondContact O-CB 3.31Å; L845-K848 PolarHBondContact O-N 3.46Å; S846-K848 PolarHBondContact O-N 3.19Å; K848-I851 WeakPolarHBondContact O-CG1 3.4Å; K848-L852 PolarHBondContact O-N 3.13Å; K848-L1320 HydrophobicContact CB-CD1 4.14Å; K848-L1320 HydrophobicContact CB-CD2 3.93Å; K848-L1320 HydrophobicContact CD-CD2 4.43Å |
| 849 | T | 89.2 | Confident | 87.5 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.6 | -40.3 | -178.3 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | L794 L845 S846 I851 L852 R854 W1323 E1324 | L794-T849 HydrophobicContact CD2-CG2 4.27Å; L845-T849 PolarHBondContact O-N 3.28Å; L845-T849 PolarHBondContact O-OG1 3.06Å; S846-T849 PolarHBondContact O-N 3.41Å; S846-T849 VanDerWaalsContact O-N 3.12Å; T849-I851 PolarHBondContact O-N 2.8Å; T849-L852 WeakPolarHBondContact O-CB 3.49Å; T849-L852 PolarHBondContact O-N 2.85Å; T849-R854 PolarHBondContact O-NH2 2.97Å; T849-W1323 WeakPolarHBondContact OG1-CZ3 3.22Å; T849-E1324 HydrophobicContact CG2-CB 4.08Å; T849-E1324 HydrophobicContact CG2-CG 4.05Å; T849-E1324 VanDerWaalsContact CG2-OE2 3.29Å; T849-E1324 WeakPolarHBondContact CG2-OE2 3.47Å |
| 850 | I | 92 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -22.1 | 179.2 | 64.4 | 179.3 | 0 | 0 | 0 | 113.8 | L794 L835 S846 C862 L863 F874 Y883 | L794-I850 HydrophobicContact CD2-CG2 4.43Å; L835-I850 HydrophobicContact CD1-CG2 3.55Å; S846-I850 PolarHBondContact O-N 2.91Å; I850-C862 PolarHBondContact O-N 3.06Å; I850-L863 PolarHBondContact O-N 3.33Å; I850-F874 HydrophobicContact CG2-CZ 4.4Å; I850-Y883 HydrophobicContact CD1-CD1 4.08Å; I850-Y883 HydrophobicContact CD1-CG 3.97Å |
| 851 | I | 90.7 | Very high | 87.3 | Confident | 13 Ų | 13 | 36.3 Ų | 36.3 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -3.3 | 178.8 | 69.8 | -179 | 0 | 0 | 0 | 113.9 | F847 K848 T849 E853 Y883 P1305 K1307 K1308 | F847-I851 WeakPolarHBondContact O-CG1 3.42Å; K848-I851 WeakPolarHBondContact O-CG1 3.4Å; T849-I851 PolarHBondContact O-N 2.8Å; I851-E853 PolarHBondContact O-N 3.16Å; I851-Y883 WeakPolarHBondContact CD1-OH 3.5Å; I851-Y883 HydrophobicContact CG2-CD1 4.19Å; I851-Y883 HydrophobicContact CG2-CE1 3.39Å; I851-Y883 HydrophobicContact CG2-CE2 4.48Å; I851-P1305 WeakPolarHBondContact CG2-O 3.25Å; I851-K1307 WeakPolarHBondContact O-CA 3.39Å; I851-K1308 HydrophobicContact CD1-CB 4.15Å; I851-K1308 HydrophobicContact CG1-CB 4.12Å; I851-K1308 PolarHBondContact O-N 2.86Å |
| 852 | L | 88.6 | Confident | 87.4 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 127.1 | -178.6 | 176.7 | 56.5 | 0 | 0 | 0 | 110.4 | K848 T849 S861 Y1310 E1317 L1320 I1321 | K848-L852 PolarHBondContact O-N 3.13Å; T849-L852 WeakPolarHBondContact O-CB 3.49Å; T849-L852 PolarHBondContact O-N 2.85Å; L852-S861 WeakPolarHBondContact O-CA 3.42Å; L852-Y1310 HydrophobicContact CD1-CD2 3.44Å; L852-Y1310 VanDerWaalsContact CD1-CD2 3.44Å; L852-Y1310 HydrophobicContact CD1-CE2 3.72Å; L852-E1317 HydrophobicContact CD1-CG 4.38Å; L852-L1320 HydrophobicContact CD2-CB 4.05Å; L852-I1321 HydrophobicContact CD2-CG1 4.02Å |
| 853 | E | 87.2 | Confident | 87.5 | Confident | 36 Ų | 36 | 30 Ų | 30 | 17% | 0.168 | 14% | 0.137 | C | C | . | . | trans | -64.1 | 130.2 | 172 | 174.5 | 169.8 | -160.8 | 0 | 0 | 111.4 | I851 R859 K1307 K1308 S1309 | I851-E853 PolarHBondContact O-N 3.16Å; E853-R859 HydrophobicContact CG-CB 4.34Å; E853-R859 VanDerWaalsContact OE1-CB 3.29Å; E853-R859 WeakPolarHBondContact OE1-CB 3.49Å; E853-K1307 HydrophobicContact CB-CG 4.29Å; E853-K1307 VanDerWaalsContact OE1-CE 3.25Å; E853-K1307 WeakPolarHBondContact OE1-CE 3.49Å; E853-K1307 IonicContact OE1-NZ 3.91Å; E853-K1307 PolarHBondContact OE1-NZ 3.06Å; E853-K1307 WeakPolarHBondContact OE2-CE 3.47Å; E853-K1307 IonicContact OE2-NZ 3.14Å; E853-K1308 PolarHBondContact N-O 3.12Å; E853-S1309 WeakPolarHBondContact OE2-CB 3.38Å | ||
| 854 | R | 85.9 | Confident | 87.5 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -114.4 | 116.6 | 179.9 | -54.6 | -66.3 | 172.7 | 133.2 | 12.3 | 110.8 | D792 P795 T849 L856 F857 R859 M860 E1324 | D792-R854 IonicContact OD1-CZ 2.75Å; D792-R854 IonicContact OD1-NH1 3.85Å; D792-R854 PolarHBondContact OD1-NH1 3.43Å; P795-R854 HydrophobicContact CB-CG 4.12Å; P795-R854 HydrophobicContact CG-CG 3.9Å; T849-R854 PolarHBondContact O-NH2 2.97Å; R854-L856 PolarHBondContact O-N 2.86Å; R854-F857 HydrophobicContact CB-CB 4.44Å; R854-F857 HydrophobicContact CB-CD2 4.3Å; R854-R859 WeakPolarHBondContact O-CA 3.05Å; R854-R859 PolarHBondContact O-N 3.48Å; R854-M860 PolarHBondContact N-O 2.93Å; R854-E1324 IonicContact CZ-OE2 3.48Å; R854-E1324 IonicContact NH1-OE1 3.87Å; R854-E1324 IonicContact NH1-OE2 2.89Å; R854-E1324 PolarHBondContact NH1-OE2 3.22Å; R854-E1324 IonicContact NH2-OE2 3.83Å; R854-E1324 PolarHBondContact NH2-OE2 3.07Å |
| 855 | K | 80.7 | Confident | 87.7 | Confident | 114 Ų | 114 | 24.3 Ų | 24.3 | 50% | 0.496 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -46.5 | -179.9 | -69.2 | -177.1 | -179.8 | 179.5 | 0 | 112.7 | F857 G858 P1312 | K855-F857 VanDerWaalsContact C-N 3.33Å; K855-F857 PolarHBondContact O-N 3.35Å; K855-G858 PolarHBondContact O-N 3.01Å; K855-P1312 VanDerWaalsContact NZ-CB 3.27Å |
| 856 | L | 80 | Confident | 87.9 | Confident | 24 Ų | 24 | 22.3 Ų | 22.3 | 13% | 0.126 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -42.4 | -175.5 | -63 | 172 | 0 | 0 | 0 | 111.8 | N765 R854 G858 | N765-L856 HydrophobicContact CB-CD1 4.22Å; N765-L856 HydrophobicContact CB-CD2 3.92Å; R854-L856 PolarHBondContact O-N 2.86Å; L856-G858 PolarHBondContact O-N 3.09Å; L856-G858 VanDerWaalsContact O-N 3.17Å |
| 857 | F | 84.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 47.5 | 178.8 | -56.9 | -70 | 0 | 0 | 0 | 111.9 | Y741 T768 V790 D792 P795 A796 F799 R854 K855 R859 M860 L865 | Y741-F857 VanDerWaalsContact CE2-C 3.4Å; T768-F857 HydrophobicContact CG2-CE1 4.16Å; T768-F857 HydrophobicContact CG2-CZ 3.92Å; V790-F857 HydrophobicContact CG1-CZ 4.35Å; D792-F857 HydrophobicContact CB-CE2 4.1Å; P795-F857 HydrophobicContact CB-CD2 3.67Å; P795-F857 HydrophobicContact CB-CE2 4.17Å; P795-F857 HydrophobicContact CB-CG 4.27Å; P795-F857 HydrophobicContact CG-CD2 3.71Å; P795-F857 HydrophobicContact CG-CE2 3.87Å; A796-F857 VanDerWaalsContact CA-CZ 3.48Å; A796-F857 HydrophobicContact CB-CE1 4.24Å; A796-F857 HydrophobicContact CB-CE2 4.07Å; A796-F857 HydrophobicContact CB-CZ 3.52Å; F799-F857 HydrophobicContact CB-CD1 3.62Å; F799-F857 HydrophobicContact CB-CE1 3.94Å; F799-F857 HydrophobicContact CB-CG 4.44Å; F799-F857 HydrophobicContact CD1-CD1 4.06Å; F799-F857 HydrophobicContact CD1-CE1 4.02Å; F799-F857 AromaticContact CD2-CD1 3.9Å; F799-F857 HydrophobicContact CD2-CD1 3.9Å; F799-F857 AromaticContact CG-CD1 3.57Å; F799-F857 HydrophobicContact CG-CD1 3.57Å; F799-F857 AromaticContact CG-CE1 3.95Å; F799-F857 HydrophobicContact CG-CE1 3.95Å; R854-F857 HydrophobicContact CB-CB 4.44Å; R854-F857 HydrophobicContact CB-CD2 4.3Å; K855-F857 VanDerWaalsContact C-N 3.33Å; K855-F857 PolarHBondContact O-N 3.35Å; F857-R859 VanDerWaalsContact C-N 3.35Å; F857-R859 PolarHBondContact O-N 3.15Å; F857-M860 PolarHBondContact O-N 2.97Å; F857-L865 HydrophobicContact CB-CD1 3.96Å |
| 858 | G | 77.5 | Confident | 87.6 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 29.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | C742 K855 L856 M860 | C742-G858 PolarHBondContact N-O 3Å; C742-G858 WeakPolarHBondContact O-CA 3.26Å; K855-G858 PolarHBondContact O-N 3.01Å; L856-G858 PolarHBondContact O-N 3.09Å; L856-G858 VanDerWaalsContact O-N 3.17Å; G858-M860 VanDerWaalsContact C-N 3.3Å; G858-M860 PolarHBondContact O-N 3.23Å |
| 859 | R | 84.2 | Confident | 87.5 | Confident | 158 Ų | 158 | 21.6 Ų | 21.6 | 60% | 0.596 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 25.3 | -179.7 | -64.7 | -171.3 | -170.2 | -175.1 | 3.4 | 115 | E853 R854 F857 K1307 | E853-R859 HydrophobicContact CG-CB 4.34Å; E853-R859 VanDerWaalsContact OE1-CB 3.29Å; E853-R859 WeakPolarHBondContact OE1-CB 3.49Å; R854-R859 WeakPolarHBondContact O-CA 3.05Å; R854-R859 PolarHBondContact O-N 3.48Å; F857-R859 VanDerWaalsContact C-N 3.35Å; F857-R859 PolarHBondContact O-N 3.15Å; R859-K1307 PolarHBondContact O-NZ 3.49Å |
| 860 | M | 87.5 | Confident | 87.5 | Confident | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -95.1 | 159.7 | 174.4 | -61 | 178.9 | 71 | 0 | 0 | 111.1 | Q740 Y741 R854 F857 G858 M864 L865 E868 | Q740-M860 HydrophobicContact CB-SD 4.49Å; Y741-M860 HydrophobicContact CD2-SD 4.3Å; R854-M860 PolarHBondContact N-O 2.93Å; F857-M860 PolarHBondContact O-N 2.97Å; G858-M860 VanDerWaalsContact C-N 3.3Å; G858-M860 PolarHBondContact O-N 3.23Å; M860-M864 HydrophobicContact CB-CB 4.28Å; M860-M864 HydrophobicContact CE-CB 3.97Å; M860-L865 HydrophobicContact CB-CD2 4.05Å; M860-L865 HydrophobicContact CB-CG 3.95Å; M860-L865 HydrophobicContact CE-CD2 4.14Å; M860-L865 HydrophobicContact SD-CD2 3.81Å; M860-E868 HydrophobicContact CE-CB 4.27Å; M860-E868 HydrophobicContact CE-CG 3.76Å |
| 861 | S | 90.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -92.7 | 165.6 | 166.8 | 69 | 0 | 0 | 0 | 0 | 111.2 | L852 L863 M864 L865 F1306 | L852-S861 WeakPolarHBondContact O-CA 3.42Å; S861-L863 VanDerWaalsContact C-N 3.26Å; S861-L863 PolarHBondContact O-N 3.15Å; S861-M864 PolarHBondContact O-N 3.39Å; S861-M864 VanDerWaalsContact O-N 3.16Å; S861-M864 WeakPolarHBondContact OG-CG 3.43Å; S861-M864 PolarHBondContact OG-N 3.2Å; S861-L865 WeakPolarHBondContact O-CG 3.41Å; S861-L865 PolarHBondContact O-N 3.28Å; S861-F1306 VanDerWaalsContact CB-O 3.25Å; S861-F1306 WeakPolarHBondContact CB-O 3.49Å; S861-F1306 PolarHBondContact OG-O 3.25Å | ||
| 862 | C | 92 | Very high | 87.3 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.8 | -40.8 | 176.2 | -56 | 0 | 0 | 0 | 0 | 111.6 | L794 L798 I850 M864 L865 A866 F874 | L794-C862 HydrophobicContact CD2-CB 4.44Å; L798-C862 HydrophobicContact CD1-CB 3.76Å; L798-C862 WeakPolarHBondContact CD1-O 3.47Å; I850-C862 PolarHBondContact O-N 3.06Å; C862-M864 VanDerWaalsContact C-N 3.34Å; C862-M864 PolarHBondContact O-N 3.3Å; C862-L865 PolarHBondContact O-N 3.02Å; C862-A866 WeakPolarHBondContact O-CB 3.21Å; C862-A866 PolarHBondContact O-N 3.32Å; C862-F874 HydrophobicContact CB-CZ 4.45Å |
| 863 | L | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.5 | -36.8 | 178.4 | -166.4 | 64.1 | 0 | 0 | 0 | 112.2 | I850 S861 A867 Y883 Y1262 F1306 | I850-L863 PolarHBondContact O-N 3.33Å; S861-L863 VanDerWaalsContact C-N 3.26Å; S861-L863 PolarHBondContact O-N 3.15Å; L863-A867 PolarHBondContact O-N 3.4Å; L863-A867 VanDerWaalsContact O-N 3.14Å; L863-Y883 HydrophobicContact CD2-CD1 4.39Å; L863-Y1262 HydrophobicContact CD1-CD2 4.3Å; L863-Y1262 HydrophobicContact CD2-CD2 3.84Å; L863-Y1262 HydrophobicContact CD2-CE2 3.66Å; L863-Y1262 HydrophobicContact CG-CD2 3.82Å; L863-Y1262 HydrophobicContact CG-CE2 3.58Å; L863-F1306 HydrophobicContact CD2-CB 4.4Å; L863-F1306 HydrophobicContact CD2-CD1 3.77Å; L863-F1306 HydrophobicContact CD2-CE1 4.24Å; L863-F1306 HydrophobicContact CD2-CG 4.15Å |
| 864 | M | 89.9 | Confident | 87.7 | Confident | 15 Ų | 15 | 28.7 Ų | 28.7 | 7% | 0.074 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.7 | -45 | 173 | -70.4 | 170.6 | 163 | 0 | 0 | 112.3 | M860 S861 C862 A866 A867 E868 F1306 K1307 | M860-M864 HydrophobicContact CB-CB 4.28Å; M860-M864 HydrophobicContact CE-CB 3.97Å; S861-M864 PolarHBondContact O-N 3.39Å; S861-M864 VanDerWaalsContact O-N 3.16Å; S861-M864 WeakPolarHBondContact OG-CG 3.43Å; S861-M864 PolarHBondContact OG-N 3.2Å; C862-M864 VanDerWaalsContact C-N 3.34Å; C862-M864 PolarHBondContact O-N 3.3Å; M864-A866 VanDerWaalsContact C-N 3.33Å; M864-A866 PolarHBondContact O-N 3Å; M864-A867 PolarHBondContact O-N 3.31Å; M864-E868 PolarHBondContact O-N 3.2Å; M864-F1306 HydrophobicContact CE-CB 4.41Å; M864-K1307 HydrophobicContact CE-CB 3.66Å; M864-K1307 HydrophobicContact CE-CD 4.29Å; M864-K1307 HydrophobicContact SD-CB 4.14Å; M864-K1307 HydrophobicContact SD-CD 4.33Å |
| 865 | L | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 176.1 | -72.2 | 169.2 | 0 | 0 | 0 | 111.9 | P795 L798 F857 M860 S861 C862 G869 | P795-L865 HydrophobicContact CB-CD1 3.65Å; L798-L865 HydrophobicContact CB-CB 4.09Å; F857-L865 HydrophobicContact CB-CD1 3.96Å; M860-L865 HydrophobicContact CB-CD2 4.05Å; M860-L865 HydrophobicContact CB-CG 3.95Å; M860-L865 HydrophobicContact CE-CD2 4.14Å; M860-L865 HydrophobicContact SD-CD2 3.81Å; S861-L865 WeakPolarHBondContact O-CG 3.41Å; S861-L865 PolarHBondContact O-N 3.28Å; C862-L865 PolarHBondContact O-N 3.02Å; L865-G869 WeakPolarHBondContact O-CA 3.41Å; L865-G869 PolarHBondContact O-N 2.99Å |
| 866 | A | 92.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L798 C862 M864 K870 S871 F874 I875 | L798-A866 HydrophobicContact CD1-CB 4.32Å; L798-A866 HydrophobicContact CD2-CB 4.11Å; C862-A866 WeakPolarHBondContact O-CB 3.21Å; C862-A866 PolarHBondContact O-N 3.32Å; M864-A866 VanDerWaalsContact C-N 3.33Å; M864-A866 PolarHBondContact O-N 3Å; A866-K870 PolarHBondContact O-N 3.16Å; A866-K870 VanDerWaalsContact O-N 3.13Å; A866-S871 PolarHBondContact O-N 3.11Å; A866-F874 HydrophobicContact CB-CB 4.42Å; A866-F874 HydrophobicContact CB-CD1 3.46Å; A866-F874 VanDerWaalsContact CB-CD1 3.46Å; A866-F874 HydrophobicContact CB-CE1 4.07Å; A866-F874 HydrophobicContact CB-CG 4.22Å; A866-I875 HydrophobicContact CB-CD1 4.26Å; A866-I875 HydrophobicContact CB-CG1 3.97Å |
| 867 | A | 88.9 | Confident | 89 | Confident | 9 Ų | 9 | 24.1 Ų | 24.1 | 7% | 0.074 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.6 | -50.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L863 M864 G869 K870 I875 L1259 Y1262 | L863-A867 PolarHBondContact O-N 3.4Å; L863-A867 VanDerWaalsContact O-N 3.14Å; M864-A867 PolarHBondContact O-N 3.31Å; A867-G869 VanDerWaalsContact C-N 3.31Å; A867-G869 PolarHBondContact O-N 2.95Å; A867-K870 PolarHBondContact O-N 2.68Å; A867-K870 VanDerWaalsContact O-N 3.12Å; A867-I875 HydrophobicContact CB-CD1 4.37Å; A867-L1259 HydrophobicContact CB-CD1 4.4Å; A867-Y1262 HydrophobicContact CB-CD1 3.74Å; A867-Y1262 HydrophobicContact CB-CE1 3.38Å |
| 868 | E | 87.1 | Confident | 89.4 | Confident | 70 Ų | 70 | 29.1 Ų | 29.1 | 33% | 0.327 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -64.9 | -34.8 | 176.4 | -69.3 | -61.7 | 158.4 | 0 | 0 | 112.2 | L802 M860 M864 K870 | L802-E868 HydrophobicContact CD2-CB 4.27Å; M860-E868 HydrophobicContact CE-CB 4.27Å; M860-E868 HydrophobicContact CE-CG 3.76Å; M864-E868 PolarHBondContact O-N 3.2Å; E868-K870 PolarHBondContact O-N 3.43Å |
| 869 | G | 86.3 | Confident | 90.1 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -10 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R805 L865 A867 S871 | R805-G869 PolarHBondContact NH1-O 3.14Å; L865-G869 WeakPolarHBondContact O-CA 3.41Å; L865-G869 PolarHBondContact O-N 2.99Å; A867-G869 VanDerWaalsContact C-N 3.31Å; A867-G869 PolarHBondContact O-N 2.95Å; G869-S871 PolarHBondContact O-N 3.49Å |
| 870 | K | 88.2 | Confident | 90.4 | Very high | 137 Ų | 137 | 21.6 Ų | 21.6 | 60% | 0.596 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50 | 37.9 | -169 | -57.3 | -178.7 | -179 | 179.1 | 0 | 112.4 | A866 A867 E868 M872 | A866-K870 PolarHBondContact O-N 3.16Å; A866-K870 VanDerWaalsContact O-N 3.13Å; A867-K870 PolarHBondContact O-N 2.68Å; A867-K870 VanDerWaalsContact O-N 3.12Å; E868-K870 PolarHBondContact O-N 3.43Å; K870-M872 WeakPolarHBondContact O-CG 3.44Å; K870-M872 PolarHBondContact O-N 3.39Å |
| 871 | S | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -78.3 | 72.2 | 177.4 | -67.6 | 0 | 0 | 0 | 0 | 110.1 | R805 E828 A866 G869 S873 F874 I875 | R805-S871 PolarHBondContact NH1-OG 3.37Å; E828-S871 VanDerWaalsContact OE1-CA 3.22Å; E828-S871 WeakPolarHBondContact OE1-CA 3.32Å; A866-S871 PolarHBondContact O-N 3.11Å; G869-S871 PolarHBondContact O-N 3.49Å; S871-S873 VanDerWaalsContact C-N 3.26Å; S871-S873 PolarHBondContact O-N 3.16Å; S871-F874 WeakPolarHBondContact O-CB 3.27Å; S871-F874 PolarHBondContact O-N 3.3Å; S871-I875 PolarHBondContact O-N 3.35Å | ||
| 872 | M | 88.6 | Confident | 90.5 | Very high | 35 Ų | 35 | 27.2 Ų | 27.2 | 17% | 0.172 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -32.3 | -170.9 | -56.7 | 172.7 | -174.9 | 0 | 0 | 112.8 | E828 K870 F874 I875 S876 K1255 Y1256 | E828-M872 PolarHBondContact OE1-N 2.86Å; K870-M872 WeakPolarHBondContact O-CG 3.44Å; K870-M872 PolarHBondContact O-N 3.39Å; M872-F874 VanDerWaalsContact C-N 3.35Å; M872-I875 PolarHBondContact O-N 3.11Å; M872-S876 WeakPolarHBondContact O-CB 3.48Å; M872-S876 PolarHBondContact O-N 2.92Å; M872-S876 PolarHBondContact O-OG 3.18Å; M872-K1255 HydrophobicContact CB-CB 3.84Å; M872-K1255 HydrophobicContact CB-CG 4.28Å; M872-K1255 HydrophobicContact CG-CB 4.49Å; M872-K1255 HydrophobicContact SD-CB 4.09Å; M872-Y1256 HydrophobicContact CE-CD1 4.03Å; M872-Y1256 HydrophobicContact CE-CE1 3.52Å; M872-Y1256 HydrophobicContact SD-CE1 4.48Å |
| 873 | S | 89.9 | Confident | 90.4 | Very high | 29 Ų | 29 | 28.3 Ų | 28.3 | 20% | 0.203 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.2 | -30.2 | -179.9 | 70.4 | 0 | 0 | 0 | 0 | 112.6 | E828 Y832 S871 S876 H877 | E828-S873 WeakPolarHBondContact CG-OG 3.18Å; E828-S873 WeakPolarHBondContact OE1-CB 3.3Å; E828-S873 PolarHBondContact OE1-N 2.85Å; E828-S873 PolarHBondContact OE1-OG 3.33Å; Y832-S873 WeakPolarHBondContact CD2-O 3.46Å; S871-S873 VanDerWaalsContact C-N 3.26Å; S871-S873 PolarHBondContact O-N 3.16Å; S873-S876 PolarHBondContact O-OG 3.22Å; S873-H877 PolarHBondContact O-N 3.37Å |
| 874 | F | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.8 | -35.9 | 173 | -172.9 | -90.1 | 0 | 0 | 0 | 112 | L794 L798 A831 L835 I850 C862 A866 S871 M872 H877 S880 | L794-F874 HydrophobicContact CD1-CE2 3.91Å; L794-F874 HydrophobicContact CD1-CZ 4.37Å; L794-F874 HydrophobicContact CD2-CZ 4.43Å; L794-F874 HydrophobicContact CG-CE2 4.47Å; L794-F874 HydrophobicContact CG-CZ 4.47Å; L798-F874 HydrophobicContact CD1-CD1 4.27Å; L798-F874 HydrophobicContact CD1-CD2 4.45Å; L798-F874 HydrophobicContact CD1-CE1 3.86Å; L798-F874 HydrophobicContact CD1-CE2 4.05Å; L798-F874 HydrophobicContact CD1-CZ 3.73Å; L798-F874 HydrophobicContact CD2-CB 4.18Å; L798-F874 HydrophobicContact CD2-CD1 4.17Å; L798-F874 HydrophobicContact CD2-CD2 3.84Å; L798-F874 HydrophobicContact CD2-CE2 4.23Å; L798-F874 HydrophobicContact CD2-CG 3.79Å; L798-F874 HydrophobicContact CG-CE2 4.47Å; A831-F874 HydrophobicContact CB-CD2 3.94Å; A831-F874 HydrophobicContact CB-CE2 4.11Å; L835-F874 HydrophobicContact CB-CE2 3.97Å; L835-F874 HydrophobicContact CD2-CD2 4.16Å; L835-F874 HydrophobicContact CD2-CE1 4.25Å; L835-F874 HydrophobicContact CD2-CE2 3.63Å; L835-F874 HydrophobicContact CD2-CZ 3.68Å; L835-F874 HydrophobicContact CG-CE2 4.34Å; I850-F874 HydrophobicContact CG2-CZ 4.4Å; C862-F874 HydrophobicContact CB-CZ 4.45Å; A866-F874 HydrophobicContact CB-CB 4.42Å; A866-F874 HydrophobicContact CB-CD1 3.46Å; A866-F874 VanDerWaalsContact CB-CD1 3.46Å; A866-F874 HydrophobicContact CB-CE1 4.07Å; A866-F874 HydrophobicContact CB-CG 4.22Å; S871-F874 WeakPolarHBondContact O-CB 3.27Å; S871-F874 PolarHBondContact O-N 3.3Å; M872-F874 VanDerWaalsContact C-N 3.35Å; F874-H877 VanDerWaalsContact O-CB 3.26Å; F874-H877 WeakPolarHBondContact O-CB 3.34Å; F874-H877 PolarHBondContact O-N 3.3Å; F874-S880 WeakPolarHBondContact O-CB 3.31Å; F874-S880 PolarHBondContact O-OG 2.8Å |
| 875 | I | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -77.6 | -32.8 | 178.5 | -59.7 | 169.9 | 0 | 0 | 0 | 111.2 | A866 A867 S871 M872 H877 S880 A1258 L1259 | A866-I875 HydrophobicContact CB-CD1 4.26Å; A866-I875 HydrophobicContact CB-CG1 3.97Å; A867-I875 HydrophobicContact CB-CD1 4.37Å; S871-I875 PolarHBondContact O-N 3.35Å; M872-I875 PolarHBondContact O-N 3.11Å; I875-H877 PolarHBondContact O-N 2.99Å; I875-S880 WeakPolarHBondContact O-CB 3.47Å; I875-A1258 HydrophobicContact CG2-CB 4.23Å; I875-A1258 WeakPolarHBondContact CG2-O 3.24Å; I875-L1259 HydrophobicContact CD1-CD1 3.55Å |
| 876 | S | 90.3 | Very high | 90.1 | Very high | 36 Ų | 36 | 35.4 Ų | 35.4 | 25% | 0.252 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 12.7 | 169.8 | 75.5 | 0 | 0 | 0 | 0 | 113.6 | M872 S873 | M872-S876 WeakPolarHBondContact O-CB 3.48Å; M872-S876 PolarHBondContact O-N 2.92Å; M872-S876 PolarHBondContact O-OG 3.18Å; S873-S876 PolarHBondContact O-OG 3.22Å |
| 877 | H | 92.5 | Very high | 89.9 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -74.8 | 141.8 | 171.4 | -175.6 | -82 | 0 | 0 | 0 | 109.7 | Y832 L835 T836 Y839 S873 F874 I875 C879 S880 E881 | Y832-H877 HydrophobicContact CD2-CB 4.22Å; Y832-H877 AromaticContact CD2-CD2 3.7Å; Y832-H877 HydrophobicContact CE2-CB 4.16Å; Y832-H877 AromaticContact CE2-CD2 3.51Å; Y832-H877 AromaticContact CZ-CD2 3.82Å; L835-H877 HydrophobicContact CD2-CB 4Å; T836-H877 WeakPolarHBondContact CA-NE2 3.34Å; T836-H877 WeakPolarHBondContact CB-NE2 3.27Å; T836-H877 VanDerWaalsContact CG2-NE2 3.25Å; T836-H877 WeakPolarHBondContact CG2-NE2 3.47Å; T836-H877 PolarHBondContact N-NE2 3.44Å; T836-H877 VanDerWaalsContact N-NE2 3.13Å; T836-H877 PolarHBondContact OG1-NE2 3.37Å; Y839-H877 WeakPolarHBondContact CB-CE1 3.33Å; Y839-H877 AromaticContact CD1-CE1 3.46Å; Y839-H877 VanDerWaalsContact CD1-CE1 3.46Å; Y839-H877 WeakPolarHBondContact CD1-CE1 3.44Å; Y839-H877 AromaticContact CG-CE1 3.28Å; S873-H877 PolarHBondContact O-N 3.37Å; F874-H877 VanDerWaalsContact O-CB 3.26Å; F874-H877 WeakPolarHBondContact O-CB 3.34Å; F874-H877 PolarHBondContact O-N 3.3Å; I875-H877 PolarHBondContact O-N 2.99Å; H877-C879 VanDerWaalsContact CE1-CB 3.43Å; H877-C879 WeakPolarHBondContact CE1-CB 3.4Å; H877-C879 WeakPolarHBondContact ND1-CB 3.44Å; H877-C879 PolarHBondContact ND1-N 3.32Å; H877-C879 PolarHBondContact O-N 2.86Å; H877-C879 VanDerWaalsContact O-N 3.11Å; H877-S880 WeakPolarHBondContact O-CA 3.45Å; H877-S880 WeakPolarHBondContact O-CB 3.45Å; H877-S880 PolarHBondContact O-N 3.23Å; H877-E881 PolarHBondContact O-N 2.83Å |
| 878 | Q | 91.9 | Very high | 89.9 | Confident | 106 Ų | 106 | 37.7 Ų | 37.7 | 50% | 0.495 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -53.2 | -35.8 | -177.6 | -176.9 | 177.1 | -14.6 | 0 | 0 | 113.4 | Y839 Q882 | Y839-Q878 HydrophobicContact CE1-CG 4.15Å; Y839-Q878 PolarHBondContact OH-NE2 3.18Å; Q878-Q882 HydrophobicContact CG-CG 4.23Å; Q878-Q882 VanDerWaalsContact NE2-NE2 3.2Å; Q878-Q882 VanDerWaalsContact O-CB 3.26Å; Q878-Q882 WeakPolarHBondContact O-CB 3.46Å; Q878-Q882 WeakPolarHBondContact O-CG 3.39Å; Q878-Q882 PolarHBondContact O-N 3.42Å |
| 879 | C | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 174 | -175.8 | 0 | 0 | 0 | 0 | 112 | L835 Y839 F847 H877 Y883 | L835-C879 HydrophobicContact CD1-CB 4.17Å; L835-C879 HydrophobicContact CD2-CB 4.11Å; L835-C879 HydrophobicContact CG-CB 4.09Å; Y839-C879 HydrophobicContact CD2-CB 3.42Å; Y839-C879 VanDerWaalsContact CD2-CB 3.42Å; Y839-C879 HydrophobicContact CE2-CB 4.05Å; Y839-C879 HydrophobicContact CG-CB 3.88Å; F847-C879 WeakPolarHBondContact CE1-O 3.34Å; H877-C879 VanDerWaalsContact CE1-CB 3.43Å; H877-C879 WeakPolarHBondContact CE1-CB 3.4Å; H877-C879 WeakPolarHBondContact ND1-CB 3.44Å; H877-C879 PolarHBondContact ND1-N 3.32Å; H877-C879 PolarHBondContact O-N 2.86Å; H877-C879 VanDerWaalsContact O-N 3.11Å; C879-Y883 WeakPolarHBondContact O-CB 3.41Å; C879-Y883 PolarHBondContact O-N 3.43Å |
| 880 | S | 91.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.3 | -43.7 | 178 | -62.2 | 0 | 0 | 0 | 0 | 111 | F874 I875 H877 Y883 L884 | F874-S880 WeakPolarHBondContact O-CB 3.31Å; F874-S880 PolarHBondContact O-OG 2.8Å; I875-S880 WeakPolarHBondContact O-CB 3.47Å; H877-S880 WeakPolarHBondContact O-CA 3.45Å; H877-S880 WeakPolarHBondContact O-CB 3.45Å; H877-S880 PolarHBondContact O-N 3.23Å; S880-Y883 PolarHBondContact O-N 2.79Å; S880-L884 WeakPolarHBondContact O-CB 3.37Å; S880-L884 VanDerWaalsContact O-CG 3.29Å; S880-L884 WeakPolarHBondContact O-CG 3.36Å; S880-L884 PolarHBondContact O-N 3.28Å |
| 881 | E | 88.8 | Confident | 89.4 | Confident | 61 Ų | 61 | 33 Ų | 33 | 29% | 0.285 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.3 | -44.8 | 179.2 | -64.9 | -163 | 152.9 | 0 | 0 | 113 | H877 Y883 L884 E885 | H877-E881 PolarHBondContact O-N 2.83Å; E881-Y883 VanDerWaalsContact C-N 3.32Å; E881-L884 PolarHBondContact O-N 2.87Å; E881-E885 WeakPolarHBondContact O-CB 3.17Å; E881-E885 PolarHBondContact O-N 3.07Å |
| 882 | Q | 89.8 | Confident | 89 | Confident | 62 Ų | 62 | 33.3 Ų | 33.3 | 29% | 0.29 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.9 | -32.2 | 174.7 | -73.3 | -170.8 | -1.9 | 0 | 0 | 112.1 | Y839 F847 Q878 E885 R886 | Y839-Q882 PolarHBondContact OH-NE2 3.5Å; Y839-Q882 VanDerWaalsContact OH-NE2 3.17Å; Y839-Q882 PolarHBondContact OH-OE1 3.1Å; F847-Q882 HydrophobicContact CE1-CB 4.3Å; F847-Q882 HydrophobicContact CZ-CB 4.09Å; Q878-Q882 HydrophobicContact CG-CG 4.23Å; Q878-Q882 VanDerWaalsContact NE2-NE2 3.2Å; Q878-Q882 VanDerWaalsContact O-CB 3.26Å; Q878-Q882 WeakPolarHBondContact O-CB 3.46Å; Q878-Q882 WeakPolarHBondContact O-CG 3.39Å; Q878-Q882 PolarHBondContact O-N 3.42Å; Q882-E885 PolarHBondContact O-N 2.9Å; Q882-R886 VanDerWaalsContact O-CB 3.3Å; Q882-R886 WeakPolarHBondContact O-CB 3.33Å; Q882-R886 PolarHBondContact O-N 2.94Å |
| 883 | Y | 91 | Very high | 88.6 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 9% | 0.09 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.5 | -45.1 | 172 | -172.4 | -107.4 | 0 | 0 | 0 | 111.2 | F847 I850 I851 L863 C879 S880 E881 E885 R886 V887 P1305 F1306 | F847-Y883 HydrophobicContact CB-CD2 3.59Å; F847-Y883 HydrophobicContact CB-CE2 3.95Å; F847-Y883 AromaticContact CD1-CD2 3.76Å; F847-Y883 HydrophobicContact CD1-CD2 3.76Å; F847-Y883 HydrophobicContact CD1-CG 4.15Å; F847-Y883 HydrophobicContact CD2-CD2 4.4Å; F847-Y883 AromaticContact CG-CD2 3.67Å; F847-Y883 HydrophobicContact CG-CD2 3.67Å; F847-Y883 HydrophobicContact CG-CE2 4.45Å; F847-Y883 HydrophobicContact CG-CG 4.49Å; I850-Y883 HydrophobicContact CD1-CD1 4.08Å; I850-Y883 HydrophobicContact CD1-CG 3.97Å; I851-Y883 WeakPolarHBondContact CD1-OH 3.5Å; I851-Y883 HydrophobicContact CG2-CD1 4.19Å; I851-Y883 HydrophobicContact CG2-CE1 3.39Å; I851-Y883 HydrophobicContact CG2-CE2 4.48Å; L863-Y883 HydrophobicContact CD2-CD1 4.39Å; C879-Y883 WeakPolarHBondContact O-CB 3.41Å; C879-Y883 PolarHBondContact O-N 3.43Å; S880-Y883 PolarHBondContact O-N 2.79Å; E881-Y883 VanDerWaalsContact C-N 3.32Å; Y883-E885 VanDerWaalsContact C-N 3.3Å; Y883-E885 PolarHBondContact O-N 2.96Å; Y883-R886 PolarHBondContact O-N 3.36Å; Y883-V887 HydrophobicContact CD1-CG2 4Å; Y883-V887 HydrophobicContact CE1-CG2 3.48Å; Y883-V887 VanDerWaalsContact CE1-CG2 3.48Å; Y883-V887 HydrophobicContact CE2-CG2 4.11Å; Y883-V887 HydrophobicContact CG-CG2 4.5Å; Y883-V887 WeakPolarHBondContact O-CG2 3.28Å; Y883-V887 PolarHBondContact O-N 2.9Å; Y883-P1305 WeakPolarHBondContact CE1-O 3.31Å; Y883-P1305 PolarHBondContact OH-O 3.23Å; Y883-F1306 HydrophobicContact CE1-CD1 4.35Å |
| 884 | L | 89.7 | Confident | 88 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.7 | -37.4 | 174.4 | -74.3 | 170.5 | 0 | 0 | 0 | 112.2 | S880 E881 W888 Y1262 V1265 F1306 | S880-L884 WeakPolarHBondContact O-CB 3.37Å; S880-L884 VanDerWaalsContact O-CG 3.29Å; S880-L884 WeakPolarHBondContact O-CG 3.36Å; S880-L884 PolarHBondContact O-N 3.28Å; E881-L884 PolarHBondContact O-N 2.87Å; L884-W888 WeakPolarHBondContact O-CB 3.31Å; L884-W888 PolarHBondContact O-N 2.9Å; L884-Y1262 HydrophobicContact CD2-CD2 4.19Å; L884-V1265 HydrophobicContact CD2-CB 4.09Å; L884-V1265 HydrophobicContact CD2-CG1 4.18Å; L884-V1265 HydrophobicContact CD2-CG2 4.27Å; L884-F1306 HydrophobicContact CD2-CE1 3.83Å; L884-F1306 HydrophobicContact CD2-CZ 3.87Å |
| 885 | E | 88.1 | Confident | 87.2 | Confident | 68 Ų | 68 | 44.6 Ų | 44.6 | 32% | 0.318 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.5 | -43 | 172.2 | -170.4 | 177.4 | 174.4 | 0 | 0 | 112.4 | E881 Q882 Y883 W888 N889 P894 | E881-E885 WeakPolarHBondContact O-CB 3.17Å; E881-E885 PolarHBondContact O-N 3.07Å; Q882-E885 PolarHBondContact O-N 2.9Å; Y883-E885 VanDerWaalsContact C-N 3.3Å; Y883-E885 PolarHBondContact O-N 2.96Å; E885-W888 WeakPolarHBondContact O-CB 3.36Å; E885-W888 PolarHBondContact O-N 3.48Å; E885-N889 WeakPolarHBondContact O-CB 3.28Å; E885-N889 PolarHBondContact O-N 3.41Å; E885-P894 WeakPolarHBondContact OE1-CB 3.34Å |
| 886 | R | 87.3 | Confident | 86.5 | Confident | 96 Ų | 96 | 46 Ų | 46 | 36% | 0.362 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 175.8 | -172 | 174.7 | -168.9 | 146.5 | 10.4 | 111.9 | Q882 Y883 G890 | Q882-R886 VanDerWaalsContact O-CB 3.3Å; Q882-R886 WeakPolarHBondContact O-CB 3.33Å; Q882-R886 PolarHBondContact O-N 2.94Å; Y883-R886 PolarHBondContact O-N 3.36Å; R886-G890 WeakPolarHBondContact O-CA 3.22Å; R886-G890 PolarHBondContact O-N 3.45Å |
| 887 | V | 88.1 | Confident | 85.9 | Confident | 18 Ų | 18 | 46.2 Ų | 46.2 | 11% | 0.109 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.6 | -41.4 | 173 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | Y883 P978 V1265 V1269 P1305 F1306 | Y883-V887 HydrophobicContact CD1-CG2 4Å; Y883-V887 HydrophobicContact CE1-CG2 3.48Å; Y883-V887 VanDerWaalsContact CE1-CG2 3.48Å; Y883-V887 HydrophobicContact CE2-CG2 4.11Å; Y883-V887 HydrophobicContact CG-CG2 4.5Å; Y883-V887 WeakPolarHBondContact O-CG2 3.28Å; Y883-V887 PolarHBondContact O-N 2.9Å; V887-P978 WeakPolarHBondContact O-CD 3.45Å; V887-P978 VanDerWaalsContact O-CG 3.23Å; V887-P978 WeakPolarHBondContact O-CG 3.26Å; V887-V1265 HydrophobicContact CB-CG1 4.09Å; V887-V1265 HydrophobicContact CG1-CG1 3.48Å; V887-V1265 VanDerWaalsContact CG1-CG1 3.48Å; V887-V1269 HydrophobicContact CG1-CG2 3.62Å; V887-P1305 HydrophobicContact CG1-CB 3.8Å; V887-P1305 HydrophobicContact CG1-CG 4.49Å; V887-P1305 HydrophobicContact CG2-CB 4.2Å; V887-F1306 HydrophobicContact CG1-CE1 4.26Å |
| 888 | W | 89.1 | Confident | 85.4 | Confident | 39 Ų | 39 | 52.5 Ų | 52.5 | 15% | 0.148 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 178.3 | -176.9 | -108.4 | 0 | 0 | 0 | 113.1 | L884 E885 P978 C979 F982 V1117 I1264 V1265 Y1268 | L884-W888 WeakPolarHBondContact O-CB 3.31Å; L884-W888 PolarHBondContact O-N 2.9Å; E885-W888 WeakPolarHBondContact O-CB 3.36Å; E885-W888 PolarHBondContact O-N 3.48Å; W888-P978 HydrophobicContact CE3-CB 3.93Å; W888-P978 HydrophobicContact CZ3-CB 4.39Å; W888-P978 WeakPolarHBondContact O-CD 3.38Å; W888-C979 HydrophobicContact CD2-CB 4.15Å; W888-C979 HydrophobicContact CG-CB 4.17Å; W888-C979 HydrophobicContact CZ2-CB 4.35Å; W888-C979 WeakPolarHBondContact O-CB 3.04Å; W888-C979 PolarHBondContact O-N 3.24Å; W888-C979 PolarHBondContact O-SG 3.49Å; W888-F982 HydrophobicContact CH2-CB 3.49Å; W888-F982 VanDerWaalsContact CH2-CB 3.49Å; W888-F982 AromaticContact CH2-CD1 3.91Å; W888-F982 HydrophobicContact CH2-CD1 3.91Å; W888-F982 HydrophobicContact CH2-CD2 4.18Å; W888-F982 AromaticContact CH2-CG 3.59Å; W888-F982 HydrophobicContact CH2-CG 3.59Å; W888-F982 HydrophobicContact CZ2-CB 4.02Å; W888-F982 AromaticContact CZ2-CD1 3.84Å; W888-F982 HydrophobicContact CZ2-CD1 3.84Å; W888-F982 HydrophobicContact CZ2-CG 4.01Å; W888-F982 HydrophobicContact CZ3-CB 4.25Å; W888-V1117 HydrophobicContact CH2-CG1 3.97Å; W888-V1117 HydrophobicContact CZ2-CG1 3.89Å; W888-I1264 HydrophobicContact CZ3-CG2 4.4Å; W888-V1265 HydrophobicContact CE3-CG2 3.93Å; W888-Y1268 HydrophobicContact CZ3-CD2 4.33Å; W888-Y1268 HydrophobicContact CZ3-CG 4.48Å |
| 889 | N | 86.2 | Confident | 85.2 | Confident | 26 Ų | 26 | 54.9 Ų | 54.9 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -81.4 | -15.6 | -179.4 | -65.3 | -22 | 0 | 0 | 0 | 113.3 | E885 M891 I892 P894 S977 | E885-N889 WeakPolarHBondContact O-CB 3.28Å; E885-N889 PolarHBondContact O-N 3.41Å; N889-M891 PolarHBondContact O-N 2.85Å; N889-I892 WeakPolarHBondContact O-CB 3.4Å; N889-I892 PolarHBondContact O-N 2.87Å; N889-P894 WeakPolarHBondContact ND2-CB 3.37Å; N889-S977 WeakPolarHBondContact O-CB 3.18Å; N889-S977 PolarHBondContact O-OG 3.38Å; N889-S977 VanDerWaalsContact O-OG 3.05Å |
| 890 | G | 83.4 | Confident | 84.8 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 38% | 0.381 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -99.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R886 S977 | R886-G890 WeakPolarHBondContact O-CA 3.22Å; R886-G890 PolarHBondContact O-N 3.45Å; G890-S977 WeakPolarHBondContact CA-OG 3.43Å |
| 891 | M | 81.9 | Confident | 84.5 | Confident | 50 Ų | 50 | 58.6 Ų | 58.6 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -4.5 | 175.2 | -63 | -136.4 | -57.1 | 0 | 0 | 114 | N889 F921 Q922 R969 G973 S977 | N889-M891 PolarHBondContact O-N 2.85Å; M891-F921 HydrophobicContact CB-CD1 4.33Å; M891-F921 WeakPolarHBondContact O-CA 3.04Å; M891-Q922 PolarHBondContact O-N 3.1Å; M891-R969 HydrophobicContact CE-CG 3.98Å; M891-R969 WeakPolarHBondContact CE-O 3.41Å; M891-G973 VanDerWaalsContact CE-CA 3.49Å; M891-S977 PolarHBondContact N-OG 3.42Å |
| 892 | I | 84.3 | Confident | 84.4 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 136.7 | 177.2 | -55.8 | 170 | 0 | 0 | 0 | 108.2 | N889 P894 F901 L919 F921 F974 V980 | N889-I892 WeakPolarHBondContact O-CB 3.4Å; N889-I892 PolarHBondContact O-N 2.87Å; I892-P894 WeakPolarHBondContact O-CD 3.45Å; I892-F901 HydrophobicContact CD1-CD2 4.49Å; I892-F901 HydrophobicContact CD1-CE2 4.12Å; I892-L919 HydrophobicContact CD1-CD1 4.25Å; I892-L919 HydrophobicContact CG1-CD1 4.33Å; I892-L919 HydrophobicContact CG2-CD1 4.06Å; I892-L919 HydrophobicContact CG2-CD2 4.4Å; I892-F921 HydrophobicContact CG1-CE1 4.2Å; I892-F974 HydrophobicContact CD1-CD2 3.8Å; I892-F974 HydrophobicContact CD1-CE2 4.22Å; I892-F974 HydrophobicContact CG1-CD2 4.39Å; I892-V980 HydrophobicContact CD1-CG2 3.7Å |
| 893 | D | 80 | Confident | 84.3 | Confident | 22 Ų | 22 | 58.8 Ų | 58.8 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | trans | -69.4 | 120.8 | 176 | -176.3 | -0.4 | 0 | 0 | 0 | 109.9 | R895 S896 K920 Q922 | D893-R895 PolarHBondContact O-N 3.15Å; D893-R895 WeakPolarHBondContact OD1-CG 3.46Å; D893-R895 PolarHBondContact OD1-N 3Å; D893-R895 VanDerWaalsContact OD1-N 3.17Å; D893-S896 PolarHBondContact O-N 3.34Å; D893-S896 PolarHBondContact O-OG 3.39Å; D893-S896 VanDerWaalsContact O-OG 3.07Å; D893-K920 HydrophobicContact CB-CB 3.88Å; D893-K920 WeakPolarHBondContact CB-O 3.21Å; D893-K920 PolarHBondContact N-O 2.93Å; D893-Q922 HydrophobicContact CB-CG 4.38Å | ||
| 894 | P | 76.1 | Confident | 84.1 | Confident | 57 Ų | 57 | 57.7 Ų | 57.7 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -20.2 | 177.6 | 20.8 | -33.7 | 0 | 0 | 0 | 113.9 | E885 N889 I892 S896 | E885-P894 WeakPolarHBondContact OE1-CB 3.34Å; N889-P894 WeakPolarHBondContact ND2-CB 3.37Å; I892-P894 WeakPolarHBondContact O-CD 3.45Å; P894-S896 PolarHBondContact O-N 3.05Å |
| 895 | R | 77 | Confident | 84 | Confident | 222 Ų | 222 | 58.5 Ų | 58.5 | 84% | 0.838 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -6.2 | 176.5 | -60.8 | 175.5 | 177.4 | 177.2 | -0.1 | 114 | D893 G897 | D893-R895 PolarHBondContact O-N 3.15Å; D893-R895 WeakPolarHBondContact OD1-CG 3.46Å; D893-R895 PolarHBondContact OD1-N 3Å; D893-R895 VanDerWaalsContact OD1-N 3.17Å; R895-G897 PolarHBondContact O-N 3.45Å |
| 896 | S | 77.5 | Confident | 84.1 | Confident | 28 Ų | 28 | 59.8 Ų | 59.8 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -71.7 | 115.2 | 169.8 | 64.8 | 0 | 0 | 0 | 0 | 110.1 | D893 P894 | D893-S896 PolarHBondContact O-N 3.34Å; D893-S896 PolarHBondContact O-OG 3.39Å; D893-S896 VanDerWaalsContact O-OG 3.07Å; P894-S896 PolarHBondContact O-N 3.05Å |
| 897 | G | 78.2 | Confident | 84.1 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | trans | -60.4 | 164.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R895 F899 P900 F901 | R895-G897 PolarHBondContact O-N 3.45Å; G897-F899 PolarHBondContact O-N 2.84Å; G897-P900 VanDerWaalsContact O-CD 3.23Å; G897-P900 WeakPolarHBondContact O-CD 3.19Å; G897-F901 PolarHBondContact O-N 3.39Å | ||
| 898 | M | 81.8 | Confident | 83.9 | Confident | 139 Ų | 139 | 56.1 Ų | 56.1 | 69% | 0.685 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -54.7 | -36.9 | -178.9 | -71.9 | -62 | -64 | 0 | 0 | 113.3 | F901 I902 | M898-F901 PolarHBondContact O-N 2.96Å; M898-I902 WeakPolarHBondContact O-CD1 3.44Å; M898-I902 VanDerWaalsContact O-CG1 3.26Å; M898-I902 WeakPolarHBondContact O-CG1 3.41Å; M898-I902 PolarHBondContact O-N 3.26Å |
| 899 | F | 86 | Confident | 83.7 | Confident | 157 Ų | 157 | 59.2 Ų | 59.2 | 69% | 0.689 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.8 | -53.6 | -179.1 | -179.2 | -94.8 | 0 | 0 | 0 | 113 | G897 F901 I902 V903 | G897-F899 PolarHBondContact O-N 2.84Å; F899-F901 PolarHBondContact O-N 3.24Å; F899-I902 PolarHBondContact O-N 3.24Å; F899-I902 VanDerWaalsContact O-N 3.17Å; F899-V903 HydrophobicContact CD1-CG2 4.27Å; F899-V903 HydrophobicContact CE1-CG2 3.89Å; F899-V903 HydrophobicContact CE2-CG2 4.28Å; F899-V903 HydrophobicContact CZ-CG2 3.89Å; F899-V903 WeakPolarHBondContact O-CG2 3.42Å; F899-V903 PolarHBondContact O-N 3Å |
| 900 | P | 84.8 | Confident | 83.7 | Confident | 52 Ų | 52 | 62.3 Ų | 62.3 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -50.8 | -38.9 | 168.6 | -30 | 33.2 | 0 | 0 | 0 | 114.4 | G897 A904 L919 | G897-P900 VanDerWaalsContact O-CD 3.23Å; G897-P900 WeakPolarHBondContact O-CD 3.19Å; P900-A904 VanDerWaalsContact O-CB 3.24Å; P900-A904 WeakPolarHBondContact O-CB 3.48Å; P900-A904 PolarHBondContact O-N 3.01Å; P900-L919 HydrophobicContact CB-CD2 4.27Å |
| 901 | F | 86.1 | Confident | 83.8 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 11% | 0.114 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.7 | -44.8 | 177.4 | 179.8 | -108 | 0 | 0 | 0 | 112.6 | I892 G897 M898 F899 A904 L905 C979 V980 | I892-F901 HydrophobicContact CD1-CD2 4.49Å; I892-F901 HydrophobicContact CD1-CE2 4.12Å; G897-F901 PolarHBondContact O-N 3.39Å; M898-F901 PolarHBondContact O-N 2.96Å; F899-F901 PolarHBondContact O-N 3.24Å; F901-A904 CarbonylContact O-C 3.57Å; F901-A904 PolarHBondContact O-N 3.15Å; F901-L905 HydrophobicContact CD1-CD1 4.01Å; F901-L905 HydrophobicContact CD1-CG 4.47Å; F901-L905 HydrophobicContact CE1-CD1 3.54Å; F901-L905 HydrophobicContact CE1-CG 4.11Å; F901-L905 HydrophobicContact CE2-CD2 4.47Å; F901-L905 HydrophobicContact CE2-CG 4.43Å; F901-L905 HydrophobicContact CZ-CD1 3.93Å; F901-L905 HydrophobicContact CZ-CD2 4.1Å; F901-L905 HydrophobicContact CZ-CG 4.08Å; F901-L905 WeakPolarHBondContact O-CG 3.45Å; F901-L905 PolarHBondContact O-N 3.44Å; F901-C979 HydrophobicContact CZ-CB 4.22Å; F901-V980 HydrophobicContact CE2-CG2 3.98Å; F901-V980 HydrophobicContact CZ-CG2 4.36Å |
| 902 | I | 86.6 | Confident | 83.7 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 175.1 | -69.2 | 161.9 | 0 | 0 | 0 | 110.8 | M898 F899 A904 L905 I906 | M898-I902 WeakPolarHBondContact O-CD1 3.44Å; M898-I902 VanDerWaalsContact O-CG1 3.26Å; M898-I902 WeakPolarHBondContact O-CG1 3.41Å; M898-I902 PolarHBondContact O-N 3.26Å; F899-I902 PolarHBondContact O-N 3.24Å; F899-I902 VanDerWaalsContact O-N 3.17Å; I902-A904 VanDerWaalsContact C-N 3.27Å; I902-A904 PolarHBondContact O-N 3.11Å; I902-L905 WeakPolarHBondContact O-CB 3.45Å; I902-L905 PolarHBondContact O-N 2.91Å; I902-I906 HydrophobicContact CG2-CD1 4.08Å; I902-I906 WeakPolarHBondContact O-CG1 3.31Å; I902-I906 PolarHBondContact O-N 3.21Å |
| 903 | V | 87.2 | Confident | 83.6 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 30% | 0.297 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 175.4 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | F899 I906 I907 | F899-V903 HydrophobicContact CD1-CG2 4.27Å; F899-V903 HydrophobicContact CE1-CG2 3.89Å; F899-V903 HydrophobicContact CE2-CG2 4.28Å; F899-V903 HydrophobicContact CZ-CG2 3.89Å; F899-V903 WeakPolarHBondContact O-CG2 3.42Å; F899-V903 PolarHBondContact O-N 3Å; V903-I906 PolarHBondContact O-N 3.28Å; V903-I907 HydrophobicContact CG1-CD1 3.67Å; V903-I907 HydrophobicContact CG1-CG1 4.38Å; V903-I907 WeakPolarHBondContact O-CB 3.48Å; V903-I907 VanDerWaalsContact O-CG1 3.23Å; V903-I907 WeakPolarHBondContact O-CG1 3.33Å; V903-I907 PolarHBondContact O-N 3.09Å |
| 904 | A | 87.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.2 | -29.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | P900 F901 I902 G908 L919 F974 | P900-A904 VanDerWaalsContact O-CB 3.24Å; P900-A904 WeakPolarHBondContact O-CB 3.48Å; P900-A904 PolarHBondContact O-N 3.01Å; F901-A904 CarbonylContact O-C 3.57Å; F901-A904 PolarHBondContact O-N 3.15Å; I902-A904 VanDerWaalsContact C-N 3.27Å; I902-A904 PolarHBondContact O-N 3.11Å; A904-G908 WeakPolarHBondContact O-CA 3.47Å; A904-G908 PolarHBondContact O-N 2.67Å; A904-L919 HydrophobicContact CB-CD1 3.38Å; A904-L919 HydrophobicContact CB-CD2 4.03Å; A904-L919 HydrophobicContact CB-CG 3.46Å; A904-L919 VanDerWaalsContact CB-CG 3.46Å; A904-F974 HydrophobicContact CB-CE2 4.27Å; A904-F974 WeakPolarHBondContact O-CZ 3.49Å |
| 905 | L | 87.9 | Confident | 84.2 | Confident | 16 Ų | 16 | 67.9 Ų | 67.9 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 170.1 | -74.9 | 173.5 | 0 | 0 | 0 | 111.3 | F901 I902 G908 I909 F974 V980 Y984 | F901-L905 HydrophobicContact CD1-CD1 4.01Å; F901-L905 HydrophobicContact CD1-CG 4.47Å; F901-L905 HydrophobicContact CE1-CD1 3.54Å; F901-L905 HydrophobicContact CE1-CG 4.11Å; F901-L905 HydrophobicContact CE2-CD2 4.47Å; F901-L905 HydrophobicContact CE2-CG 4.43Å; F901-L905 HydrophobicContact CZ-CD1 3.93Å; F901-L905 HydrophobicContact CZ-CD2 4.1Å; F901-L905 HydrophobicContact CZ-CG 4.08Å; F901-L905 WeakPolarHBondContact O-CG 3.45Å; F901-L905 PolarHBondContact O-N 3.44Å; I902-L905 WeakPolarHBondContact O-CB 3.45Å; I902-L905 PolarHBondContact O-N 2.91Å; L905-G908 PolarHBondContact O-N 3.08Å; L905-I909 WeakPolarHBondContact O-CG1 3.32Å; L905-I909 PolarHBondContact O-N 3.33Å; L905-F974 HydrophobicContact CD2-CZ 4.19Å; L905-V980 HydrophobicContact CD2-CG1 4.26Å; L905-V980 HydrophobicContact CD2-CG2 4.38Å; L905-Y984 HydrophobicContact CD2-CE1 3.97Å; L905-Y984 PolarHBondContact O-OH 3Å |
| 906 | I | 88.3 | Confident | 84.3 | Confident | 96 Ų | 96 | 57.7 Ų | 57.7 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.6 | -50.2 | 176.3 | -64.8 | 165.4 | 0 | 0 | 0 | 109.9 | I902 V903 G908 I909 T910 | I902-I906 HydrophobicContact CG2-CD1 4.08Å; I902-I906 WeakPolarHBondContact O-CG1 3.31Å; I902-I906 PolarHBondContact O-N 3.21Å; V903-I906 PolarHBondContact O-N 3.28Å; I906-G908 VanDerWaalsContact C-N 3.27Å; I906-G908 PolarHBondContact O-N 3.43Å; I906-I909 PolarHBondContact O-N 2.99Å; I906-T910 HydrophobicContact CG2-CG2 4.45Å; I906-T910 PolarHBondContact O-N 2.92Å; I906-T910 PolarHBondContact O-OG1 3.24Å; I906-T910 VanDerWaalsContact O-OG1 3.06Å |
| 907 | I | 87.5 | Confident | 84.4 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 17% | 0.169 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.6 | -38.1 | 175.1 | -68.5 | 170.5 | 0 | 0 | 0 | 110.9 | V903 I909 T910 L911 L914 V915 | V903-I907 HydrophobicContact CG1-CD1 3.67Å; V903-I907 HydrophobicContact CG1-CG1 4.38Å; V903-I907 WeakPolarHBondContact O-CB 3.48Å; V903-I907 VanDerWaalsContact O-CG1 3.23Å; V903-I907 WeakPolarHBondContact O-CG1 3.33Å; V903-I907 PolarHBondContact O-N 3.09Å; I907-I909 PolarHBondContact O-N 3.37Å; I907-T910 PolarHBondContact O-N 3.04Å; I907-L911 HydrophobicContact CG2-CB 4.48Å; I907-L911 VanDerWaalsContact CG2-O 3.23Å; I907-L911 WeakPolarHBondContact CG2-O 3.5Å; I907-L911 CarbonylContact O-C 3.5Å; I907-L911 WeakPolarHBondContact O-CA 3.09Å; I907-L911 PolarHBondContact O-N 3.02Å; I907-L914 HydrophobicContact CG2-CB 3.6Å; I907-V915 HydrophobicContact CB-CG2 4.43Å; I907-V915 HydrophobicContact CG2-CG2 3.81Å |
| 908 | G | 85.2 | Confident | 84.4 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.9 | -13 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | A904 L905 I906 V915 Y975 Y984 | A904-G908 WeakPolarHBondContact O-CA 3.47Å; A904-G908 PolarHBondContact O-N 2.67Å; L905-G908 PolarHBondContact O-N 3.08Å; I906-G908 VanDerWaalsContact C-N 3.27Å; I906-G908 PolarHBondContact O-N 3.43Å; G908-V915 VanDerWaalsContact CA-CG2 3.5Å; G908-Y975 PolarHBondContact O-OH 2.93Å; G908-Y984 VanDerWaalsContact C-OH 3.31Å; G908-Y984 WeakPolarHBondContact CA-OH 3.03Å |
| 909 | I | 84.1 | Confident | 84.3 | Confident | 103 Ų | 103 | 56.4 Ų | 56.4 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -94.3 | -48.6 | 168.4 | -63.8 | 167.7 | 0 | 0 | 0 | 110.2 | L905 I906 I907 Y984 | L905-I909 WeakPolarHBondContact O-CG1 3.32Å; L905-I909 PolarHBondContact O-N 3.33Å; I906-I909 PolarHBondContact O-N 2.99Å; I907-I909 PolarHBondContact O-N 3.37Å; I909-Y984 HydrophobicContact CD1-CD1 4.3Å; I909-Y984 HydrophobicContact CD1-CE1 3.74Å; I909-Y984 HydrophobicContact CG1-CD1 4.38Å; I909-Y984 HydrophobicContact CG1-CE1 3.56Å |
| 910 | T | 85.6 | Confident | 83.9 | Confident | 91 Ų | 91 | 56.4 Ų | 56.4 | 56% | 0.558 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -85 | -44.9 | -169.6 | 57 | 0 | 0 | 0 | 0 | 113.9 | I906 I907 | I906-T910 HydrophobicContact CG2-CG2 4.45Å; I906-T910 PolarHBondContact O-N 2.92Å; I906-T910 PolarHBondContact O-OG1 3.24Å; I906-T910 VanDerWaalsContact O-OG1 3.06Å; I907-T910 PolarHBondContact O-N 3.04Å |
| 911 | L | 85.8 | Confident | 83.7 | Confident | 97 Ų | 97 | 55 Ų | 55 | 51% | 0.508 | 30% | 0.295 | S | S | . | . | trans | -140.9 | 69.8 | -174.4 | -79.9 | 154.8 | 0 | 0 | 0 | 110.5 | I907 P913 L914 | I907-L911 HydrophobicContact CG2-CB 4.48Å; I907-L911 VanDerWaalsContact CG2-O 3.23Å; I907-L911 WeakPolarHBondContact CG2-O 3.5Å; I907-L911 CarbonylContact O-C 3.5Å; I907-L911 WeakPolarHBondContact O-CA 3.09Å; I907-L911 PolarHBondContact O-N 3.02Å; L911-P913 WeakPolarHBondContact O-CD 3.33Å; L911-L914 HydrophobicContact CB-CD1 3.97Å; L911-L914 HydrophobicContact CB-CG 4.38Å; L911-L914 HydrophobicContact CD1-CD1 4.03Å; L911-L914 HydrophobicContact CG-CD1 4.44Å; L911-L914 PolarHBondContact O-N 3.35Å | ||
| 912 | P | 80.9 | Confident | 82.8 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 28% | 0.279 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -45.1 | -35.4 | 178.2 | -28.5 | 34.2 | 0 | 0 | 0 | 116 | L914 V915 L971 Y975 | P912-L914 PolarHBondContact O-N 2.91Å; P912-V915 WeakPolarHBondContact O-CG2 3.04Å; P912-V915 PolarHBondContact O-N 3.44Å; P912-L971 HydrophobicContact CB-CD1 4.34Å; P912-L971 VanDerWaalsContact O-CD1 3.29Å; P912-L971 WeakPolarHBondContact O-CD1 3.29Å; P912-Y975 WeakPolarHBondContact CB-OH 3.49Å |
| 913 | P | 82.6 | Confident | 81.5 | Confident | 68 Ų | 68 | 56.9 Ų | 56.9 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -59.1 | -23.8 | 176.7 | -28.3 | 38.2 | 0 | 0 | 0 | 115.9 | L911 P916 Y967 | L911-P913 WeakPolarHBondContact O-CD 3.33Å; P913-P916 WeakPolarHBondContact O-CD 3.43Å; P913-Y967 WeakPolarHBondContact CA-OH 3.4Å; P913-Y967 VanDerWaalsContact CB-OH 3.27Å; P913-Y967 WeakPolarHBondContact CB-OH 3.23Å; P913-Y967 PolarHBondContact O-OH 3.19Å |
| 914 | L | 84.7 | Confident | 80.1 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -88.8 | -12 | -176.8 | -64.5 | 173.8 | 0 | 0 | 0 | 113.2 | I907 L911 P912 L917 S918 | I907-L914 HydrophobicContact CG2-CB 3.6Å; L911-L914 HydrophobicContact CB-CD1 3.97Å; L911-L914 HydrophobicContact CB-CG 4.38Å; L911-L914 HydrophobicContact CD1-CD1 4.03Å; L911-L914 HydrophobicContact CG-CD1 4.44Å; L911-L914 PolarHBondContact O-N 3.35Å; P912-L914 PolarHBondContact O-N 2.91Å; L914-L917 HydrophobicContact CD2-CD1 4.43Å; L914-L917 PolarHBondContact O-N 3.33Å; L914-S918 PolarHBondContact O-N 3.01Å |
| 915 | V | 83 | Confident | 78.2 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.6 | -41.2 | 179.6 | 179.9 | 0 | 0 | 0 | 0 | 113.3 | I907 G908 P912 L917 S918 L919 F921 L971 F974 | I907-V915 HydrophobicContact CB-CG2 4.43Å; I907-V915 HydrophobicContact CG2-CG2 3.81Å; G908-V915 VanDerWaalsContact CA-CG2 3.5Å; P912-V915 WeakPolarHBondContact O-CG2 3.04Å; P912-V915 PolarHBondContact O-N 3.44Å; V915-L917 PolarHBondContact O-N 3.49Å; V915-L917 VanDerWaalsContact O-N 3.12Å; V915-S918 PolarHBondContact O-N 2.74Å; V915-S918 PolarHBondContact O-OG 2.84Å; V915-L919 PolarHBondContact O-N 3.33Å; V915-F921 HydrophobicContact CG1-CZ 4.14Å; V915-L971 HydrophobicContact CB-CD1 4.36Å; V915-F974 HydrophobicContact CG1-CB 4.09Å; V915-F974 HydrophobicContact CG1-CD1 3.94Å; V915-F974 HydrophobicContact CG1-CD2 3.58Å; V915-F974 HydrophobicContact CG1-CE1 4.22Å; V915-F974 HydrophobicContact CG1-CE2 3.9Å; V915-F974 HydrophobicContact CG1-CG 3.6Å; V915-F974 HydrophobicContact CG1-CZ 4.2Å; V915-F974 HydrophobicContact CG2-CE1 4.5Å |
| 916 | P | 79 | Confident | 76 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.8 | -9.5 | 177.4 | -25.5 | 39.2 | 0 | 0 | 0 | 115.8 | P913 Y967 K970 L971 | P913-P916 WeakPolarHBondContact O-CD 3.43Å; P916-Y967 HydrophobicContact CB-CD2 3.86Å; P916-Y967 HydrophobicContact CB-CE2 3.97Å; P916-Y967 HydrophobicContact CG-CD2 3.84Å; P916-Y967 HydrophobicContact CG-CE2 3.66Å; P916-K970 HydrophobicContact CB-CB 4.13Å; P916-K970 HydrophobicContact CB-CD 3.92Å; P916-K970 HydrophobicContact CG-CB 4.27Å; P916-L971 HydrophobicContact CG-CB 4.5Å |
| 917 | L | 78.9 | Confident | 73.6 | Confident | 132 Ų | 132 | 74.9 Ų | 74.9 | 69% | 0.691 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -101.1 | -33.7 | 176 | -65.7 | 97.5 | 0 | 0 | 0 | 113 | L914 V915 | L914-L917 HydrophobicContact CD2-CD1 4.43Å; L914-L917 PolarHBondContact O-N 3.33Å; V915-L917 PolarHBondContact O-N 3.49Å; V915-L917 VanDerWaalsContact O-N 3.12Å |
| 918 | S | 78.1 | Confident | 71.1 | Confident | 40 Ų | 40 | 76.6 Ų | 76.6 | 28% | 0.28 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -77.1 | -25.6 | -177.5 | 59.4 | 0 | 0 | 0 | 0 | 113.9 | L914 V915 | L914-S918 PolarHBondContact O-N 3.01Å; V915-S918 PolarHBondContact O-N 2.74Å; V915-S918 PolarHBondContact O-OG 2.84Å |
| 919 | L | 79.9 | Confident | 68.9 | Low | 9 Ų | 9 | 79.3 Ų | 79.3 | 5% | 0.047 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -114.6 | 148.6 | 178.6 | -71.7 | 173.5 | 0 | 0 | 0 | 113.1 | I892 P900 A904 V915 F921 F974 | I892-L919 HydrophobicContact CD1-CD1 4.25Å; I892-L919 HydrophobicContact CG1-CD1 4.33Å; I892-L919 HydrophobicContact CG2-CD1 4.06Å; I892-L919 HydrophobicContact CG2-CD2 4.4Å; P900-L919 HydrophobicContact CB-CD2 4.27Å; A904-L919 HydrophobicContact CB-CD1 3.38Å; A904-L919 HydrophobicContact CB-CD2 4.03Å; A904-L919 HydrophobicContact CB-CG 3.46Å; A904-L919 VanDerWaalsContact CB-CG 3.46Å; V915-L919 PolarHBondContact O-N 3.33Å; L919-F921 HydrophobicContact CB-CD2 4.24Å; L919-F921 HydrophobicContact CB-CE2 3.64Å; L919-F921 HydrophobicContact CB-CZ 4.07Å; L919-F921 HydrophobicContact CD1-CZ 4.41Å; L919-F921 VanDerWaalsContact O-CD2 3.26Å; L919-F921 WeakPolarHBondContact O-CD2 3.34Å; L919-F974 HydrophobicContact CD1-CD2 3.93Å; L919-F974 HydrophobicContact CD1-CE2 3.82Å |
| 920 | K | 79.2 | Confident | 66.7 | Low | 158 Ų | 158 | 82.2 Ų | 82.2 | 69% | 0.687 | 43% | 0.433 | S | S | * | . | trans | -79.1 | 132.5 | 163.4 | -67.1 | -178.8 | -179.1 | 177.8 | 0 | 108.8 | D893 | D893-K920 HydrophobicContact CB-CB 3.88Å; D893-K920 WeakPolarHBondContact CB-O 3.21Å; D893-K920 PolarHBondContact N-O 2.93Å | ||
| 921 | F | 79 | Confident | 64.1 | Low | 22 Ų | 22 | 86.1 Ų | 86.1 | 10% | 0.096 | 44% | 0.442 | C | S | . | . | B | Isolated β-bridge | trans | -119.3 | 133.4 | 179.4 | -72.6 | -93 | 0 | 0 | 0 | 109.8 | M891 I892 V915 L919 V923 K970 F974 | M891-F921 HydrophobicContact CB-CD1 4.33Å; M891-F921 WeakPolarHBondContact O-CA 3.04Å; I892-F921 HydrophobicContact CG1-CE1 4.2Å; V915-F921 HydrophobicContact CG1-CZ 4.14Å; L919-F921 HydrophobicContact CB-CD2 4.24Å; L919-F921 HydrophobicContact CB-CE2 3.64Å; L919-F921 HydrophobicContact CB-CZ 4.07Å; L919-F921 HydrophobicContact CD1-CZ 4.41Å; L919-F921 VanDerWaalsContact O-CD2 3.26Å; L919-F921 WeakPolarHBondContact O-CD2 3.34Å; F921-V923 PolarHBondContact O-N 3.18Å; F921-K970 HydrophobicContact CB-CD 4.24Å; F921-K970 HydrophobicContact CB-CG 3.96Å; F921-K970 HydrophobicContact CD1-CB 4.21Å; F921-K970 HydrophobicContact CD1-CG 4.3Å; F921-K970 HydrophobicContact CD2-CB 4.25Å; F921-K970 HydrophobicContact CD2-CD 3.93Å; F921-K970 HydrophobicContact CD2-CG 4.09Å; F921-K970 HydrophobicContact CE1-CB 4.39Å; F921-K970 WeakPolarHBondContact CE1-O 3.38Å; F921-K970 HydrophobicContact CE2-CB 4.43Å; F921-K970 HydrophobicContact CG-CB 4.14Å; F921-K970 HydrophobicContact CG-CD 4.15Å; F921-K970 HydrophobicContact CG-CG 3.85Å; F921-F974 HydrophobicContact CE1-CB 4.16Å; F921-F974 HydrophobicContact CZ-CB 4.27Å |
| 922 | Q | 68.3 | Low | 61.9 | Low | 82 Ų | 82 | 89.3 Ų | 89.3 | 38% | 0.383 | 46% | 0.455 | S | S | . | . | trans | -77.2 | 104.8 | 174.1 | -73.3 | -166.7 | -6.7 | 0 | 0 | 110.7 | M891 D893 | M891-Q922 PolarHBondContact O-N 3.1Å; D893-Q922 HydrophobicContact CB-CG 4.38Å | ||
| 923 | V | 59.7 | Low | 59.8 | Low | 62 Ų | 62 | 95 Ų | 95 | 38% | 0.376 | 48% | 0.479 | S | S | . | . | trans | -85.3 | 129.4 | 169.2 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | F921 E925 L966 | F921-V923 PolarHBondContact O-N 3.18Å; V923-E925 PolarHBondContact O-N 3.05Å; V923-L966 HydrophobicContact CB-CD1 4.43Å; V923-L966 HydrophobicContact CG1-CD1 3.67Å; V923-L966 HydrophobicContact CG2-CD1 3.82Å; V923-L966 HydrophobicContact CG2-CD2 4.46Å; V923-L966 HydrophobicContact CG2-CG 4.47Å | ||
| 924 | K | 56.5 | Low | 57.8 | Low | 144 Ų | 144 | 98.8 Ų | 98.8 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | trans | -42.3 | 127.4 | -172.2 | -70.6 | 179.4 | 177.7 | 177.3 | 0 | 113.5 | N926 | K924-N926 PolarHBondContact O-N 3.16Š| ||
| 925 | E | 48.2 | Very low | 55.7 | Low | 122 Ų | 122 | 103.5 Ų | 103.5 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -1 | -175.1 | -65.7 | 157.7 | 125.4 | 0 | 0 | 116.6 | V923 E927 S929 | V923-E925 PolarHBondContact O-N 3.05Å; E925-E927 PolarHBondContact O-N 2.77Å; E925-E927 VanDerWaalsContact O-N 3.12Å; E925-S929 PolarHBondContact O-OG 3.38Å |
| 926 | N | 41.9 | Very low | 53.4 | Low | 122 Ų | 122 | 112.9 Ų | 112.9 | 65% | 0.652 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -6 | -176.1 | -71.4 | 10 | 0 | 0 | 0 | 114.6 | K924 | K924-N926 PolarHBondContact O-N 3.16Š|
| 927 | E | 38.3 | Very low | 51.2 | Low | 152 Ų | 152 | 118.7 Ų | 118.7 | 71% | 0.71 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | -36.2 | -176.7 | -70 | 175.2 | -177.8 | 0 | 0 | 113.3 | E925 | E925-E927 PolarHBondContact O-N 2.77Å; E925-E927 VanDerWaalsContact O-N 3.12Å |
| 928 | A | 34.1 | Very low | 48.9 | Very low | 68 Ų | 68 | 122 Ų | 122 | 56% | 0.562 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -39.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | K930 F931 | A928-K930 PolarHBondContact O-N 3.28Å; A928-F931 PolarHBondContact O-N 2.72Å |
| 929 | S | 39.2 | Very low | 46.6 | Very low | 62 Ų | 62 | 130 Ų | 130 | 43% | 0.434 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.7 | -25.7 | 178.9 | 47 | 0 | 0 | 0 | 0 | 113.8 | E925 F931 | E925-S929 PolarHBondContact O-OG 3.38Å; S929-F931 VanDerWaalsContact C-N 3.28Å; S929-F931 PolarHBondContact O-N 3.08Å |
| 930 | K | 37.3 | Very low | 44.3 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.6 | -14.9 | 172.8 | -82.9 | -178.3 | 173.6 | 176.5 | 0 | 114.5 | A928 | A928-K930 PolarHBondContact O-N 3.28Å |
| 931 | F | 32.5 | Very low | 41.9 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -102.2 | -23 | -175 | -120.6 | -89 | 0 | 0 | 0 | 113.6 | A928 S929 | A928-F931 PolarHBondContact O-N 2.72Å; S929-F931 VanDerWaalsContact C-N 3.28Å; S929-F931 PolarHBondContact O-N 3.08Å |
| 932 | E | 38.2 | Very low | 39.7 | Very low | 163 Ų | 163 | 137 Ų | 137 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -94.4 | -23.5 | 179.8 | -70.7 | -173.1 | 131.8 | 0 | 0 | 114 | D934 K935 | E932-D934 PolarHBondContact O-N 3.37Å; E932-K935 PolarHBondContact O-N 3.37Å |
| 933 | M | 37.2 | Very low | 38 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 80% | 0.803 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -66.3 | -21.7 | 177.7 | -78.9 | -175.1 | 63.7 | 0 | 0 | 114.2 | K935 | M933-K935 VanDerWaalsContact C-N 3.27Å; M933-K935 PolarHBondContact O-N 2.75Å |
| 934 | D | 40.9 | Very low | 36.5 | Very low | 147 Ų | 147 | 148 Ų | 148 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -80 | 3.2 | -178.8 | -84.7 | -26 | 0 | 0 | 0 | 114.4 | E932 | E932-D934 PolarHBondContact O-N 3.37Š|
| 935 | K | 41 | Very low | 35.1 | Very low | 180 Ų | 180 | 148 Ų | 148 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -118.2 | 14.9 | -168.5 | -78.7 | -170.6 | 175.2 | -178.5 | 0 | 118 | E932 M933 | E932-K935 PolarHBondContact O-N 3.37Å; M933-K935 VanDerWaalsContact C-N 3.27Å; M933-K935 PolarHBondContact O-N 2.75Å |
| 936 | K | 33.2 | Very low | 34.2 | Very low | 197 Ų | 197 | 147 Ų | 147 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -132 | 139.1 | 166.4 | -71.2 | -172.2 | 178.3 | 178.8 | 0 | 112.2 | ||
| 937 | P | 32.8 | Very low | 33.7 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 84% | 0.844 | 74% | 0.742 | S | S | * | * | trans | -87.3 | 159.9 | -154.6 | 33.9 | -37.8 | 0 | 0 | 0 | 116.1 | ||||
| 938 | K | 31.1 | Very low | 33.3 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | -71.4 | 152.3 | -178.3 | -58.6 | 166.7 | -179.6 | 171.7 | 0 | 113.3 | ||||
| 939 | K | 30.4 | Very low | 33.3 | Very low | 208 Ų | 208 | 147.8 Ų | 147.8 | 90% | 0.904 | 74% | 0.744 | S | S | * | * | trans | -117.4 | 137.8 | 142.6 | -84.5 | -171.4 | 173.3 | -176.3 | 0 | 108.9 | ||||
| 940 | P | 30.8 | Very low | 33 | Very low | 118 Ų | 118 | 155 Ų | 155 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -110.2 | -175.8 | -168 | 42.8 | -36.5 | 0 | 0 | 0 | 114.4 | ||||
| 941 | S | 29.6 | Very low | 32.8 | Very low | 102 Ų | 102 | 158.4 Ų | 158.4 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | 88.5 | 135 | 173.7 | 114.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 942 | D | 33.3 | Very low | 32.9 | Very low | 114 Ų | 114 | 156 Ų | 156 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | cis | -134.1 | 131.2 | 5.2 | -90.3 | -63.2 | 0 | 0 | 0 | 111.5 | ||||
| 943 | R | 31.2 | Very low | 32.7 | Very low | 211 Ų | 211 | 153.1 Ų | 153.1 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | 54.1 | 127.7 | 101.2 | -65.6 | -177.2 | 177.8 | 177 | -1.3 | 113.6 | |||||
| 944 | K | 28.2 | Very low | 32.5 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | cis | -158.4 | 172.1 | 3.1 | -90.2 | 159.3 | 175.7 | -176.4 | 0 | 105.2 | ||||
| 945 | M | 27.5 | Very low | 32 | Very low | 145 Ų | 145 | 151.9 Ų | 151.9 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | cis | -159.6 | 149 | 22.8 | -159.6 | 77.7 | 94.1 | 0 | 0 | 110.2 | ||||
| 946 | S | 30 | Very low | 31.6 | Very low | 99 Ų | 99 | 150 Ų | 150 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | 24.1 | 147 | 146.8 | 72.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 947 | M | 30.8 | Very low | 31.9 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | cis | -154.2 | 174.9 | 24.5 | -68.3 | -177.6 | 78.3 | 0 | 0 | 108.3 | ||||
| 948 | D | 30.1 | Very low | 32.2 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | cis | -155 | 141.3 | -24.4 | -109.6 | 32 | 0 | 0 | 0 | 106.4 | ||||
| 949 | A | 34.8 | Very low | 32.3 | Very low | 76 Ų | 76 | 141.8 Ų | 141.8 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | 74.1 | 94.2 | 73 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 950 | K | 33.1 | Very low | 32.9 | Very low | 212 Ų | 212 | 135.2 Ų | 135.2 | 92% | 0.922 | 72% | 0.723 | S | S | * | * | trans | -179.4 | 116.1 | 130.4 | -96.9 | 159.3 | -171.7 | 177.2 | 0 | 113.1 | ||||
| 951 | R | 31.8 | Very low | 33.8 | Very low | 236 Ų | 236 | 137.6 Ų | 137.6 | 89% | 0.891 | 72% | 0.724 | S | S | * | * | trans | -113.5 | 164.7 | 147.4 | -70.9 | -176.9 | 178.6 | 171.3 | 1.1 | 106.6 | ||||
| 952 | P | 34.2 | Very low | 35 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 81% | 0.805 | 72% | 0.718 | S | S | * | * | -148.6 | -146.6 | 105.5 | 41.6 | -20.6 | 0 | 0 | 0 | 112.9 | |||||
| 953 | P | 35.2 | Very low | 36.2 | Very low | 102 Ų | 102 | 136 Ų | 136 | 66% | 0.662 | 71% | 0.713 | S | S | * | * | -128.5 | -152 | -117.5 | 36.3 | -11.4 | 0 | 0 | 0 | 115.1 | |||||
| 954 | H | 33.6 | Very low | 38 | Very low | 148 Ų | 148 | 131 Ų | 131 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | trans | 73.6 | 145.3 | -179.9 | -64.7 | -94.1 | 0 | 0 | 0 | 116.6 | ||||
| 955 | E | 30.1 | Very low | 40.3 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | cis | -163.2 | 146.1 | -27.1 | -125.8 | 162.7 | -167.1 | 0 | 0 | 110.3 | S957 | E955-S957 VanDerWaalsContact C-N 3.34Å; E955-S957 PolarHBondContact O-N 3.44Å | ||
| 956 | T | 32 | Very low | 42.5 | Very low | 139 Ų | 139 | 122.6 Ų | 122.6 | 85% | 0.853 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 28.2 | -7.3 | 150.6 | 45.1 | 0 | 0 | 0 | 0 | 126.3 | ||
| 957 | S | 39.2 | Very low | 44.9 | Very low | 97 Ų | 97 | 121.5 Ų | 121.5 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | trans | -99.3 | -11.1 | -170.8 | 64.7 | 0 | 0 | 0 | 0 | 117.5 | E955 S959 | E955-S957 VanDerWaalsContact C-N 3.34Å; E955-S957 PolarHBondContact O-N 3.44Å; S957-S959 VanDerWaalsContact C-N 3.33Å; S957-S959 PolarHBondContact O-N 3.15Å | ||
| 958 | K | 38.6 | Very low | 47.4 | Very low | 166 Ų | 166 | 120 Ų | 120 | 72% | 0.722 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 6.3 | -170.5 | -69.3 | -179.3 | 178.4 | 172.6 | 0 | 116.2 | N962 | K958-N962 PolarHBondContact O-ND2 3.45Š|
| 959 | S | 34.5 | Very low | 49.8 | Very low | 96 Ų | 96 | 118.5 Ų | 118.5 | 67% | 0.671 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.9 | -40.1 | -175.2 | 54 | 0 | 0 | 0 | 0 | 113.8 | S957 | S957-S959 VanDerWaalsContact C-N 3.33Å; S957-S959 PolarHBondContact O-N 3.15Å |
| 960 | A | 42.5 | Very low | 52.1 | Low | 70 Ų | 70 | 117.4 Ų | 117.4 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73.4 | -44.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.5 | N962 S963 | A960-N962 PolarHBondContact O-N 3.34Å; A960-S963 PolarHBondContact O-N 3.16Å; A960-S963 PolarHBondContact O-OG 3.42Å |
| 961 | Q | 48.9 | Very low | 54.6 | Low | 168 Ų | 168 | 108.8 Ų | 108.8 | 79% | 0.785 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.9 | -26.2 | -174.3 | -145.7 | 171.5 | 17 | 0 | 0 | 112.8 | ||
| 962 | N | 54.6 | Low | 57.1 | Low | 108 Ų | 108 | 104.1 Ų | 104.1 | 58% | 0.578 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.3 | -30 | 175 | -72.6 | -17.6 | 0 | 0 | 0 | 112.8 | K958 A960 S965 L966 | K958-N962 PolarHBondContact O-ND2 3.45Å; A960-N962 PolarHBondContact O-N 3.34Å; N962-S965 PolarHBondContact O-OG 3.45Å; N962-L966 WeakPolarHBondContact O-CB 3.48Å; N962-L966 PolarHBondContact O-N 3.33Å; N962-L966 VanDerWaalsContact O-N 3.11Å |
| 963 | S | 59.2 | Low | 59.4 | Low | 74 Ų | 74 | 98.5 Ų | 98.5 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68 | -40.5 | -174.1 | 78.2 | 0 | 0 | 0 | 0 | 113.2 | A960 L966 Y967 | A960-S963 PolarHBondContact O-N 3.16Å; A960-S963 PolarHBondContact O-OG 3.42Å; S963-L966 WeakPolarHBondContact O-CB 3.23Å; S963-L966 PolarHBondContact O-N 3.29Å; S963-Y967 PolarHBondContact O-N 3.35Å |
| 964 | L | 69.4 | Low | 61.9 | Low | 107 Ų | 107 | 93.6 Ų | 93.6 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.4 | -38.6 | -175.8 | -139.4 | 162.3 | 0 | 0 | 0 | 111.3 | L966 Y967 F968 | L964-L966 VanDerWaalsContact C-N 3.31Å; L964-L966 PolarHBondContact O-N 2.67Å; L964-Y967 PolarHBondContact O-N 3.22Å; L964-F968 HydrophobicContact CD2-CD2 3.69Å; L964-F968 HydrophobicContact CD2-CE2 3.4Å; L964-F968 VanDerWaalsContact CD2-CE2 3.4Å; L964-F968 PolarHBondContact O-N 2.69Å |
| 965 | S | 75.6 | Confident | 64.5 | Low | 75 Ų | 75 | 89.7 Ų | 89.7 | 52% | 0.524 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 170.2 | 79.2 | 0 | 0 | 0 | 0 | 112.2 | N962 R969 | N962-S965 PolarHBondContact O-OG 3.45Å; S965-R969 WeakPolarHBondContact O-CB 3.43Å; S965-R969 PolarHBondContact O-N 3.07Å; S965-R969 VanDerWaalsContact O-N 3.11Å |
| 966 | L | 74.4 | Confident | 67.2 | Low | 58 Ų | 58 | 87.3 Ų | 87.3 | 30% | 0.304 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 178.6 | -170.4 | 70 | 0 | 0 | 0 | 111.4 | V923 N962 S963 L964 R969 K970 | V923-L966 HydrophobicContact CB-CD1 4.43Å; V923-L966 HydrophobicContact CG1-CD1 3.67Å; V923-L966 HydrophobicContact CG2-CD1 3.82Å; V923-L966 HydrophobicContact CG2-CD2 4.46Å; V923-L966 HydrophobicContact CG2-CG 4.47Å; N962-L966 WeakPolarHBondContact O-CB 3.48Å; N962-L966 PolarHBondContact O-N 3.33Å; N962-L966 VanDerWaalsContact O-N 3.11Å; S963-L966 WeakPolarHBondContact O-CB 3.23Å; S963-L966 PolarHBondContact O-N 3.29Å; L964-L966 VanDerWaalsContact C-N 3.31Å; L964-L966 PolarHBondContact O-N 2.67Å; L966-R969 PolarHBondContact O-N 2.92Å; L966-K970 WeakPolarHBondContact O-CG 3.16Å; L966-K970 PolarHBondContact O-N 3.39Å |
| 967 | Y | 81.5 | Confident | 69.8 | Low | 75 Ų | 75 | 80.8 Ų | 80.8 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.3 | -54 | 176.8 | 173.4 | -90.7 | 0 | 0 | 0 | 112.5 | P913 P916 S963 L964 R969 K970 L971 | P913-Y967 WeakPolarHBondContact CA-OH 3.4Å; P913-Y967 VanDerWaalsContact CB-OH 3.27Å; P913-Y967 WeakPolarHBondContact CB-OH 3.23Å; P913-Y967 PolarHBondContact O-OH 3.19Å; P916-Y967 HydrophobicContact CB-CD2 3.86Å; P916-Y967 HydrophobicContact CB-CE2 3.97Å; P916-Y967 HydrophobicContact CG-CD2 3.84Å; P916-Y967 HydrophobicContact CG-CE2 3.66Å; S963-Y967 PolarHBondContact O-N 3.35Å; L964-Y967 PolarHBondContact O-N 3.22Å; Y967-R969 PolarHBondContact O-N 3.33Å; Y967-K970 WeakPolarHBondContact O-CB 3.33Å; Y967-K970 PolarHBondContact O-N 2.99Å; Y967-K970 VanDerWaalsContact O-N 3.13Å; Y967-L971 PolarHBondContact O-N 3.01Å; Y967-L971 VanDerWaalsContact O-N 3.1Å |
| 968 | F | 81.9 | Confident | 72.2 | Confident | 128 Ų | 128 | 76.4 Ų | 76.4 | 56% | 0.561 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.9 | -36.1 | 176.8 | -82.4 | -63.3 | 0 | 0 | 0 | 112.3 | L964 L971 Q972 | L964-F968 HydrophobicContact CD2-CD2 3.69Å; L964-F968 HydrophobicContact CD2-CE2 3.4Å; L964-F968 VanDerWaalsContact CD2-CE2 3.4Å; L964-F968 PolarHBondContact O-N 2.69Å; F968-L971 PolarHBondContact O-N 2.74Å; F968-Q972 PolarHBondContact O-N 2.73Å |
| 969 | R | 81.4 | Confident | 74.6 | Confident | 93 Ų | 93 | 68.7 Ų | 68.7 | 35% | 0.351 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 176 | -176.9 | 170.9 | 162.4 | -151 | -14.7 | 112.4 | M891 S965 L966 Y967 G973 | M891-R969 HydrophobicContact CE-CG 3.98Å; M891-R969 WeakPolarHBondContact CE-O 3.41Å; S965-R969 WeakPolarHBondContact O-CB 3.43Å; S965-R969 PolarHBondContact O-N 3.07Å; S965-R969 VanDerWaalsContact O-N 3.11Å; L966-R969 PolarHBondContact O-N 2.92Å; Y967-R969 PolarHBondContact O-N 3.33Å; R969-G973 PolarHBondContact O-N 2.97Å |
| 970 | K | 83.2 | Confident | 77.2 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 24% | 0.235 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 171.5 | -75.1 | 177.6 | 175.5 | -173.1 | 0 | 111.2 | P916 F921 L966 Y967 G973 F974 | P916-K970 HydrophobicContact CB-CB 4.13Å; P916-K970 HydrophobicContact CB-CD 3.92Å; P916-K970 HydrophobicContact CG-CB 4.27Å; F921-K970 HydrophobicContact CB-CD 4.24Å; F921-K970 HydrophobicContact CB-CG 3.96Å; F921-K970 HydrophobicContact CD1-CB 4.21Å; F921-K970 HydrophobicContact CD1-CG 4.3Å; F921-K970 HydrophobicContact CD2-CB 4.25Å; F921-K970 HydrophobicContact CD2-CD 3.93Å; F921-K970 HydrophobicContact CD2-CG 4.09Å; F921-K970 HydrophobicContact CE1-CB 4.39Å; F921-K970 WeakPolarHBondContact CE1-O 3.38Å; F921-K970 HydrophobicContact CE2-CB 4.43Å; F921-K970 HydrophobicContact CG-CB 4.14Å; F921-K970 HydrophobicContact CG-CD 4.15Å; F921-K970 HydrophobicContact CG-CG 3.85Å; L966-K970 WeakPolarHBondContact O-CG 3.16Å; L966-K970 PolarHBondContact O-N 3.39Å; Y967-K970 WeakPolarHBondContact O-CB 3.33Å; Y967-K970 PolarHBondContact O-N 2.99Å; Y967-K970 VanDerWaalsContact O-N 3.13Å; K970-G973 WeakPolarHBondContact O-CA 3.44Å; K970-G973 PolarHBondContact O-N 2.93Å; K970-G973 VanDerWaalsContact O-N 3.14Å; K970-F974 PolarHBondContact O-N 3.06Å |
| 971 | L | 84.8 | Confident | 79.5 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -45.7 | 178.7 | -172.1 | 66 | 0 | 0 | 0 | 112.2 | P912 V915 P916 Y967 F968 G973 F974 Y975 | P912-L971 HydrophobicContact CB-CD1 4.34Å; P912-L971 VanDerWaalsContact O-CD1 3.29Å; P912-L971 WeakPolarHBondContact O-CD1 3.29Å; V915-L971 HydrophobicContact CB-CD1 4.36Å; P916-L971 HydrophobicContact CG-CB 4.5Å; Y967-L971 PolarHBondContact O-N 3.01Å; Y967-L971 VanDerWaalsContact O-N 3.1Å; F968-L971 PolarHBondContact O-N 2.74Å; L971-G973 VanDerWaalsContact C-N 3.29Å; L971-G973 PolarHBondContact O-N 3.21Å; L971-F974 WeakPolarHBondContact O-CB 3.25Å; L971-F974 PolarHBondContact O-N 3.47Å; L971-Y975 HydrophobicContact CD1-CD2 4.5Å; L971-Y975 HydrophobicContact CD1-CE2 3.81Å; L971-Y975 HydrophobicContact CG-CE2 4.14Å; L971-Y975 WeakPolarHBondContact O-CD2 3.33Å; L971-Y975 PolarHBondContact O-N 3.08Å |
| 972 | Q | 84.6 | Confident | 81.4 | Confident | 137 Ų | 137 | 55.2 Ų | 55.2 | 64% | 0.64 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.1 | -39.6 | 174 | -172 | -176.8 | 26.1 | 0 | 0 | 111.7 | F968 F974 L976 | F968-Q972 PolarHBondContact O-N 2.73Å; Q972-F974 VanDerWaalsContact C-N 3.33Å; Q972-F974 PolarHBondContact O-N 3.32Å; Q972-L976 VanDerWaalsContact O-CB 3.24Å; Q972-L976 WeakPolarHBondContact O-CB 3.41Å; Q972-L976 PolarHBondContact O-N 2.68Å; Q972-L976 VanDerWaalsContact O-N 3.08Å |
| 973 | G | 82.8 | Confident | 83 | Confident | 6 Ų | 6 | 51 Ų | 51 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M891 R969 K970 L971 S977 | M891-G973 VanDerWaalsContact CE-CA 3.49Å; R969-G973 PolarHBondContact O-N 2.97Å; K970-G973 WeakPolarHBondContact O-CA 3.44Å; K970-G973 PolarHBondContact O-N 2.93Å; K970-G973 VanDerWaalsContact O-N 3.14Å; L971-G973 VanDerWaalsContact C-N 3.29Å; L971-G973 PolarHBondContact O-N 3.21Å; G973-S977 PolarHBondContact O-N 2.75Å; G973-S977 PolarHBondContact O-OG 3.01Å |
| 974 | F | 88.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.8 | -61.6 | 177.6 | 179.4 | -101.6 | 0 | 0 | 0 | 111.6 | I892 A904 L905 V915 L919 F921 K970 L971 Q972 L976 S977 V980 Y984 | I892-F974 HydrophobicContact CD1-CD2 3.8Å; I892-F974 HydrophobicContact CD1-CE2 4.22Å; I892-F974 HydrophobicContact CG1-CD2 4.39Å; A904-F974 HydrophobicContact CB-CE2 4.27Å; A904-F974 WeakPolarHBondContact O-CZ 3.49Å; L905-F974 HydrophobicContact CD2-CZ 4.19Å; V915-F974 HydrophobicContact CG1-CB 4.09Å; V915-F974 HydrophobicContact CG1-CD1 3.94Å; V915-F974 HydrophobicContact CG1-CD2 3.58Å; V915-F974 HydrophobicContact CG1-CE1 4.22Å; V915-F974 HydrophobicContact CG1-CE2 3.9Å; V915-F974 HydrophobicContact CG1-CG 3.6Å; V915-F974 HydrophobicContact CG1-CZ 4.2Å; V915-F974 HydrophobicContact CG2-CE1 4.5Å; L919-F974 HydrophobicContact CD1-CD2 3.93Å; L919-F974 HydrophobicContact CD1-CE2 3.82Å; F921-F974 HydrophobicContact CE1-CB 4.16Å; F921-F974 HydrophobicContact CZ-CB 4.27Å; K970-F974 PolarHBondContact O-N 3.06Å; L971-F974 WeakPolarHBondContact O-CB 3.25Å; L971-F974 PolarHBondContact O-N 3.47Å; Q972-F974 VanDerWaalsContact C-N 3.33Å; Q972-F974 PolarHBondContact O-N 3.32Å; F974-L976 VanDerWaalsContact C-N 3.26Å; F974-L976 PolarHBondContact O-N 3.09Å; F974-S977 WeakPolarHBondContact O-CB 3.47Å; F974-S977 PolarHBondContact O-N 2.94Å; F974-V980 HydrophobicContact CD1-CG1 4.17Å; F974-V980 HydrophobicContact CD2-CG2 3.93Å; F974-V980 HydrophobicContact CE1-CG1 3.86Å; F974-V980 HydrophobicContact CE1-CG2 4.44Å; F974-V980 HydrophobicContact CE2-CG2 3.76Å; F974-V980 HydrophobicContact CG-CG2 4.35Å; F974-V980 HydrophobicContact CZ-CG1 4.1Å; F974-V980 HydrophobicContact CZ-CG2 4.03Å; F974-V980 WeakPolarHBondContact O-CB 3.11Å; F974-V980 WeakPolarHBondContact O-CG2 3.49Å; F974-Y984 HydrophobicContact CE1-CE2 4.12Å; F974-Y984 WeakPolarHBondContact CE1-OH 3.47Å |
| 975 | Y | 87 | Confident | 85.5 | Confident | 65 Ų | 65 | 43.7 Ų | 43.7 | 26% | 0.255 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.3 | -25.6 | -179.2 | -64 | -73.9 | 0 | 0 | 0 | 114 | G908 P912 L971 S977 Y984 | G908-Y975 PolarHBondContact O-OH 2.93Å; P912-Y975 WeakPolarHBondContact CB-OH 3.49Å; L971-Y975 HydrophobicContact CD1-CD2 4.5Å; L971-Y975 HydrophobicContact CD1-CE2 3.81Å; L971-Y975 HydrophobicContact CG-CE2 4.14Å; L971-Y975 WeakPolarHBondContact O-CD2 3.33Å; L971-Y975 PolarHBondContact O-N 3.08Å; Y975-S977 VanDerWaalsContact C-N 3.3Å; Y975-Y984 HydrophobicContact CD1-CD2 4.44Å; Y975-Y984 AromaticContact CD1-CE2 3.83Å; Y975-Y984 HydrophobicContact CD1-CE2 3.83Å; Y975-Y984 AromaticContact CE1-CE2 3.75Å; Y975-Y984 HydrophobicContact CE1-CE2 3.75Å |
| 976 | L | 86.5 | Confident | 86.1 | Confident | 86 Ų | 86 | 41.3 Ų | 41.3 | 45% | 0.45 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -77.4 | -15.4 | 176.8 | -159.1 | 70 | 0 | 0 | 0 | 112.7 | Q972 F974 R981 P1273 | Q972-L976 VanDerWaalsContact O-CB 3.24Å; Q972-L976 WeakPolarHBondContact O-CB 3.41Å; Q972-L976 PolarHBondContact O-N 2.68Å; Q972-L976 VanDerWaalsContact O-N 3.08Å; F974-L976 VanDerWaalsContact C-N 3.26Å; F974-L976 PolarHBondContact O-N 3.09Å; L976-R981 PolarHBondContact O-NE 2.78Å; L976-R981 PolarHBondContact O-NH2 2.97Å; L976-P1273 HydrophobicContact CD1-CG 4.29Å |
| 977 | S | 87.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -73.3 | 127.7 | -176 | -62.8 | 0 | 0 | 0 | 0 | 111.9 | N889 G890 M891 G973 F974 Y975 C979 V980 R981 | N889-S977 WeakPolarHBondContact O-CB 3.18Å; N889-S977 PolarHBondContact O-OG 3.38Å; N889-S977 VanDerWaalsContact O-OG 3.05Å; G890-S977 WeakPolarHBondContact CA-OG 3.43Å; M891-S977 PolarHBondContact N-OG 3.42Å; G973-S977 PolarHBondContact O-N 2.75Å; G973-S977 PolarHBondContact O-OG 3.01Å; F974-S977 WeakPolarHBondContact O-CB 3.47Å; F974-S977 PolarHBondContact O-N 2.94Å; Y975-S977 VanDerWaalsContact C-N 3.3Å; S977-C979 VanDerWaalsContact C-N 3.29Å; S977-C979 PolarHBondContact O-N 3.48Å; S977-V980 WeakPolarHBondContact O-CB 3.39Å; S977-V980 PolarHBondContact O-N 3.12Å; S977-R981 PolarHBondContact O-N 3.15Å |
| 978 | P | 89.4 | Confident | 87.2 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.2 | -33.7 | -178 | -28.8 | 35.7 | 0 | 0 | 0 | 115.4 | V887 W888 V980 R981 F982 V1269 | V887-P978 WeakPolarHBondContact O-CD 3.45Å; V887-P978 VanDerWaalsContact O-CG 3.23Å; V887-P978 WeakPolarHBondContact O-CG 3.26Å; W888-P978 HydrophobicContact CE3-CB 3.93Å; W888-P978 HydrophobicContact CZ3-CB 4.39Å; W888-P978 WeakPolarHBondContact O-CD 3.38Å; P978-V980 VanDerWaalsContact C-N 3.33Å; P978-V980 PolarHBondContact O-N 2.92Å; P978-R981 PolarHBondContact O-N 2.89Å; P978-F982 WeakPolarHBondContact O-CB 3.42Å; P978-F982 PolarHBondContact O-N 3.24Å; P978-V1269 HydrophobicContact CB-CG2 4.26Å; P978-V1269 HydrophobicContact CG-CB 4.42Å; P978-V1269 HydrophobicContact CG-CG2 3.41Å; P978-V1269 VanDerWaalsContact CG-CG2 3.41Å |
| 979 | C | 88.2 | Confident | 87.6 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.027 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 173.2 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | W888 F901 S977 F982 S983 | W888-C979 HydrophobicContact CD2-CB 4.15Å; W888-C979 HydrophobicContact CG-CB 4.17Å; W888-C979 HydrophobicContact CZ2-CB 4.35Å; W888-C979 WeakPolarHBondContact O-CB 3.04Å; W888-C979 PolarHBondContact O-N 3.24Å; W888-C979 PolarHBondContact O-SG 3.49Å; F901-C979 HydrophobicContact CZ-CB 4.22Å; S977-C979 VanDerWaalsContact C-N 3.29Å; S977-C979 PolarHBondContact O-N 3.48Å; C979-F982 PolarHBondContact O-N 2.81Å; C979-S983 WeakPolarHBondContact O-CB 3.47Å; C979-S983 PolarHBondContact O-N 3.44Å; C979-S983 PolarHBondContact O-OG 2.93Å; C979-S983 VanDerWaalsContact O-OG 3.13Å |
| 980 | V | 89.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.2 | -40.2 | 176.7 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | I892 F901 L905 F974 S977 P978 F982 S983 Y984 | I892-V980 HydrophobicContact CD1-CG2 3.7Å; F901-V980 HydrophobicContact CE2-CG2 3.98Å; F901-V980 HydrophobicContact CZ-CG2 4.36Å; L905-V980 HydrophobicContact CD2-CG1 4.26Å; L905-V980 HydrophobicContact CD2-CG2 4.38Å; F974-V980 HydrophobicContact CD1-CG1 4.17Å; F974-V980 HydrophobicContact CD2-CG2 3.93Å; F974-V980 HydrophobicContact CE1-CG1 3.86Å; F974-V980 HydrophobicContact CE1-CG2 4.44Å; F974-V980 HydrophobicContact CE2-CG2 3.76Å; F974-V980 HydrophobicContact CG-CG2 4.35Å; F974-V980 HydrophobicContact CZ-CG1 4.1Å; F974-V980 HydrophobicContact CZ-CG2 4.03Å; F974-V980 WeakPolarHBondContact O-CB 3.11Å; F974-V980 WeakPolarHBondContact O-CG2 3.49Å; S977-V980 WeakPolarHBondContact O-CB 3.39Å; S977-V980 PolarHBondContact O-N 3.12Å; P978-V980 VanDerWaalsContact C-N 3.33Å; P978-V980 PolarHBondContact O-N 2.92Å; V980-F982 PolarHBondContact O-N 3.43Å; V980-S983 PolarHBondContact O-N 3.43Å; V980-Y984 HydrophobicContact CG1-CD2 3.46Å; V980-Y984 VanDerWaalsContact CG1-CD2 3.46Å; V980-Y984 HydrophobicContact CG1-CE2 3.26Å; V980-Y984 HydrophobicContact CG1-CG 4.47Å; V980-Y984 WeakPolarHBondContact O-CB 3.48Å; V980-Y984 PolarHBondContact O-N 2.86Å |
| 981 | R | 90.4 | Very high | 88.5 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 173 | -59.9 | -170.4 | -158.6 | 168.4 | 18.6 | 112.1 | L976 S977 P978 T985 Y1268 V1269 R1271 | L976-R981 PolarHBondContact O-NE 2.78Å; L976-R981 PolarHBondContact O-NH2 2.97Å; S977-R981 PolarHBondContact O-N 3.15Å; P978-R981 PolarHBondContact O-N 2.89Å; R981-T985 WeakPolarHBondContact O-CB 3.45Å; R981-T985 PolarHBondContact O-N 3.3Å; R981-T985 PolarHBondContact O-OG1 3.09Å; R981-Y1268 PolarHBondContact NH1-O 2.75Å; R981-V1269 PolarHBondContact NH1-O 3.41Å; R981-R1271 PolarHBondContact NH1-O 3.33Å |
| 982 | F | 89.8 | Confident | 88.9 | Confident | 32 Ų | 32 | 31.3 Ų | 31.3 | 14% | 0.14 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.9 | -57.6 | 173.5 | 170.8 | -107.1 | 0 | 0 | 0 | 109.9 | W888 P978 C979 V980 Y984 T985 T986 L1114 V1117 Y1268 | W888-F982 HydrophobicContact CH2-CB 3.49Å; W888-F982 VanDerWaalsContact CH2-CB 3.49Å; W888-F982 AromaticContact CH2-CD1 3.91Å; W888-F982 HydrophobicContact CH2-CD1 3.91Å; W888-F982 HydrophobicContact CH2-CD2 4.18Å; W888-F982 AromaticContact CH2-CG 3.59Å; W888-F982 HydrophobicContact CH2-CG 3.59Å; W888-F982 HydrophobicContact CZ2-CB 4.02Å; W888-F982 AromaticContact CZ2-CD1 3.84Å; W888-F982 HydrophobicContact CZ2-CD1 3.84Å; W888-F982 HydrophobicContact CZ2-CG 4.01Å; W888-F982 HydrophobicContact CZ3-CB 4.25Å; P978-F982 WeakPolarHBondContact O-CB 3.42Å; P978-F982 PolarHBondContact O-N 3.24Å; C979-F982 PolarHBondContact O-N 2.81Å; V980-F982 PolarHBondContact O-N 3.43Å; F982-Y984 PolarHBondContact O-N 2.85Å; F982-T985 CarbonylContact O-C 3.43Å; F982-T985 PolarHBondContact O-N 2.82Å; F982-T985 VanDerWaalsContact O-N 3.09Å; F982-T986 WeakPolarHBondContact O-CB 3.32Å; F982-T986 PolarHBondContact O-N 2.72Å; F982-T986 PolarHBondContact O-OG1 3.06Å; F982-T986 VanDerWaalsContact O-OG1 3.08Å; F982-L1114 HydrophobicContact CE2-CD2 4.17Å; F982-V1117 HydrophobicContact CD2-CG2 4.25Å; F982-V1117 HydrophobicContact CE1-CG1 4.48Å; F982-V1117 HydrophobicContact CE1-CG2 4.43Å; F982-V1117 HydrophobicContact CE2-CG2 3.56Å; F982-V1117 HydrophobicContact CZ-CB 4.18Å; F982-V1117 HydrophobicContact CZ-CG1 4.46Å; F982-V1117 HydrophobicContact CZ-CG2 3.66Å; F982-Y1268 HydrophobicContact CB-CD1 4.13Å; F982-Y1268 HydrophobicContact CB-CE1 4.22Å; F982-Y1268 HydrophobicContact CB-CG 4.41Å; F982-Y1268 HydrophobicContact CD2-CD2 4.47Å; F982-Y1268 HydrophobicContact CD2-CE1 4.01Å; F982-Y1268 AromaticContact CD2-CE2 3.86Å; F982-Y1268 HydrophobicContact CD2-CE2 3.86Å; F982-Y1268 AromaticContact CD2-CZ 3.62Å |
| 983 | S | 88.9 | Confident | 89.3 | Confident | 21 Ų | 21 | 25 Ų | 25 | 15% | 0.147 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54.6 | -47.4 | 179.7 | -65.4 | 0 | 0 | 0 | 0 | 113.1 | C979 V980 T986 I987 | C979-S983 WeakPolarHBondContact O-CB 3.47Å; C979-S983 PolarHBondContact O-N 3.44Å; C979-S983 PolarHBondContact O-OG 2.93Å; C979-S983 VanDerWaalsContact O-OG 3.13Å; V980-S983 PolarHBondContact O-N 3.43Å; S983-T986 PolarHBondContact O-N 3.35Å; S983-I987 WeakPolarHBondContact O-CB 3.3Å; S983-I987 WeakPolarHBondContact O-CD1 3.23Å; S983-I987 WeakPolarHBondContact O-CG1 3.44Å; S983-I987 PolarHBondContact O-N 3.43Å |
| 984 | Y | 90.6 | Very high | 89.7 | Confident | 17 Ų | 17 | 28.3 Ų | 28.3 | 7% | 0.067 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.7 | -32.3 | 177.8 | -70.2 | -35 | 0 | 0 | 0 | 113.5 | L905 G908 I909 F974 Y975 V980 F982 I987 S988 P1275 | L905-Y984 HydrophobicContact CD2-CE1 3.97Å; L905-Y984 PolarHBondContact O-OH 3Å; G908-Y984 VanDerWaalsContact C-OH 3.31Å; G908-Y984 WeakPolarHBondContact CA-OH 3.03Å; I909-Y984 HydrophobicContact CD1-CD1 4.3Å; I909-Y984 HydrophobicContact CD1-CE1 3.74Å; I909-Y984 HydrophobicContact CG1-CD1 4.38Å; I909-Y984 HydrophobicContact CG1-CE1 3.56Å; F974-Y984 HydrophobicContact CE1-CE2 4.12Å; F974-Y984 WeakPolarHBondContact CE1-OH 3.47Å; Y975-Y984 HydrophobicContact CD1-CD2 4.44Å; Y975-Y984 AromaticContact CD1-CE2 3.83Å; Y975-Y984 HydrophobicContact CD1-CE2 3.83Å; Y975-Y984 AromaticContact CE1-CE2 3.75Å; Y975-Y984 HydrophobicContact CE1-CE2 3.75Å; V980-Y984 HydrophobicContact CG1-CD2 3.46Å; V980-Y984 VanDerWaalsContact CG1-CD2 3.46Å; V980-Y984 HydrophobicContact CG1-CE2 3.26Å; V980-Y984 HydrophobicContact CG1-CG 4.47Å; V980-Y984 WeakPolarHBondContact O-CB 3.48Å; V980-Y984 PolarHBondContact O-N 2.86Å; F982-Y984 PolarHBondContact O-N 2.85Å; Y984-I987 HydrophobicContact CD1-CD1 4.23Å; Y984-S988 WeakPolarHBondContact O-CB 3.37Å; Y984-S988 PolarHBondContact O-N 2.84Å; Y984-P1275 WeakPolarHBondContact O-CB 3.47Å |
| 985 | T | 88.8 | Confident | 89.9 | Confident | 10 Ų | 10 | 30.1 Ų | 30.1 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 171.3 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | R981 F982 Y989 Y1268 | R981-T985 WeakPolarHBondContact O-CB 3.45Å; R981-T985 PolarHBondContact O-N 3.3Å; R981-T985 PolarHBondContact O-OG1 3.09Å; F982-T985 CarbonylContact O-C 3.43Å; F982-T985 PolarHBondContact O-N 2.82Å; F982-T985 VanDerWaalsContact O-N 3.09Å; T985-Y989 VanDerWaalsContact O-CB 3.23Å; T985-Y989 WeakPolarHBondContact O-CB 3.38Å; T985-Y989 PolarHBondContact O-N 3.22Å; T985-Y1268 HydrophobicContact CG2-CE1 4.49Å |
| 986 | T | 88.7 | Confident | 90.1 | Very high | 24 Ų | 24 | 27.1 Ų | 27.1 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.1 | -45.5 | 176.3 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | F982 S983 Y989 I990 L1114 | F982-T986 WeakPolarHBondContact O-CB 3.32Å; F982-T986 PolarHBondContact O-N 2.72Å; F982-T986 PolarHBondContact O-OG1 3.06Å; F982-T986 VanDerWaalsContact O-OG1 3.08Å; S983-T986 PolarHBondContact O-N 3.35Å; T986-Y989 PolarHBondContact O-N 2.97Å; T986-I990 HydrophobicContact CG2-CD1 3.93Å; T986-I990 WeakPolarHBondContact O-CG1 3.43Å; T986-I990 PolarHBondContact O-N 3.49Å; T986-L1114 HydrophobicContact CG2-CD1 4.09Å |
| 987 | I | 89.5 | Confident | 90.3 | Very high | 80 Ų | 80 | 24.7 Ų | 24.7 | 41% | 0.41 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 175.5 | -69 | 162.2 | 0 | 0 | 0 | 110.2 | S983 Y984 Y989 I990 A991 | S983-I987 WeakPolarHBondContact O-CB 3.3Å; S983-I987 WeakPolarHBondContact O-CD1 3.23Å; S983-I987 WeakPolarHBondContact O-CG1 3.44Å; S983-I987 PolarHBondContact O-N 3.43Å; Y984-I987 HydrophobicContact CD1-CD1 4.23Å; I987-Y989 VanDerWaalsContact C-N 3.32Å; I987-Y989 PolarHBondContact O-N 2.66Å; I987-I990 PolarHBondContact O-N 3.36Å; I987-A991 VanDerWaalsContact O-CB 3.3Å; I987-A991 WeakPolarHBondContact O-CB 3.5Å; I987-A991 PolarHBondContact O-N 3.23Å |
| 988 | S | 90 | Very high | 90.4 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57 | -43.7 | 171.6 | 162 | 0 | 0 | 0 | 0 | 112.1 | Y984 A991 F992 W1021 P1276 | Y984-S988 WeakPolarHBondContact O-CB 3.37Å; Y984-S988 PolarHBondContact O-N 2.84Å; S988-A991 PolarHBondContact O-N 3.22Å; S988-F992 WeakPolarHBondContact O-CB 3.12Å; S988-F992 PolarHBondContact O-N 3.47Å; S988-W1021 WeakPolarHBondContact O-CZ2 3.39Å; S988-P1276 WeakPolarHBondContact CB-O 3.35Å; S988-P1276 PolarHBondContact OG-O 2.84Å |
| 989 | Y | 90.9 | Very high | 90.3 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.6 | -39.4 | -177.8 | -166.3 | -109.9 | 0 | 0 | 0 | 112.9 | T985 T986 I987 F992 L993 F1025 F1107 R1110 I1111 L1114 | T985-Y989 VanDerWaalsContact O-CB 3.23Å; T985-Y989 WeakPolarHBondContact O-CB 3.38Å; T985-Y989 PolarHBondContact O-N 3.22Å; T986-Y989 PolarHBondContact O-N 2.97Å; I987-Y989 VanDerWaalsContact C-N 3.32Å; I987-Y989 PolarHBondContact O-N 2.66Å; Y989-F992 HydrophobicContact CD2-CD1 4.25Å; Y989-F992 AromaticContact CE2-CD1 3.9Å; Y989-F992 HydrophobicContact CE2-CD1 3.9Å; Y989-F992 HydrophobicContact CE2-CE1 4.31Å; Y989-F992 WeakPolarHBondContact O-CB 3.28Å; Y989-F992 PolarHBondContact O-N 3.26Å; Y989-L993 HydrophobicContact CD1-CD1 4.11Å; Y989-L993 HydrophobicContact CE1-CD1 3.71Å; Y989-L993 HydrophobicContact CE1-CG 4.17Å; Y989-L993 WeakPolarHBondContact O-CG 3.37Å; Y989-L993 PolarHBondContact O-N 3.28Å; Y989-F1025 HydrophobicContact CD2-CE1 4.33Å; Y989-F1025 AromaticContact CD2-CZ 3.88Å; Y989-F1025 HydrophobicContact CD2-CZ 3.88Å; Y989-F1025 HydrophobicContact CE2-CZ 4.07Å; Y989-F1107 WeakPolarHBondContact OH-CA 3.3Å; Y989-F1107 WeakPolarHBondContact OH-CB 3.28Å; Y989-F1107 PolarHBondContact OH-O 3.08Å; Y989-R1110 HydrophobicContact CE1-CB 4.22Å; Y989-R1110 VanDerWaalsContact CZ-CD 3.48Å; Y989-R1110 WeakPolarHBondContact OH-CD 3.35Å; Y989-I1111 HydrophobicContact CE1-CG1 4.39Å; Y989-L1114 HydrophobicContact CD1-CD1 4.41Å |
| 990 | I | 91.5 | Very high | 90.1 | Very high | 88 Ų | 88 | 30.2 Ų | 30.2 | 45% | 0.451 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.5 | -44.6 | 172.7 | -65.9 | 165.5 | 0 | 0 | 0 | 109.8 | T986 I987 F992 L993 C994 | T986-I990 HydrophobicContact CG2-CD1 3.93Å; T986-I990 WeakPolarHBondContact O-CG1 3.43Å; T986-I990 PolarHBondContact O-N 3.49Å; I987-I990 PolarHBondContact O-N 3.36Å; I990-F992 VanDerWaalsContact C-N 3.32Å; I990-F992 PolarHBondContact O-N 3.23Å; I990-L993 PolarHBondContact O-N 3.47Å; I990-C994 PolarHBondContact O-N 3.02Å; I990-C994 PolarHBondContact O-SG 2.73Å; I990-C994 VanDerWaalsContact O-SG 3.34Å |
| 991 | A | 91.7 | Very high | 89.9 | Confident | 43 Ų | 43 | 35 Ų | 35 | 36% | 0.355 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I987 S988 F995 W1021 | I987-A991 VanDerWaalsContact O-CB 3.3Å; I987-A991 WeakPolarHBondContact O-CB 3.5Å; I987-A991 PolarHBondContact O-N 3.23Å; S988-A991 PolarHBondContact O-N 3.22Å; A991-F995 WeakPolarHBondContact O-CB 3.31Å; A991-F995 PolarHBondContact O-N 3.28Å; A991-W1021 HydrophobicContact CB-CH2 3.94Å; A991-W1021 HydrophobicContact CB-CZ2 4.43Å |
| 992 | F | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 172.2 | 166.2 | -104.6 | 0 | 0 | 0 | 111.7 | S988 Y989 I990 F995 F996 L1018 W1021 V1022 F1025 F1107 | S988-F992 WeakPolarHBondContact O-CB 3.12Å; S988-F992 PolarHBondContact O-N 3.47Å; Y989-F992 HydrophobicContact CD2-CD1 4.25Å; Y989-F992 AromaticContact CE2-CD1 3.9Å; Y989-F992 HydrophobicContact CE2-CD1 3.9Å; Y989-F992 HydrophobicContact CE2-CE1 4.31Å; Y989-F992 WeakPolarHBondContact O-CB 3.28Å; Y989-F992 PolarHBondContact O-N 3.26Å; I990-F992 VanDerWaalsContact C-N 3.32Å; I990-F992 PolarHBondContact O-N 3.23Å; F992-F995 PolarHBondContact O-N 3.46Å; F992-F996 HydrophobicContact CE1-CD1 4.3Å; F992-F996 HydrophobicContact CE2-CB 4.32Å; F992-F996 HydrophobicContact CE2-CD1 4.28Å; F992-F996 HydrophobicContact CZ-CB 4.43Å; F992-F996 AromaticContact CZ-CD1 3.73Å; F992-F996 HydrophobicContact CZ-CD1 3.73Å; F992-F996 HydrophobicContact CZ-CE1 4.45Å; F992-F996 HydrophobicContact CZ-CG 4.43Å; F992-F996 VanDerWaalsContact O-CB 3.25Å; F992-F996 WeakPolarHBondContact O-CB 3.28Å; F992-F996 PolarHBondContact O-N 3.42Å; F992-L1018 HydrophobicContact CD2-CD1 4.38Å; F992-L1018 HydrophobicContact CE2-CD1 3.82Å; F992-W1021 HydrophobicContact CB-CD2 4.04Å; F992-W1021 HydrophobicContact CB-CG 4.45Å; F992-W1021 HydrophobicContact CB-CH2 4.41Å; F992-W1021 HydrophobicContact CB-CZ2 3.86Å; F992-W1021 HydrophobicContact CD2-CB 4.03Å; F992-W1021 AromaticContact CD2-CD1 3.85Å; F992-W1021 AromaticContact CD2-CD2 3.92Å; F992-W1021 HydrophobicContact CD2-CD2 3.92Å; F992-W1021 HydrophobicContact CD2-CE3 4.48Å; F992-W1021 AromaticContact CD2-CG 3.67Å; F992-W1021 HydrophobicContact CD2-CG 3.67Å; F992-W1021 HydrophobicContact CE2-CB 4.37Å; F992-W1021 HydrophobicContact CE2-CG 4.44Å; F992-W1021 HydrophobicContact CG-CD2 4.45Å; F992-W1021 HydrophobicContact CG-CG 4.42Å; F992-V1022 HydrophobicContact CE2-CG2 4.19Å; F992-F1025 AromaticContact CD1-CE2 3.86Å; F992-F1025 HydrophobicContact CD1-CE2 3.86Å; F992-F1025 HydrophobicContact CD1-CZ 4.15Å; F992-F1025 AromaticContact CD2-CE2 3.86Å; F992-F1025 HydrophobicContact CD2-CE2 3.86Å; F992-F1025 HydrophobicContact CD2-CZ 4.49Å; F992-F1025 AromaticContact CE1-CE2 3.88Å; F992-F1025 HydrophobicContact CE1-CE2 3.88Å; F992-F1025 AromaticContact CE2-CE2 3.87Å; F992-F1025 HydrophobicContact CE2-CE2 3.87Å; F992-F1025 AromaticContact CG-CE2 3.86Å; F992-F1025 HydrophobicContact CG-CE2 3.86Å; F992-F1025 HydrophobicContact CG-CZ 4.12Å; F992-F1025 AromaticContact CZ-CE2 3.88Å; F992-F1025 HydrophobicContact CZ-CE2 3.88Å; F992-F1107 HydrophobicContact CE1-CB 4.26Å; F992-F1107 HydrophobicContact CE1-CD1 4.27Å; F992-F1107 AromaticContact CE1-CD2 3.85Å; F992-F1107 HydrophobicContact CE1-CD2 3.85Å; F992-F1107 HydrophobicContact CE1-CE2 4.19Å; F992-F1107 AromaticContact CE1-CG 3.89Å; F992-F1107 HydrophobicContact CE1-CG 3.89Å; F992-F1107 AromaticContact CZ-CD2 3.91Å; F992-F1107 HydrophobicContact CZ-CD2 3.91Å; F992-F1107 AromaticContact CZ-CE2 3.88Å; F992-F1107 HydrophobicContact CZ-CE2 3.88Å; F992-F1107 HydrophobicContact CZ-CG 4.4Å; F992-F1107 HydrophobicContact CZ-CZ 4.34Å |
| 993 | L | 92.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -45.5 | 179.4 | -71.7 | 175.2 | 0 | 0 | 0 | 111.5 | Y989 I990 T997 L1104 F1107 Y1108 I1111 | Y989-L993 HydrophobicContact CD1-CD1 4.11Å; Y989-L993 HydrophobicContact CE1-CD1 3.71Å; Y989-L993 HydrophobicContact CE1-CG 4.17Å; Y989-L993 WeakPolarHBondContact O-CG 3.37Å; Y989-L993 PolarHBondContact O-N 3.28Å; I990-L993 PolarHBondContact O-N 3.47Å; L993-T997 VanDerWaalsContact O-CB 3.26Å; L993-T997 WeakPolarHBondContact O-CB 3.5Å; L993-T997 PolarHBondContact O-N 2.82Å; L993-T997 PolarHBondContact O-OG1 3.49Å; L993-L1104 HydrophobicContact CD2-CD1 4.12Å; L993-F1107 HydrophobicContact CD2-CB 3.79Å; L993-Y1108 HydrophobicContact CB-CE1 4.31Å; L993-Y1108 HydrophobicContact CD1-CD1 4.04Å; L993-Y1108 HydrophobicContact CD1-CE1 4.12Å; L993-Y1108 HydrophobicContact CD2-CD1 4.49Å; L993-Y1108 HydrophobicContact CD2-CD2 4.32Å; L993-Y1108 HydrophobicContact CD2-CE2 4.44Å; L993-Y1108 HydrophobicContact CD2-CG 4.34Å; L993-I1111 HydrophobicContact CD1-CD1 3.69Å; L993-I1111 HydrophobicContact CD1-CG1 3.89Å |
| 994 | C | 92.2 | Very high | 87.5 | Confident | 76 Ų | 76 | 40.3 Ų | 40.3 | 51% | 0.514 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 175.5 | -65.4 | 0 | 0 | 0 | 0 | 111.8 | I990 T997 Y998 | I990-C994 PolarHBondContact O-N 3.02Å; I990-C994 PolarHBondContact O-SG 2.73Å; I990-C994 VanDerWaalsContact O-SG 3.34Å; C994-T997 PolarHBondContact O-N 2.89Å; C994-Y998 WeakPolarHBondContact O-CB 3.21Å; C994-Y998 PolarHBondContact O-N 3.3Å |
| 995 | F | 91.7 | Very high | 86.1 | Confident | 39 Ų | 39 | 43.8 Ų | 43.8 | 17% | 0.171 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.7 | -43.1 | -180 | -176.4 | -106.1 | 0 | 0 | 0 | 112.6 | A991 F992 T997 Y998 V999 Q1014 L1017 L1018 W1021 | A991-F995 WeakPolarHBondContact O-CB 3.31Å; A991-F995 PolarHBondContact O-N 3.28Å; F992-F995 PolarHBondContact O-N 3.46Å; F995-T997 VanDerWaalsContact C-N 3.34Å; F995-Y998 WeakPolarHBondContact O-CB 3.25Å; F995-Y998 PolarHBondContact O-N 3.49Å; F995-V999 HydrophobicContact CD1-CG2 4.2Å; F995-V999 HydrophobicContact CE1-CG2 3.75Å; F995-V999 HydrophobicContact CE2-CG2 4.14Å; F995-V999 HydrophobicContact CZ-CG2 3.7Å; F995-V999 WeakPolarHBondContact O-CG2 3.49Å; F995-V999 PolarHBondContact O-N 3.04Å; F995-Q1014 WeakPolarHBondContact CE1-O 3.22Å; F995-Q1014 HydrophobicContact CZ-CB 4.2Å; F995-Q1014 WeakPolarHBondContact CZ-O 3.38Å; F995-L1017 HydrophobicContact CE1-CB 4.08Å; F995-L1017 HydrophobicContact CE1-CD2 4.11Å; F995-L1017 HydrophobicContact CE1-CG 4.02Å; F995-L1017 HydrophobicContact CE2-CD2 4.14Å; F995-L1017 HydrophobicContact CZ-CB 4.04Å; F995-L1017 HydrophobicContact CZ-CD2 3.75Å; F995-L1017 HydrophobicContact CZ-CG 4.09Å; F995-L1018 HydrophobicContact CE1-CB 3.99Å; F995-W1021 HydrophobicContact CB-CZ3 4.46Å; F995-W1021 HydrophobicContact CD1-CE3 4.33Å; F995-W1021 HydrophobicContact CD1-CZ3 4.42Å |
| 996 | F | 91.3 | Very high | 84.5 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66 | -38.4 | 175.3 | -173.2 | -165.7 | 0 | 0 | 0 | 110.9 | F992 V999 L1000 L1018 F1059 Y1100 L1104 F1107 | F992-F996 HydrophobicContact CE1-CD1 4.3Å; F992-F996 HydrophobicContact CE2-CB 4.32Å; F992-F996 HydrophobicContact CE2-CD1 4.28Å; F992-F996 HydrophobicContact CZ-CB 4.43Å; F992-F996 AromaticContact CZ-CD1 3.73Å; F992-F996 HydrophobicContact CZ-CD1 3.73Å; F992-F996 HydrophobicContact CZ-CE1 4.45Å; F992-F996 HydrophobicContact CZ-CG 4.43Å; F992-F996 VanDerWaalsContact O-CB 3.25Å; F992-F996 WeakPolarHBondContact O-CB 3.28Å; F992-F996 PolarHBondContact O-N 3.42Å; F996-V999 PolarHBondContact O-N 2.88Å; F996-L1000 VanDerWaalsContact O-CB 3.3Å; F996-L1000 WeakPolarHBondContact O-CB 3.43Å; F996-L1000 PolarHBondContact O-N 2.95Å; F996-L1018 HydrophobicContact CB-CD1 3.83Å; F996-L1018 HydrophobicContact CD2-CD1 3.91Å; F996-L1018 HydrophobicContact CD2-CD2 3.54Å; F996-L1018 HydrophobicContact CD2-CG 4.39Å; F996-L1018 HydrophobicContact CE2-CD2 3.89Å; F996-L1018 HydrophobicContact CG-CD1 3.86Å; F996-L1018 HydrophobicContact CG-CD2 4.34Å; F996-F1059 HydrophobicContact CE1-CD2 4.23Å; F996-F1059 HydrophobicContact CE1-CE2 4.39Å; F996-F1059 HydrophobicContact CE2-CD2 4.42Å; F996-F1059 AromaticContact CE2-CE2 3.98Å; F996-F1059 HydrophobicContact CE2-CE2 3.98Å; F996-F1059 AromaticContact CZ-CD2 3.79Å; F996-F1059 HydrophobicContact CZ-CD2 3.79Å; F996-F1059 AromaticContact CZ-CE2 3.8Å; F996-F1059 HydrophobicContact CZ-CE2 3.8Å; F996-Y1100 HydrophobicContact CZ-CD1 4.46Å; F996-Y1100 WeakPolarHBondContact CZ-O 3.49Å; F996-L1104 HydrophobicContact CB-CD1 4.15Å; F996-L1104 HydrophobicContact CD1-CB 4.03Å; F996-L1104 HydrophobicContact CD1-CD1 3.57Å; F996-L1104 HydrophobicContact CD1-CG 4.34Å; F996-L1104 HydrophobicContact CE1-CB 3.7Å; F996-L1104 HydrophobicContact CE1-CD1 4.16Å; F996-L1104 HydrophobicContact CE1-CG 4.5Å; F996-L1104 HydrophobicContact CG-CD1 3.97Å; F996-L1104 HydrophobicContact CZ-CB 4.1Å; F996-F1107 HydrophobicContact CD1-CD2 4.4Å; F996-F1107 HydrophobicContact CE1-CD2 4.1Å; F996-F1107 HydrophobicContact CE1-CE2 4.38Å |
| 997 | T | 91.6 | Very high | 82.9 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | 170.8 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | L993 C994 F995 L1001 Y1108 | L993-T997 VanDerWaalsContact O-CB 3.26Å; L993-T997 WeakPolarHBondContact O-CB 3.5Å; L993-T997 PolarHBondContact O-N 2.82Å; L993-T997 PolarHBondContact O-OG1 3.49Å; C994-T997 PolarHBondContact O-N 2.89Å; F995-T997 VanDerWaalsContact C-N 3.34Å; T997-L1001 HydrophobicContact CG2-CD1 3.8Å; T997-L1001 HydrophobicContact CG2-CG 4.48Å; T997-L1001 WeakPolarHBondContact O-CB 3.48Å; T997-L1001 VanDerWaalsContact O-CG 3.29Å; T997-L1001 WeakPolarHBondContact O-CG 3.46Å; T997-L1001 PolarHBondContact O-N 3.5Å; T997-L1001 VanDerWaalsContact O-N 3.08Å; T997-Y1108 PolarHBondContact OG1-OH 3.48Å |
| 998 | Y | 89.6 | Confident | 81.1 | Confident | 105 Ų | 105 | 59.6 Ų | 59.6 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 176.6 | 170.7 | -94.6 | 0 | 0 | 0 | 112.5 | C994 F995 L1001 F1002 T1003 Q1014 | C994-Y998 WeakPolarHBondContact O-CB 3.21Å; C994-Y998 PolarHBondContact O-N 3.3Å; F995-Y998 WeakPolarHBondContact O-CB 3.25Å; F995-Y998 PolarHBondContact O-N 3.49Å; Y998-L1001 PolarHBondContact O-N 3.4Å; Y998-F1002 HydrophobicContact CD2-CB 4.48Å; Y998-F1002 AromaticContact CD2-CD2 3.43Å; Y998-F1002 HydrophobicContact CD2-CD2 3.43Å; Y998-F1002 VanDerWaalsContact CD2-CD2 3.43Å; Y998-F1002 HydrophobicContact CD2-CE2 4.02Å; Y998-F1002 HydrophobicContact CD2-CG 4.29Å; Y998-F1002 HydrophobicContact CE2-CB 4.2Å; Y998-F1002 AromaticContact CE2-CD2 3.77Å; Y998-F1002 HydrophobicContact CE2-CD2 3.77Å; Y998-F1002 HydrophobicContact CE2-CE2 4.5Å; Y998-F1002 HydrophobicContact CE2-CG 4.21Å; Y998-F1002 HydrophobicContact CG-CD2 4.2Å; Y998-F1002 WeakPolarHBondContact O-CB 3.37Å; Y998-F1002 WeakPolarHBondContact O-CD2 3.49Å; Y998-F1002 PolarHBondContact O-N 3.23Å; Y998-T1003 HydrophobicContact CD1-CG2 4.35Å; Y998-T1003 HydrophobicContact CE1-CG2 3.82Å; Y998-Q1014 PolarHBondContact OH-NE2 3.38Å |
| 999 | V | 86 | Confident | 79.4 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 177.4 | 166 | 0 | 0 | 0 | 0 | 110.9 | F995 F996 L1001 T1003 V1004 Q1014 L1018 | F995-V999 HydrophobicContact CD1-CG2 4.2Å; F995-V999 HydrophobicContact CE1-CG2 3.75Å; F995-V999 HydrophobicContact CE2-CG2 4.14Å; F995-V999 HydrophobicContact CZ-CG2 3.7Å; F995-V999 WeakPolarHBondContact O-CG2 3.49Å; F995-V999 PolarHBondContact O-N 3.04Å; F996-V999 PolarHBondContact O-N 2.88Å; V999-L1001 VanDerWaalsContact C-N 3.31Å; V999-L1001 PolarHBondContact O-N 3.33Å; V999-T1003 WeakPolarHBondContact CA-OG1 3.49Å; V999-T1003 WeakPolarHBondContact CG1-OG1 3.43Å; V999-T1003 PolarHBondContact O-N 3.29Å; V999-T1003 PolarHBondContact O-OG1 3.16Å; V999-V1004 HydrophobicContact CG1-CG2 4.37Å; V999-V1004 WeakPolarHBondContact O-CG2 3.48Å; V999-V1004 PolarHBondContact O-N 2.92Å; V999-Q1014 HydrophobicContact CG2-CB 4.28Å; V999-L1018 HydrophobicContact CB-CD2 4.27Å; V999-L1018 HydrophobicContact CG1-CD2 3.68Å |
| 1000 | L | 84.9 | Confident | 77.9 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.5 | -31.5 | -178.3 | -175.5 | 61.7 | 0 | 0 | 0 | 113.9 | F996 R1097 L1104 | F996-L1000 VanDerWaalsContact O-CB 3.3Å; F996-L1000 WeakPolarHBondContact O-CB 3.43Å; F996-L1000 PolarHBondContact O-N 2.95Å; L1000-R1097 HydrophobicContact CD1-CG 3.96Å; L1000-R1097 PolarHBondContact O-NH2 3.2Å; L1000-R1097 VanDerWaalsContact O-NH2 3.08Å; L1000-L1104 HydrophobicContact CD2-CD2 3.78Å |
| 1001 | L | 85.2 | Confident | 76.3 | Confident | 100 Ų | 100 | 68.5 Ų | 68.5 | 52% | 0.524 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -86.2 | -38.3 | -179.5 | -70.8 | 176.2 | 0 | 0 | 0 | 113.6 | T997 Y998 V999 | T997-L1001 HydrophobicContact CG2-CD1 3.8Å; T997-L1001 HydrophobicContact CG2-CG 4.48Å; T997-L1001 WeakPolarHBondContact O-CB 3.48Å; T997-L1001 VanDerWaalsContact O-CG 3.29Å; T997-L1001 WeakPolarHBondContact O-CG 3.46Å; T997-L1001 PolarHBondContact O-N 3.5Å; T997-L1001 VanDerWaalsContact O-N 3.08Å; Y998-L1001 PolarHBondContact O-N 3.4Å; V999-L1001 VanDerWaalsContact C-N 3.31Å; V999-L1001 PolarHBondContact O-N 3.33Å |
| 1002 | F | 81.4 | Confident | 75.3 | Confident | 140 Ų | 140 | 68.2 Ų | 68.2 | 61% | 0.614 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -118.4 | -11.3 | -166.7 | -61.2 | -73.3 | 0 | 0 | 0 | 115.7 | Y998 | Y998-F1002 HydrophobicContact CD2-CB 4.48Å; Y998-F1002 AromaticContact CD2-CD2 3.43Å; Y998-F1002 HydrophobicContact CD2-CD2 3.43Å; Y998-F1002 VanDerWaalsContact CD2-CD2 3.43Å; Y998-F1002 HydrophobicContact CD2-CE2 4.02Å; Y998-F1002 HydrophobicContact CD2-CG 4.29Å; Y998-F1002 HydrophobicContact CE2-CB 4.2Å; Y998-F1002 AromaticContact CE2-CD2 3.77Å; Y998-F1002 HydrophobicContact CE2-CD2 3.77Å; Y998-F1002 HydrophobicContact CE2-CE2 4.5Å; Y998-F1002 HydrophobicContact CE2-CG 4.21Å; Y998-F1002 HydrophobicContact CG-CD2 4.2Å; Y998-F1002 WeakPolarHBondContact O-CB 3.37Å; Y998-F1002 WeakPolarHBondContact O-CD2 3.49Å; Y998-F1002 PolarHBondContact O-N 3.23Å |
| 1003 | T | 72.4 | Confident | 74.7 | Confident | 25 Ų | 25 | 75.9 Ų | 75.9 | 15% | 0.153 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | -0.8 | -168.8 | 83.1 | 0 | 0 | 0 | 0 | 114.6 | Y998 V999 D1005 | Y998-T1003 HydrophobicContact CD1-CG2 4.35Å; Y998-T1003 HydrophobicContact CE1-CG2 3.82Å; V999-T1003 WeakPolarHBondContact CA-OG1 3.49Å; V999-T1003 WeakPolarHBondContact CG1-OG1 3.43Å; V999-T1003 PolarHBondContact O-N 3.29Å; V999-T1003 PolarHBondContact O-OG1 3.16Å; T1003-D1005 VanDerWaalsContact C-N 3.35Å |
| 1004 | V | 65.3 | Low | 74.3 | Confident | 19 Ų | 19 | 78.5 Ų | 78.5 | 12% | 0.115 | 40% | 0.395 | C | S | . | . | trans | -92 | 2.4 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | V999 R1097 | V999-V1004 HydrophobicContact CG1-CG2 4.37Å; V999-V1004 WeakPolarHBondContact O-CG2 3.48Å; V999-V1004 PolarHBondContact O-N 2.92Å; V1004-R1097 HydrophobicContact CG1-CG 4.26Å | ||
| 1005 | D | 60.7 | Low | 73.8 | Confident | 90 Ų | 90 | 75.4 Ų | 75.4 | 48% | 0.481 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -76.9 | 128.9 | 178.5 | -62.1 | -30.6 | 0 | 0 | 0 | 111.8 | T1003 R1097 | T1003-D1005 VanDerWaalsContact C-N 3.35Å; D1005-R1097 IonicContact OD1-CZ 3.8Å; D1005-R1097 IonicContact OD1-NH1 3.07Å; D1005-R1097 PolarHBondContact OD1-NH1 3.47Å; D1005-R1097 VanDerWaalsContact OD1-NH1 3.07Å; D1005-R1097 IonicContact OD1-NH2 3.68Å |
| 1006 | L | 54.6 | Low | 73.3 | Confident | 124 Ų | 124 | 77.2 Ų | 77.2 | 65% | 0.649 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 18.3 | 125.1 | 169.2 | -90.5 | 63.4 | 0 | 0 | 0 | 120.3 | L1008 | L1006-L1008 VanDerWaalsContact C-N 3.27Å; L1006-L1008 PolarHBondContact O-N 3.06Å |
| 1007 | L | 55.5 | Low | 73.2 | Confident | 172 Ų | 172 | 79.7 Ų | 79.7 | 90% | 0.901 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | -4.3 | 150 | -79.1 | 143.6 | 0 | 0 | 0 | 119.5 | ||
| 1008 | L | 52.1 | Low | 73 | Confident | 150 Ų | 150 | 78.3 Ų | 78.3 | 79% | 0.785 | 39% | 0.389 | S | S | * | . | trans | -78.5 | 136.4 | 170.3 | -80.2 | 157.1 | 0 | 0 | 0 | 111.3 | L1006 | L1006-L1008 VanDerWaalsContact C-N 3.27Å; L1006-L1008 PolarHBondContact O-N 3.06Å | ||
| 1009 | P | 54.8 | Low | 73 | Confident | 73 Ų | 73 | 75.5 Ų | 75.5 | 47% | 0.474 | 38% | 0.378 | S | S | . | . | trans | -68.5 | 154.6 | -164.8 | 27.1 | -35.7 | 0 | 0 | 0 | 113.2 | Y1011 S1012 | P1009-Y1011 HydrophobicContact CB-CD2 3.91Å; P1009-Y1011 HydrophobicContact CB-CE2 4.48Å; P1009-Y1011 PolarHBondContact O-N 3.02Å; P1009-S1012 PolarHBondContact O-N 3.33Å | ||
| 1010 | V | 57.8 | Low | 73.1 | Confident | 35 Ų | 35 | 79.4 Ų | 79.4 | 21% | 0.212 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -40.9 | -31.3 | 176.6 | -171.8 | 0 | 0 | 0 | 0 | 113.8 | S1012 Y1019 L1070 | V1010-S1012 PolarHBondContact O-N 2.95Å; V1010-S1012 VanDerWaalsContact O-N 3.13Å; V1010-Y1019 HydrophobicContact CG1-CE2 4.38Å; V1010-L1070 HydrophobicContact CG2-CD1 3.21Å; V1010-L1070 HydrophobicContact CG2-CD2 4.1Å; V1010-L1070 HydrophobicContact CG2-CG 4.29Å |
| 1011 | Y | 58.8 | Low | 73.4 | Confident | 186 Ų | 186 | 79.6 Ų | 79.6 | 73% | 0.729 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 6.7 | -177.8 | -45.4 | -60 | 0 | 0 | 0 | 115.2 | P1009 F1013 | P1009-Y1011 HydrophobicContact CB-CD2 3.91Å; P1009-Y1011 HydrophobicContact CB-CE2 4.48Å; P1009-Y1011 PolarHBondContact O-N 3.02Å; Y1011-F1013 PolarHBondContact O-N 2.97Å |
| 1012 | S | 71.3 | Confident | 73.7 | Confident | 37 Ų | 37 | 75 Ų | 75 | 26% | 0.259 | 37% | 0.373 | S | S | . | . | trans | -53.8 | 123.6 | 166.5 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | P1009 V1010 Q1014 N1015 I1016 | P1009-S1012 PolarHBondContact O-N 3.33Å; V1010-S1012 PolarHBondContact O-N 2.95Å; V1010-S1012 VanDerWaalsContact O-N 3.13Å; S1012-Q1014 PolarHBondContact O-N 3.42Å; S1012-Q1014 PolarHBondContact OG-N 2.88Å; S1012-N1015 PolarHBondContact O-N 2.77Å; S1012-I1016 PolarHBondContact O-N 2.8Å | ||
| 1013 | F | 79.8 | Confident | 74 | Confident | 161 Ų | 161 | 72.4 Ų | 72.4 | 71% | 0.706 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -52.1 | -32.3 | 178.6 | 176 | -101.2 | 0 | 0 | 0 | 112.5 | Y1011 L1017 | Y1011-F1013 PolarHBondContact O-N 2.97Å; F1013-L1017 HydrophobicContact CE1-CD2 4.47Å; F1013-L1017 WeakPolarHBondContact O-CB 3.32Å; F1013-L1017 PolarHBondContact O-N 3.5Å |
| 1014 | Q | 84 | Confident | 74.9 | Confident | 58 Ų | 58 | 71.2 Ų | 71.2 | 27% | 0.271 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 179 | -65.5 | 160.3 | -29.9 | 0 | 0 | 112 | F995 Y998 V999 S1012 L1017 L1018 | F995-Q1014 WeakPolarHBondContact CE1-O 3.22Å; F995-Q1014 HydrophobicContact CZ-CB 4.2Å; F995-Q1014 WeakPolarHBondContact CZ-O 3.38Å; Y998-Q1014 PolarHBondContact OH-NE2 3.38Å; V999-Q1014 HydrophobicContact CG2-CB 4.28Å; S1012-Q1014 PolarHBondContact O-N 3.42Å; S1012-Q1014 PolarHBondContact OG-N 2.88Å; Q1014-L1017 PolarHBondContact O-N 3.32Å; Q1014-L1018 PolarHBondContact O-N 2.69Å |
| 1015 | N | 80.1 | Confident | 76 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 6% | 0.059 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68 | -43.6 | 176.8 | -71 | -20.1 | 0 | 0 | 0 | 111 | S1012 L1017 L1018 Y1019 | S1012-N1015 PolarHBondContact O-N 2.77Å; N1015-L1017 VanDerWaalsContact C-N 3.29Å; N1015-L1017 PolarHBondContact O-N 3.24Å; N1015-L1018 PolarHBondContact O-N 2.96Å; N1015-L1018 VanDerWaalsContact O-N 3.15Å; N1015-Y1019 HydrophobicContact CB-CE2 4.02Å; N1015-Y1019 VanDerWaalsContact O-CD2 3.25Å; N1015-Y1019 WeakPolarHBondContact O-CD2 3.29Å; N1015-Y1019 PolarHBondContact O-N 2.62Å |
| 1016 | I | 83.2 | Confident | 77.3 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 40% | 0.4 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.1 | -44.3 | 174.3 | -63.4 | 172.2 | 0 | 0 | 0 | 110.7 | S1012 L1018 Y1019 M1020 | S1012-I1016 PolarHBondContact O-N 2.8Å; I1016-L1018 PolarHBondContact O-N 3.37Å; I1016-Y1019 PolarHBondContact O-N 3.5Å; I1016-M1020 HydrophobicContact CG2-CG 4.4Å; I1016-M1020 WeakPolarHBondContact O-CB 3.29Å; I1016-M1020 VanDerWaalsContact O-CG 3.25Å; I1016-M1020 WeakPolarHBondContact O-CG 3.24Å; I1016-M1020 PolarHBondContact O-N 2.9Å |
| 1017 | L | 87.7 | Confident | 78.7 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 178 | -175.5 | 60.2 | 0 | 0 | 0 | 112.4 | F995 F1013 Q1014 N1015 W1021 | F995-L1017 HydrophobicContact CE1-CB 4.08Å; F995-L1017 HydrophobicContact CE1-CD2 4.11Å; F995-L1017 HydrophobicContact CE1-CG 4.02Å; F995-L1017 HydrophobicContact CE2-CD2 4.14Å; F995-L1017 HydrophobicContact CZ-CB 4.04Å; F995-L1017 HydrophobicContact CZ-CD2 3.75Å; F995-L1017 HydrophobicContact CZ-CG 4.09Å; F1013-L1017 HydrophobicContact CE1-CD2 4.47Å; F1013-L1017 WeakPolarHBondContact O-CB 3.32Å; F1013-L1017 PolarHBondContact O-N 3.5Å; Q1014-L1017 PolarHBondContact O-N 3.32Å; N1015-L1017 VanDerWaalsContact C-N 3.29Å; N1015-L1017 PolarHBondContact O-N 3.24Å; L1017-W1021 PolarHBondContact O-N 3.49Å; L1017-W1021 VanDerWaalsContact O-N 3.11Å |
| 1018 | L | 88.8 | Confident | 80 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 175 | -179.1 | 61.6 | 0 | 0 | 0 | 111.5 | F992 F995 F996 V999 Q1014 N1015 I1016 M1020 W1021 V1022 F1059 | F992-L1018 HydrophobicContact CD2-CD1 4.38Å; F992-L1018 HydrophobicContact CE2-CD1 3.82Å; F995-L1018 HydrophobicContact CE1-CB 3.99Å; F996-L1018 HydrophobicContact CB-CD1 3.83Å; F996-L1018 HydrophobicContact CD2-CD1 3.91Å; F996-L1018 HydrophobicContact CD2-CD2 3.54Å; F996-L1018 HydrophobicContact CD2-CG 4.39Å; F996-L1018 HydrophobicContact CE2-CD2 3.89Å; F996-L1018 HydrophobicContact CG-CD1 3.86Å; F996-L1018 HydrophobicContact CG-CD2 4.34Å; V999-L1018 HydrophobicContact CB-CD2 4.27Å; V999-L1018 HydrophobicContact CG1-CD2 3.68Å; Q1014-L1018 PolarHBondContact O-N 2.69Å; N1015-L1018 PolarHBondContact O-N 2.96Å; N1015-L1018 VanDerWaalsContact O-N 3.15Å; I1016-L1018 PolarHBondContact O-N 3.37Å; L1018-M1020 VanDerWaalsContact C-N 3.34Å; L1018-M1020 PolarHBondContact O-N 3.38Å; L1018-W1021 WeakPolarHBondContact O-CA 3.49Å; L1018-W1021 WeakPolarHBondContact O-CB 3.43Å; L1018-W1021 PolarHBondContact O-N 2.75Å; L1018-V1022 PolarHBondContact O-N 3.28Å; L1018-F1059 HydrophobicContact CD2-CE2 3.99Å; L1018-F1059 HydrophobicContact CD2-CZ 4.07Å; L1018-F1059 HydrophobicContact CG-CE2 4.19Å; L1018-F1059 HydrophobicContact CG-CZ 4.02Å |
| 1019 | Y | 88.1 | Confident | 81.4 | Confident | 46 Ų | 46 | 50 Ų | 50 | 18% | 0.18 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -43.4 | 176.9 | -58.9 | -29.4 | 0 | 0 | 0 | 111.3 | V1010 N1015 I1016 W1021 V1022 I1023 F1059 T1063 Q1066 | V1010-Y1019 HydrophobicContact CG1-CE2 4.38Å; N1015-Y1019 HydrophobicContact CB-CE2 4.02Å; N1015-Y1019 VanDerWaalsContact O-CD2 3.25Å; N1015-Y1019 WeakPolarHBondContact O-CD2 3.29Å; N1015-Y1019 PolarHBondContact O-N 2.62Å; I1016-Y1019 PolarHBondContact O-N 3.5Å; Y1019-W1021 PolarHBondContact O-N 3.06Å; Y1019-V1022 PolarHBondContact O-N 3.05Å; Y1019-I1023 WeakPolarHBondContact O-CB 3.26Å; Y1019-I1023 WeakPolarHBondContact O-CD1 3.44Å; Y1019-I1023 WeakPolarHBondContact O-CG1 3.37Å; Y1019-I1023 PolarHBondContact O-N 3.27Å; Y1019-F1059 AromaticContact CD1-CE1 3.89Å; Y1019-F1059 HydrophobicContact CD1-CE1 3.89Å; Y1019-F1059 AromaticContact CD1-CZ 3.83Å; Y1019-F1059 HydrophobicContact CD1-CZ 3.83Å; Y1019-F1059 HydrophobicContact CE1-CE1 4.25Å; Y1019-F1059 HydrophobicContact CE1-CZ 4.04Å; Y1019-T1063 HydrophobicContact CD1-CG2 4.15Å; Y1019-T1063 HydrophobicContact CE1-CG2 3.68Å; Y1019-Q1066 PolarHBondContact OH-OE1 3.26Å |
| 1020 | M | 88.3 | Confident | 82.6 | Confident | 85 Ų | 85 | 51 Ų | 51 | 42% | 0.419 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.8 | -34 | 173.4 | -74.7 | -64.5 | -67.7 | 0 | 0 | 112.6 | I1016 L1018 S1024 I1280 | I1016-M1020 HydrophobicContact CG2-CG 4.4Å; I1016-M1020 WeakPolarHBondContact O-CB 3.29Å; I1016-M1020 VanDerWaalsContact O-CG 3.25Å; I1016-M1020 WeakPolarHBondContact O-CG 3.24Å; I1016-M1020 PolarHBondContact O-N 2.9Å; L1018-M1020 VanDerWaalsContact C-N 3.34Å; L1018-M1020 PolarHBondContact O-N 3.38Å; M1020-S1024 WeakPolarHBondContact O-CB 3.29Å; M1020-S1024 PolarHBondContact O-N 3.35Å; M1020-I1280 HydrophobicContact CE-CD1 3.95Å |
| 1021 | W | 91.8 | Very high | 83.6 | Confident | 23 Ų | 23 | 50.8 Ų | 50.8 | 9% | 0.087 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.6 | -41.7 | 175.5 | -137.8 | -45 | 0 | 0 | 0 | 113.1 | S988 A991 F992 F995 L1017 L1018 Y1019 S1024 F1025 P1277 | S988-W1021 WeakPolarHBondContact O-CZ2 3.39Å; A991-W1021 HydrophobicContact CB-CH2 3.94Å; A991-W1021 HydrophobicContact CB-CZ2 4.43Å; F992-W1021 HydrophobicContact CB-CD2 4.04Å; F992-W1021 HydrophobicContact CB-CG 4.45Å; F992-W1021 HydrophobicContact CB-CH2 4.41Å; F992-W1021 HydrophobicContact CB-CZ2 3.86Å; F992-W1021 HydrophobicContact CD2-CB 4.03Å; F992-W1021 AromaticContact CD2-CD1 3.85Å; F992-W1021 AromaticContact CD2-CD2 3.92Å; F992-W1021 HydrophobicContact CD2-CD2 3.92Å; F992-W1021 HydrophobicContact CD2-CE3 4.48Å; F992-W1021 AromaticContact CD2-CG 3.67Å; F992-W1021 HydrophobicContact CD2-CG 3.67Å; F992-W1021 HydrophobicContact CE2-CB 4.37Å; F992-W1021 HydrophobicContact CE2-CG 4.44Å; F992-W1021 HydrophobicContact CG-CD2 4.45Å; F992-W1021 HydrophobicContact CG-CG 4.42Å; F995-W1021 HydrophobicContact CB-CZ3 4.46Å; F995-W1021 HydrophobicContact CD1-CE3 4.33Å; F995-W1021 HydrophobicContact CD1-CZ3 4.42Å; L1017-W1021 PolarHBondContact O-N 3.49Å; L1017-W1021 VanDerWaalsContact O-N 3.11Å; L1018-W1021 WeakPolarHBondContact O-CA 3.49Å; L1018-W1021 WeakPolarHBondContact O-CB 3.43Å; L1018-W1021 PolarHBondContact O-N 2.75Å; Y1019-W1021 PolarHBondContact O-N 3.06Å; W1021-S1024 VanDerWaalsContact O-CB 3.3Å; W1021-S1024 WeakPolarHBondContact O-CB 3.41Å; W1021-S1024 PolarHBondContact O-N 3.35Å; W1021-F1025 AromaticContact CD1-CE2 3.72Å; W1021-F1025 AromaticContact CD1-CZ 3.76Å; W1021-F1025 AromaticContact NE1-CZ 3.94Å; W1021-F1025 WeakPolarHBondContact O-CD2 3.38Å; W1021-F1025 PolarHBondContact O-N 3.2Å; W1021-F1025 VanDerWaalsContact O-N 3.12Å; W1021-P1277 HydrophobicContact CB-CB 4.31Å; W1021-P1277 HydrophobicContact CD2-CB 4.27Å; W1021-P1277 HydrophobicContact CD2-CG 4.3Å; W1021-P1277 HydrophobicContact CE3-CG 4.48Å; W1021-P1277 HydrophobicContact CG-CB 4.06Å |
| 1022 | V | 90.4 | Very high | 84.2 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.2 | -39.5 | 177.2 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | F992 L1018 Y1019 S1024 F1025 I1026 F1059 | F992-V1022 HydrophobicContact CE2-CG2 4.19Å; L1018-V1022 PolarHBondContact O-N 3.28Å; Y1019-V1022 PolarHBondContact O-N 3.05Å; V1022-S1024 PolarHBondContact O-N 2.78Å; V1022-F1025 PolarHBondContact O-N 3.28Å; V1022-F1025 VanDerWaalsContact O-N 3.07Å; V1022-I1026 HydrophobicContact CG1-CD1 4.12Å; V1022-I1026 WeakPolarHBondContact O-CG1 3.46Å; V1022-I1026 PolarHBondContact O-N 2.91Å; V1022-F1059 HydrophobicContact CB-CD1 4.11Å; V1022-F1059 HydrophobicContact CB-CE1 3.98Å; V1022-F1059 HydrophobicContact CB-CZ 4.42Å; V1022-F1059 HydrophobicContact CG1-CD1 3.7Å; V1022-F1059 HydrophobicContact CG1-CE1 4.08Å; V1022-F1059 HydrophobicContact CG1-CG 4.14Å; V1022-F1059 HydrophobicContact CG2-CD1 4.01Å; V1022-F1059 HydrophobicContact CG2-CD2 4.13Å; V1022-F1059 HydrophobicContact CG2-CE1 3.79Å; V1022-F1059 HydrophobicContact CG2-CE2 3.93Å; V1022-F1059 HydrophobicContact CG2-CG 4.17Å; V1022-F1059 HydrophobicContact CG2-CZ 3.76Å |
| 1023 | I | 89.6 | Confident | 84.2 | Confident | 85 Ų | 85 | 44.2 Ų | 44.2 | 44% | 0.436 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.5 | -39.2 | 170.7 | -68.4 | 164.7 | 0 | 0 | 0 | 110.7 | Y1019 F1025 I1026 A1027 I1280 | Y1019-I1023 WeakPolarHBondContact O-CB 3.26Å; Y1019-I1023 WeakPolarHBondContact O-CD1 3.44Å; Y1019-I1023 WeakPolarHBondContact O-CG1 3.37Å; Y1019-I1023 PolarHBondContact O-N 3.27Å; I1023-F1025 VanDerWaalsContact C-N 3.34Å; I1023-F1025 PolarHBondContact O-N 2.87Å; I1023-I1026 PolarHBondContact O-N 3.28Å; I1023-A1027 WeakPolarHBondContact O-CB 3.5Å; I1023-A1027 PolarHBondContact O-N 3.5Å; I1023-I1280 HydrophobicContact CG2-CD1 4.03Å |
| 1024 | S | 90 | Very high | 83.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -33.9 | 174.4 | 170.2 | 0 | 0 | 0 | 0 | 113.5 | M1020 W1021 V1022 E1028 P1276 P1277 N1279 | M1020-S1024 WeakPolarHBondContact O-CB 3.29Å; M1020-S1024 PolarHBondContact O-N 3.35Å; W1021-S1024 VanDerWaalsContact O-CB 3.3Å; W1021-S1024 WeakPolarHBondContact O-CB 3.41Å; W1021-S1024 PolarHBondContact O-N 3.35Å; V1022-S1024 PolarHBondContact O-N 2.78Å; S1024-E1028 PolarHBondContact O-N 3.1Å; S1024-P1276 WeakPolarHBondContact OG-CA 3.23Å; S1024-P1276 VanDerWaalsContact OG-CB 3.29Å; S1024-P1276 WeakPolarHBondContact OG-CB 3.31Å; S1024-P1277 WeakPolarHBondContact OG-CA 3.43Å; S1024-P1277 PolarHBondContact OG-O 2.91Å; S1024-N1279 WeakPolarHBondContact CB-OD1 3.27Å; S1024-N1279 PolarHBondContact O-ND2 3.28Å; S1024-N1279 PolarHBondContact OG-ND2 3.03Å; S1024-N1279 PolarHBondContact OG-OD1 3.41Å |
| 1025 | F | 88.3 | Confident | 82.7 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.6 | -42.5 | 170.2 | -65 | -50.1 | 0 | 0 | 0 | 112.6 | Y989 F992 W1021 V1022 I1023 A1027 E1028 H1029 I1056 P1276 | Y989-F1025 HydrophobicContact CD2-CE1 4.33Å; Y989-F1025 AromaticContact CD2-CZ 3.88Å; Y989-F1025 HydrophobicContact CD2-CZ 3.88Å; Y989-F1025 HydrophobicContact CE2-CZ 4.07Å; F992-F1025 AromaticContact CD1-CE2 3.86Å; F992-F1025 HydrophobicContact CD1-CE2 3.86Å; F992-F1025 HydrophobicContact CD1-CZ 4.15Å; F992-F1025 AromaticContact CD2-CE2 3.86Å; F992-F1025 HydrophobicContact CD2-CE2 3.86Å; F992-F1025 HydrophobicContact CD2-CZ 4.49Å; F992-F1025 AromaticContact CE1-CE2 3.88Å; F992-F1025 HydrophobicContact CE1-CE2 3.88Å; F992-F1025 AromaticContact CE2-CE2 3.87Å; F992-F1025 HydrophobicContact CE2-CE2 3.87Å; F992-F1025 AromaticContact CG-CE2 3.86Å; F992-F1025 HydrophobicContact CG-CE2 3.86Å; F992-F1025 HydrophobicContact CG-CZ 4.12Å; F992-F1025 AromaticContact CZ-CE2 3.88Å; F992-F1025 HydrophobicContact CZ-CE2 3.88Å; W1021-F1025 AromaticContact CD1-CE2 3.72Å; W1021-F1025 AromaticContact CD1-CZ 3.76Å; W1021-F1025 AromaticContact NE1-CZ 3.94Å; W1021-F1025 WeakPolarHBondContact O-CD2 3.38Å; W1021-F1025 PolarHBondContact O-N 3.2Å; W1021-F1025 VanDerWaalsContact O-N 3.12Å; V1022-F1025 PolarHBondContact O-N 3.28Å; V1022-F1025 VanDerWaalsContact O-N 3.07Å; I1023-F1025 VanDerWaalsContact C-N 3.34Å; I1023-F1025 PolarHBondContact O-N 2.87Å; F1025-A1027 VanDerWaalsContact C-N 3.28Å; F1025-A1027 PolarHBondContact O-N 3.39Å; F1025-E1028 WeakPolarHBondContact O-CB 3.24Å; F1025-E1028 PolarHBondContact O-N 3.25Å; F1025-H1029 PolarHBondContact O-CD2 3.2Å; F1025-H1029 PolarHBondContact O-N 3.28Å; F1025-I1056 HydrophobicContact CB-CD1 4.18Å; F1025-P1276 HydrophobicContact CD1-CB 4.46Å; F1025-P1276 HydrophobicContact CD1-CG 4.16Å; F1025-P1276 HydrophobicContact CE1-CB 3.97Å; F1025-P1276 HydrophobicContact CE1-CG 3.79Å; F1025-P1276 HydrophobicContact CZ-CB 4.39Å |
| 1026 | I | 88 | Confident | 81.6 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.2 | -45.4 | 174.8 | -69 | 164 | 0 | 0 | 0 | 110.2 | V1022 I1023 E1028 H1029 I1030 I1056 I1060 | V1022-I1026 HydrophobicContact CG1-CD1 4.12Å; V1022-I1026 WeakPolarHBondContact O-CG1 3.46Å; V1022-I1026 PolarHBondContact O-N 2.91Å; I1023-I1026 PolarHBondContact O-N 3.28Å; I1026-E1028 VanDerWaalsContact C-N 3.32Å; I1026-E1028 PolarHBondContact O-N 3.03Å; I1026-H1029 PolarHBondContact O-N 3.13Å; I1026-H1029 VanDerWaalsContact O-N 3.16Å; I1026-I1030 HydrophobicContact CG2-CD1 3.67Å; I1026-I1030 HydrophobicContact CG2-CG1 4.3Å; I1026-I1030 WeakPolarHBondContact O-CG1 3.2Å; I1026-I1030 PolarHBondContact O-N 3.15Å; I1026-I1056 HydrophobicContact CD1-CG2 3.99Å; I1026-I1056 HydrophobicContact CG1-CD1 4.42Å; I1026-I1056 HydrophobicContact CG1-CG2 3.61Å; I1026-I1060 HydrophobicContact CD1-CD1 4.11Å |
| 1027 | A | 85.3 | Confident | 80.4 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1023 F1025 R1031 Y1283 | I1023-A1027 WeakPolarHBondContact O-CB 3.5Å; I1023-A1027 PolarHBondContact O-N 3.5Å; F1025-A1027 VanDerWaalsContact C-N 3.28Å; F1025-A1027 PolarHBondContact O-N 3.39Å; A1027-R1031 VanDerWaalsContact O-CB 3.3Å; A1027-R1031 WeakPolarHBondContact O-CB 3.28Å; A1027-R1031 PolarHBondContact O-N 3.29Å; A1027-Y1283 HydrophobicContact CB-CD2 3.95Å; A1027-Y1283 HydrophobicContact CB-CE2 4.14Å |
| 1028 | E | 82.7 | Confident | 79.2 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 174.2 | -171.8 | 72.9 | -118.3 | 0 | 0 | 112.3 | S1024 F1025 I1026 R1031 H1032 R1271 S1272 N1279 Y1283 | S1024-E1028 PolarHBondContact O-N 3.1Å; F1025-E1028 WeakPolarHBondContact O-CB 3.24Å; F1025-E1028 PolarHBondContact O-N 3.25Å; I1026-E1028 VanDerWaalsContact C-N 3.32Å; I1026-E1028 PolarHBondContact O-N 3.03Å; E1028-R1031 IonicContact OE1-CZ 3.66Å; E1028-R1031 VanDerWaalsContact OE1-CZ 3.27Å; E1028-R1031 IonicContact OE1-NE 2.67Å; E1028-R1031 PolarHBondContact OE1-NE 2.76Å; E1028-R1031 IonicContact OE1-NH2 3.94Å; E1028-R1031 PolarHBondContact OE1-NH2 3.17Å; E1028-H1032 PolarHBondContact O-N 3.05Å; E1028-H1032 VanDerWaalsContact O-N 3.1Å; E1028-H1032 PolarHBondContact O-ND1 3.12Å; E1028-H1032 IonicContact OE1-CE1 3.89Å; E1028-H1032 PolarHBondContact OE1-CE1 3.13Å; E1028-H1032 IonicContact OE1-ND1 2.92Å; E1028-R1271 IonicContact OE2-NE 3.69Å; E1028-S1272 PolarHBondContact OE2-OG 3.37Å; E1028-N1279 PolarHBondContact OE2-ND2 3.45Å; E1028-Y1283 PolarHBondContact OE1-OH 2.81Å; E1028-Y1283 PolarHBondContact OE2-OH 3.26Å |
| 1029 | H | 81.7 | Confident | 78.1 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 12% | 0.12 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.9 | -44 | 176.5 | -69 | -59.7 | 0 | 0 | 0 | 112.4 | F1025 I1026 R1031 H1032 G1033 Y1043 E1052 I1056 | F1025-H1029 PolarHBondContact O-CD2 3.2Å; F1025-H1029 PolarHBondContact O-N 3.28Å; I1026-H1029 PolarHBondContact O-N 3.13Å; I1026-H1029 VanDerWaalsContact O-N 3.16Å; H1029-R1031 VanDerWaalsContact C-N 3.27Å; H1029-R1031 PolarHBondContact O-N 3.41Å; H1029-H1032 PolarHBondContact O-N 3.41Å; H1029-H1032 VanDerWaalsContact O-N 3.11Å; H1029-G1033 PolarHBondContact O-N 2.71Å; H1029-Y1043 PolarHBondContact CE1-OH 3.45Å; H1029-Y1043 PolarHBondContact ND1-OH 3.39Å; H1029-E1052 IonicContact CE1-OE2 3.07Å; H1029-E1052 PolarHBondContact CE1-OE2 2.81Å; H1029-E1052 IonicContact NE2-OE2 3.4Å; H1029-E1052 PolarHBondContact NE2-OE2 3.49Å; H1029-I1056 WeakPolarHBondContact CD2-CD1 3.18Å; H1029-I1056 WeakPolarHBondContact NE2-CD1 3.27Å |
| 1030 | I | 79.8 | Confident | 77.1 | Confident | 93 Ų | 93 | 57 Ų | 57 | 48% | 0.477 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 173.7 | -67 | 170.7 | 0 | 0 | 0 | 109.9 | I1026 H1032 G1033 M1034 | I1026-I1030 HydrophobicContact CG2-CD1 3.67Å; I1026-I1030 HydrophobicContact CG2-CG1 4.3Å; I1026-I1030 WeakPolarHBondContact O-CG1 3.2Å; I1026-I1030 PolarHBondContact O-N 3.15Å; I1030-H1032 PolarHBondContact O-N 2.94Å; I1030-G1033 PolarHBondContact O-N 2.95Å; I1030-G1033 VanDerWaalsContact O-N 3.16Å; I1030-M1034 HydrophobicContact CG2-CG 4.09Å; I1030-M1034 HydrophobicContact CG2-SD 3.78Å; I1030-M1034 WeakPolarHBondContact O-CB 3.3Å; I1030-M1034 WeakPolarHBondContact O-CG 3.5Å; I1030-M1034 PolarHBondContact O-N 2.84Å |
| 1031 | R | 78.1 | Confident | 76.2 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 173.6 | -171.4 | -163.8 | 65.9 | 68.5 | -4.7 | 112 | A1027 E1028 H1029 G1033 L1035 Y1283 | A1027-R1031 VanDerWaalsContact O-CB 3.3Å; A1027-R1031 WeakPolarHBondContact O-CB 3.28Å; A1027-R1031 PolarHBondContact O-N 3.29Å; E1028-R1031 IonicContact OE1-CZ 3.66Å; E1028-R1031 VanDerWaalsContact OE1-CZ 3.27Å; E1028-R1031 IonicContact OE1-NE 2.67Å; E1028-R1031 PolarHBondContact OE1-NE 2.76Å; E1028-R1031 IonicContact OE1-NH2 3.94Å; E1028-R1031 PolarHBondContact OE1-NH2 3.17Å; H1029-R1031 VanDerWaalsContact C-N 3.27Å; H1029-R1031 PolarHBondContact O-N 3.41Å; R1031-G1033 VanDerWaalsContact C-N 3.33Å; R1031-G1033 PolarHBondContact O-N 3.46Å; R1031-L1035 HydrophobicContact CG-CD1 3.84Å; R1031-L1035 WeakPolarHBondContact O-CB 3.49Å; R1031-L1035 PolarHBondContact O-N 2.9Å; R1031-Y1283 VanDerWaalsContact CD-CE1 3.48Å |
| 1032 | H | 72.2 | Confident | 75.2 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 18% | 0.176 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 176.1 | -77.6 | 102.4 | 0 | 0 | 0 | 112.8 | E1028 H1029 I1030 G1036 Y1043 | E1028-H1032 PolarHBondContact O-N 3.05Å; E1028-H1032 VanDerWaalsContact O-N 3.1Å; E1028-H1032 PolarHBondContact O-ND1 3.12Å; E1028-H1032 IonicContact OE1-CE1 3.89Å; E1028-H1032 PolarHBondContact OE1-CE1 3.13Å; E1028-H1032 IonicContact OE1-ND1 2.92Å; H1029-H1032 PolarHBondContact O-N 3.41Å; H1029-H1032 VanDerWaalsContact O-N 3.11Å; I1030-H1032 PolarHBondContact O-N 2.94Å; H1032-G1036 VanDerWaalsContact O-CA 3.25Å; H1032-G1036 WeakPolarHBondContact O-CA 3.43Å; H1032-G1036 PolarHBondContact O-N 2.97Å; H1032-G1036 VanDerWaalsContact O-N 3.12Å; H1032-Y1043 HydrophobicContact CB-CE2 4.07Å |
| 1033 | G | 70.2 | Confident | 74.2 | Confident | 47 Ų | 47 | 65.3 Ų | 65.3 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.9 | -37.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1029 I1030 R1031 | H1029-G1033 PolarHBondContact O-N 2.71Å; I1030-G1033 PolarHBondContact O-N 2.95Å; I1030-G1033 VanDerWaalsContact O-N 3.16Å; R1031-G1033 VanDerWaalsContact C-N 3.33Å; R1031-G1033 PolarHBondContact O-N 3.46Å |
| 1034 | M | 69.5 | Low | 73.4 | Confident | 159 Ų | 159 | 65 Ų | 65 | 78% | 0.783 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -93 | -31.8 | -175.3 | -63.6 | -167.4 | 81.3 | 0 | 0 | 114.6 | I1030 | I1030-M1034 HydrophobicContact CG2-CG 4.09Å; I1030-M1034 HydrophobicContact CG2-SD 3.78Å; I1030-M1034 WeakPolarHBondContact O-CB 3.3Å; I1030-M1034 WeakPolarHBondContact O-CG 3.5Å; I1030-M1034 PolarHBondContact O-N 2.84Å |
| 1035 | L | 62.5 | Low | 72.6 | Confident | 100 Ų | 100 | 70.1 Ų | 70.1 | 52% | 0.524 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -114.1 | -1.5 | -176.7 | -73.3 | 139.6 | 0 | 0 | 0 | 113.3 | R1031 Y1290 | R1031-L1035 HydrophobicContact CG-CD1 3.84Å; R1031-L1035 WeakPolarHBondContact O-CB 3.49Å; R1031-L1035 PolarHBondContact O-N 2.9Å; L1035-Y1290 HydrophobicContact CD2-CE2 4.36Å |
| 1036 | G | 58.5 | Low | 72.1 | Confident | 37 Ų | 37 | 73.8 Ų | 73.8 | 38% | 0.381 | 39% | 0.389 | S | S | . | . | trans | -81.6 | 139.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H1032 I1038 | H1032-G1036 VanDerWaalsContact O-CA 3.25Å; H1032-G1036 WeakPolarHBondContact O-CA 3.43Å; H1032-G1036 PolarHBondContact O-N 2.97Å; H1032-G1036 VanDerWaalsContact O-N 3.12Å; G1036-I1038 PolarHBondContact O-N 3.01Å | ||
| 1037 | E | 57.2 | Low | 71.8 | Confident | 144 Ų | 144 | 74.5 Ų | 74.5 | 67% | 0.673 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -72.9 | -6.2 | 174.7 | -59.2 | -179.4 | 151.1 | 0 | 0 | 113.3 | ||
| 1038 | I | 63.1 | Low | 71.6 | Confident | 77 Ų | 77 | 75 Ų | 75 | 40% | 0.395 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -100.2 | 124.5 | -174.3 | -57.8 | 175.1 | 0 | 0 | 0 | 108.9 | G1036 I1042 | G1036-I1038 PolarHBondContact O-N 3.01Å; I1038-I1042 HydrophobicContact CG2-CB 3.72Å; I1038-I1042 HydrophobicContact CG2-CG2 3.72Å |
| 1039 | P | 64.9 | Low | 71.6 | Confident | 51 Ų | 51 | 75 Ų | 75 | 33% | 0.331 | 39% | 0.389 | S | S | . | . | trans | -62.2 | 140.9 | 177.2 | 26.8 | -34.7 | 0 | 0 | 0 | 110.7 | K1041 I1042 Y1043 | P1039-K1041 PolarHBondContact O-N 3.06Å; P1039-I1042 HydrophobicContact CG-CB 4.31Å; P1039-I1042 HydrophobicContact CG-CD1 3.76Å; P1039-I1042 HydrophobicContact CG-CG1 3.97Å; P1039-I1042 PolarHBondContact O-N 3.26Å; P1039-Y1043 PolarHBondContact O-N 3.47Å | ||
| 1040 | F | 66.6 | Low | 71.7 | Confident | 113 Ų | 113 | 76.3 Ų | 76.3 | 50% | 0.496 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -52.5 | -30.3 | -175.9 | -165.3 | -115.1 | 0 | 0 | 0 | 113.4 | I1042 Y1043 L1044 I1053 | F1040-I1042 PolarHBondContact O-N 3.45Å; F1040-Y1043 HydrophobicContact CD2-CD1 4.13Å; F1040-Y1043 HydrophobicContact CE2-CD1 4Å; F1040-Y1043 HydrophobicContact CE2-CE1 4.43Å; F1040-Y1043 WeakPolarHBondContact O-CB 3.34Å; F1040-Y1043 PolarHBondContact O-N 3.17Å; F1040-L1044 HydrophobicContact CD1-CD1 3.65Å; F1040-L1044 HydrophobicContact CD1-CG 3.97Å; F1040-L1044 HydrophobicContact CE1-CD1 3.57Å; F1040-L1044 HydrophobicContact CE1-CD2 3.94Å; F1040-L1044 HydrophobicContact CE1-CG 3.8Å; F1040-L1044 HydrophobicContact CG-CG 4.48Å; F1040-L1044 HydrophobicContact CZ-CD1 4.4Å; F1040-L1044 HydrophobicContact CZ-CD2 3.95Å; F1040-L1044 HydrophobicContact CZ-CG 4.16Å; F1040-L1044 WeakPolarHBondContact O-CB 3.15Å; F1040-L1044 WeakPolarHBondContact O-CG 3.39Å; F1040-L1044 PolarHBondContact O-N 2.92Å; F1040-I1053 HydrophobicContact CZ-CD1 4.27Å |
| 1041 | K | 70.8 | Confident | 72 | Confident | 173 Ų | 173 | 74.6 Ų | 74.6 | 75% | 0.752 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -57 | -47.3 | 171.5 | -171.8 | 173.6 | -176.4 | 174.6 | 0 | 113.4 | P1039 Y1043 L1044 T1045 | P1039-K1041 PolarHBondContact O-N 3.06Å; K1041-Y1043 VanDerWaalsContact C-N 3.35Å; K1041-L1044 PolarHBondContact O-N 3.29Å; K1041-T1045 WeakPolarHBondContact O-CG2 3.48Å; K1041-T1045 PolarHBondContact O-N 2.78Å |
| 1042 | I | 70 | Confident | 72.4 | Confident | 90 Ų | 90 | 73.5 Ų | 73.5 | 46% | 0.462 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.9 | -35.9 | 177.7 | -65 | 176.1 | 0 | 0 | 0 | 110.1 | I1038 P1039 F1040 L1044 T1045 | I1038-I1042 HydrophobicContact CG2-CB 3.72Å; I1038-I1042 HydrophobicContact CG2-CG2 3.72Å; P1039-I1042 HydrophobicContact CG-CB 4.31Å; P1039-I1042 HydrophobicContact CG-CD1 3.76Å; P1039-I1042 HydrophobicContact CG-CG1 3.97Å; P1039-I1042 PolarHBondContact O-N 3.26Å; F1040-I1042 PolarHBondContact O-N 3.45Å; I1042-L1044 PolarHBondContact O-N 3.27Å; I1042-T1045 WeakPolarHBondContact CA-OG1 3.35Å; I1042-T1045 PolarHBondContact O-N 3.07Å; I1042-T1045 PolarHBondContact O-OG1 3.14Å |
| 1043 | Y | 69.3 | Low | 73.1 | Confident | 23 Ų | 23 | 73.5 Ų | 73.5 | 9% | 0.09 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 173.8 | -177.1 | -86.4 | 0 | 0 | 0 | 111.6 | H1029 H1032 P1039 F1040 K1041 T1045 K1046 K1049 I1053 | H1029-Y1043 PolarHBondContact CE1-OH 3.45Å; H1029-Y1043 PolarHBondContact ND1-OH 3.39Å; H1032-Y1043 HydrophobicContact CB-CE2 4.07Å; P1039-Y1043 PolarHBondContact O-N 3.47Å; F1040-Y1043 HydrophobicContact CD2-CD1 4.13Å; F1040-Y1043 HydrophobicContact CE2-CD1 4Å; F1040-Y1043 HydrophobicContact CE2-CE1 4.43Å; F1040-Y1043 WeakPolarHBondContact O-CB 3.34Å; F1040-Y1043 PolarHBondContact O-N 3.17Å; K1041-Y1043 VanDerWaalsContact C-N 3.35Å; Y1043-T1045 VanDerWaalsContact C-N 3.33Å; Y1043-T1045 PolarHBondContact O-N 3.28Å; Y1043-K1046 WeakPolarHBondContact O-CB 3.32Å; Y1043-K1046 PolarHBondContact O-N 2.84Å; Y1043-K1046 VanDerWaalsContact O-N 3.12Å; Y1043-K1049 HydrophobicContact CD1-CB 4.3Å; Y1043-K1049 HydrophobicContact CE1-CB 3.66Å; Y1043-K1049 HydrophobicContact CE1-CG 4.3Å; Y1043-K1049 HydrophobicContact CE2-CB 4.23Å; Y1043-K1049 HydrophobicContact CE2-CG 3.94Å; Y1043-I1053 HydrophobicContact CE1-CD1 3.93Å |
| 1044 | L | 72.1 | Confident | 74 | Confident | 77 Ų | 77 | 75.5 Ų | 75.5 | 40% | 0.403 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.1 | -28.7 | 175.5 | -71.9 | 174.1 | 0 | 0 | 0 | 113.8 | F1040 K1041 I1042 K1046 I1053 | F1040-L1044 HydrophobicContact CD1-CD1 3.65Å; F1040-L1044 HydrophobicContact CD1-CG 3.97Å; F1040-L1044 HydrophobicContact CE1-CD1 3.57Å; F1040-L1044 HydrophobicContact CE1-CD2 3.94Å; F1040-L1044 HydrophobicContact CE1-CG 3.8Å; F1040-L1044 HydrophobicContact CG-CG 4.48Å; F1040-L1044 HydrophobicContact CZ-CD1 4.4Å; F1040-L1044 HydrophobicContact CZ-CD2 3.95Å; F1040-L1044 HydrophobicContact CZ-CG 4.16Å; F1040-L1044 WeakPolarHBondContact O-CB 3.15Å; F1040-L1044 WeakPolarHBondContact O-CG 3.39Å; F1040-L1044 PolarHBondContact O-N 2.92Å; K1041-L1044 PolarHBondContact O-N 3.29Å; I1042-L1044 PolarHBondContact O-N 3.27Å; L1044-K1046 PolarHBondContact O-N 3.25Å; L1044-I1053 HydrophobicContact CD2-CD1 4.08Å |
| 1045 | T | 73.1 | Confident | 75.1 | Confident | 108 Ų | 108 | 67.9 Ų | 67.9 | 66% | 0.663 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.2 | 173.1 | 59.4 | 0 | 0 | 0 | 0 | 113.9 | K1041 I1042 Y1043 L1047 | K1041-T1045 WeakPolarHBondContact O-CG2 3.48Å; K1041-T1045 PolarHBondContact O-N 2.78Å; I1042-T1045 WeakPolarHBondContact CA-OG1 3.35Å; I1042-T1045 PolarHBondContact O-N 3.07Å; I1042-T1045 PolarHBondContact O-OG1 3.14Å; Y1043-T1045 VanDerWaalsContact C-N 3.33Å; Y1043-T1045 PolarHBondContact O-N 3.28Å; T1045-L1047 PolarHBondContact O-N 2.77Å |
| 1046 | K | 78.1 | Confident | 76.4 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 35% | 0.352 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -80.1 | 109.6 | 172.8 | -67.5 | -171.4 | 173.1 | -170.4 | 0 | 110.1 | Y1043 L1044 W1048 K1049 C1050 | Y1043-K1046 WeakPolarHBondContact O-CB 3.32Å; Y1043-K1046 PolarHBondContact O-N 2.84Å; Y1043-K1046 VanDerWaalsContact O-N 3.12Å; L1044-K1046 PolarHBondContact O-N 3.25Å; K1046-W1048 VanDerWaalsContact C-N 3.32Å; K1046-W1048 PolarHBondContact O-N 3.3Å; K1046-K1049 HydrophobicContact CB-CB 4.23Å; K1046-K1049 HydrophobicContact CB-CG 4.03Å; K1046-K1049 HydrophobicContact CD-CG 4.23Å; K1046-K1049 PolarHBondContact O-N 3.35Å; K1046-C1050 PolarHBondContact O-N 3.18Å; K1046-C1050 VanDerWaalsContact O-N 3.11Å |
| 1047 | L | 81.1 | Confident | 78 | Confident | 63 Ų | 63 | 66 Ų | 66 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -41.7 | -54 | 179.1 | -174.5 | 67.9 | 0 | 0 | 0 | 113.4 | T1045 K1049 C1050 L1051 Q1129 | T1045-L1047 PolarHBondContact O-N 2.77Å; L1047-K1049 VanDerWaalsContact C-N 3.34Å; L1047-K1049 PolarHBondContact O-N 3.44Å; L1047-C1050 WeakPolarHBondContact O-CB 3.5Å; L1047-C1050 PolarHBondContact O-N 2.84Å; L1047-L1051 PolarHBondContact O-N 2.78Å; L1047-L1051 VanDerWaalsContact O-N 3.1Å; L1047-Q1129 HydrophobicContact CD2-CG 3.93Å |
| 1048 | W | 81.6 | Confident | 79.8 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.4 | -39.9 | -178.9 | -58 | 115.1 | 0 | 0 | 0 | 113.7 | K1046 L1051 E1052 H1109 L1112 E1113 V1125 | K1046-W1048 VanDerWaalsContact C-N 3.32Å; K1046-W1048 PolarHBondContact O-N 3.3Å; W1048-L1051 HydrophobicContact CE3-CD1 4.09Å; W1048-L1051 HydrophobicContact CZ3-CD1 4.25Å; W1048-L1051 PolarHBondContact O-N 2.88Å; W1048-E1052 WeakPolarHBondContact O-CG 3.4Å; W1048-E1052 PolarHBondContact O-N 3.39Å; W1048-H1109 WeakPolarHBondContact CZ3-O 3.31Å; W1048-L1112 HydrophobicContact CH2-CB 3.5Å; W1048-L1112 HydrophobicContact CH2-CD1 3.95Å; W1048-L1112 HydrophobicContact CH2-CG 4.37Å; W1048-L1112 HydrophobicContact CZ2-CB 4.19Å; W1048-L1112 HydrophobicContact CZ3-CB 4.01Å; W1048-E1113 HydrophobicContact CD2-CB 4.24Å; W1048-E1113 HydrophobicContact CG-CB 4.33Å; W1048-E1113 HydrophobicContact CG-CG 4.27Å; W1048-V1125 HydrophobicContact CZ2-CG1 4.01Å |
| 1049 | K | 82.9 | Confident | 81.1 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -76.3 | -26.9 | -178.4 | -55.9 | -42.4 | -172.3 | -157.2 | 0 | 112.4 | Y1043 K1046 L1047 E1052 I1053 E1113 E1267 | Y1043-K1049 HydrophobicContact CD1-CB 4.3Å; Y1043-K1049 HydrophobicContact CE1-CB 3.66Å; Y1043-K1049 HydrophobicContact CE1-CG 4.3Å; Y1043-K1049 HydrophobicContact CE2-CB 4.23Å; Y1043-K1049 HydrophobicContact CE2-CG 3.94Å; K1046-K1049 HydrophobicContact CB-CB 4.23Å; K1046-K1049 HydrophobicContact CB-CG 4.03Å; K1046-K1049 HydrophobicContact CD-CG 4.23Å; K1046-K1049 PolarHBondContact O-N 3.35Å; L1047-K1049 VanDerWaalsContact C-N 3.34Å; L1047-K1049 PolarHBondContact O-N 3.44Å; K1049-E1052 WeakPolarHBondContact CD-OE1 3.32Å; K1049-E1052 IonicContact NZ-OE1 3.98Å; K1049-E1052 PolarHBondContact NZ-OE1 3.49Å; K1049-E1052 VanDerWaalsContact NZ-OE1 3.14Å; K1049-I1053 WeakPolarHBondContact O-CG1 3.5Å; K1049-I1053 PolarHBondContact O-N 3.42Å; K1049-E1113 IonicContact NZ-OE1 3.42Å; K1049-E1113 PolarHBondContact NZ-OE1 3.24Å; K1049-E1113 IonicContact NZ-OE2 3.81Å; K1049-E1113 PolarHBondContact NZ-OE2 3.47Å; K1049-E1267 WeakPolarHBondContact CE-OE1 3.23Å; K1049-E1267 IonicContact NZ-OE1 3.21Å; K1049-E1267 PolarHBondContact NZ-OE1 3.3Å |
| 1050 | C | 84.8 | Confident | 82.4 | Confident | 54 Ų | 54 | 58.3 Ų | 58.3 | 37% | 0.365 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 168.7 | -170.8 | 0 | 0 | 0 | 0 | 110.8 | K1046 L1047 E1052 I1053 M1054 | K1046-C1050 PolarHBondContact O-N 3.18Å; K1046-C1050 VanDerWaalsContact O-N 3.11Å; L1047-C1050 WeakPolarHBondContact O-CB 3.5Å; L1047-C1050 PolarHBondContact O-N 2.84Å; C1050-E1052 PolarHBondContact O-N 2.77Å; C1050-I1053 PolarHBondContact O-N 2.73Å; C1050-M1054 WeakPolarHBondContact O-CG 3.37Å; C1050-M1054 PolarHBondContact O-N 2.92Å |
| 1051 | L | 85.5 | Confident | 83.6 | Confident | 57 Ų | 57 | 56.9 Ų | 56.9 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 176.8 | -66 | 173.2 | 0 | 0 | 0 | 112.4 | L1047 W1048 I1053 M1054 A1055 I1106 | L1047-L1051 PolarHBondContact O-N 2.78Å; L1047-L1051 VanDerWaalsContact O-N 3.1Å; W1048-L1051 HydrophobicContact CE3-CD1 4.09Å; W1048-L1051 HydrophobicContact CZ3-CD1 4.25Å; W1048-L1051 PolarHBondContact O-N 2.88Å; L1051-I1053 PolarHBondContact O-N 2.89Å; L1051-M1054 PolarHBondContact O-N 3.39Å; L1051-A1055 PolarHBondContact O-N 3.45Å; L1051-I1106 HydrophobicContact CB-CG2 4Å; L1051-I1106 HydrophobicContact CD2-CG2 4.33Å; L1051-I1106 WeakPolarHBondContact O-CG2 3.43Å |
| 1052 | E | 85.6 | Confident | 84.4 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 174.7 | -70.6 | 178.5 | -128.9 | 0 | 0 | 112.7 | H1029 W1048 K1049 C1050 A1055 I1056 R1110 | H1029-E1052 IonicContact CE1-OE2 3.07Å; H1029-E1052 PolarHBondContact CE1-OE2 2.81Å; H1029-E1052 IonicContact NE2-OE2 3.4Å; H1029-E1052 PolarHBondContact NE2-OE2 3.49Å; W1048-E1052 WeakPolarHBondContact O-CG 3.4Å; W1048-E1052 PolarHBondContact O-N 3.39Å; K1049-E1052 WeakPolarHBondContact CD-OE1 3.32Å; K1049-E1052 IonicContact NZ-OE1 3.98Å; K1049-E1052 PolarHBondContact NZ-OE1 3.49Å; K1049-E1052 VanDerWaalsContact NZ-OE1 3.14Å; C1050-E1052 PolarHBondContact O-N 2.77Å; E1052-A1055 PolarHBondContact O-N 3.14Å; E1052-I1056 WeakPolarHBondContact O-CG1 3.38Å; E1052-I1056 PolarHBondContact O-N 3.15Å; E1052-I1056 VanDerWaalsContact O-N 3.16Å; E1052-R1110 VanDerWaalsContact CD-NH1 3.31Å; E1052-R1110 HydrophobicContact CG-CG 4.31Å; E1052-R1110 IonicContact OE1-CZ 3.9Å; E1052-R1110 IonicContact OE1-NE 3.84Å; E1052-R1110 PolarHBondContact OE1-NE 3.09Å; E1052-R1110 IonicContact OE1-NH1 3.22Å; E1052-R1110 IonicContact OE1-NH2 3.91Å; E1052-R1110 PolarHBondContact OE1-NH2 2.85Å; E1052-R1110 IonicContact OE2-CZ 3.14Å; E1052-R1110 IonicContact OE2-NE 3.86Å; E1052-R1110 IonicContact OE2-NH1 2.64Å; E1052-R1110 PolarHBondContact OE2-NH1 2.86Å; E1052-R1110 IonicContact OE2-NH2 3.51Å; E1052-R1110 PolarHBondContact OE2-NH2 3.28Å |
| 1053 | I | 87.7 | Confident | 85.1 | Confident | 38 Ų | 38 | 45.6 Ų | 45.6 | 20% | 0.195 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -42.4 | 178.3 | -72.3 | 169.6 | 0 | 0 | 0 | 110.9 | F1040 Y1043 L1044 K1049 C1050 L1051 A1055 I1056 I1057 | F1040-I1053 HydrophobicContact CZ-CD1 4.27Å; Y1043-I1053 HydrophobicContact CE1-CD1 3.93Å; L1044-I1053 HydrophobicContact CD2-CD1 4.08Å; K1049-I1053 WeakPolarHBondContact O-CG1 3.5Å; K1049-I1053 PolarHBondContact O-N 3.42Å; C1050-I1053 PolarHBondContact O-N 2.73Å; L1051-I1053 PolarHBondContact O-N 2.89Å; I1053-A1055 PolarHBondContact O-N 3.29Å; I1053-I1056 PolarHBondContact O-N 2.83Å; I1053-I1057 HydrophobicContact CG2-CD1 3.67Å; I1053-I1057 HydrophobicContact CG2-CG1 4.3Å; I1053-I1057 WeakPolarHBondContact O-CG1 3.29Å; I1053-I1057 PolarHBondContact O-N 3.41Å |
| 1054 | M | 90 | Very high | 85.8 | Confident | 89 Ų | 89 | 47 Ų | 47 | 44% | 0.438 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 176.6 | -69.9 | -60.6 | -64.8 | 0 | 0 | 111.8 | C1050 L1051 I1056 I1057 I1058 | C1050-M1054 WeakPolarHBondContact O-CG 3.37Å; C1050-M1054 PolarHBondContact O-N 2.92Å; L1051-M1054 PolarHBondContact O-N 3.39Å; M1054-I1056 VanDerWaalsContact C-N 3.29Å; M1054-I1056 PolarHBondContact O-N 2.96Å; M1054-I1057 PolarHBondContact O-N 2.88Å; M1054-I1058 WeakPolarHBondContact O-CB 3.44Å; M1054-I1058 WeakPolarHBondContact O-CD1 3.16Å; M1054-I1058 VanDerWaalsContact O-CG1 3.28Å; M1054-I1058 WeakPolarHBondContact O-CG1 3.21Å; M1054-I1058 PolarHBondContact O-N 3.02Å |
| 1055 | A | 91.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.6 | -39.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1051 E1052 I1053 F1059 S1103 I1106 F1107 | L1051-A1055 PolarHBondContact O-N 3.45Å; E1052-A1055 PolarHBondContact O-N 3.14Å; I1053-A1055 PolarHBondContact O-N 3.29Å; A1055-F1059 WeakPolarHBondContact O-CB 3.4Å; A1055-F1059 PolarHBondContact O-N 3.31Å; A1055-S1103 WeakPolarHBondContact O-CB 3.36Å; A1055-S1103 PolarHBondContact O-OG 3.18Å; A1055-I1106 HydrophobicContact CB-CB 3.92Å; A1055-I1106 HydrophobicContact CB-CG2 3.84Å; A1055-F1107 HydrophobicContact CB-CD1 3.86Å; A1055-F1107 HydrophobicContact CB-CD2 3.96Å; A1055-F1107 HydrophobicContact CB-CE1 3.7Å; A1055-F1107 HydrophobicContact CB-CE2 3.81Å; A1055-F1107 HydrophobicContact CB-CG 3.99Å; A1055-F1107 HydrophobicContact CB-CZ 3.68Å |
| 1056 | I | 90.9 | Very high | 86.7 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71 | -43.6 | 178.2 | -70.5 | 170.4 | 0 | 0 | 0 | 111.8 | F1025 I1026 H1029 E1052 I1053 M1054 I1058 F1059 I1060 F1107 | F1025-I1056 HydrophobicContact CB-CD1 4.18Å; I1026-I1056 HydrophobicContact CD1-CG2 3.99Å; I1026-I1056 HydrophobicContact CG1-CD1 4.42Å; I1026-I1056 HydrophobicContact CG1-CG2 3.61Å; H1029-I1056 WeakPolarHBondContact CD2-CD1 3.18Å; H1029-I1056 WeakPolarHBondContact NE2-CD1 3.27Å; E1052-I1056 WeakPolarHBondContact O-CG1 3.38Å; E1052-I1056 PolarHBondContact O-N 3.15Å; E1052-I1056 VanDerWaalsContact O-N 3.16Å; I1053-I1056 PolarHBondContact O-N 2.83Å; M1054-I1056 VanDerWaalsContact C-N 3.29Å; M1054-I1056 PolarHBondContact O-N 2.96Å; I1056-I1058 VanDerWaalsContact C-N 3.31Å; I1056-I1058 PolarHBondContact O-N 3.38Å; I1056-F1059 WeakPolarHBondContact O-CB 3.33Å; I1056-F1059 PolarHBondContact O-N 3.25Å; I1056-I1060 HydrophobicContact CG2-CD1 3.86Å; I1056-I1060 HydrophobicContact CG2-CG1 4.5Å; I1056-I1060 WeakPolarHBondContact O-CG1 3.48Å; I1056-I1060 PolarHBondContact O-N 3.02Å; I1056-F1107 HydrophobicContact CG1-CE1 4.42Å; I1056-F1107 HydrophobicContact CG1-CZ 3.94Å |
| 1057 | I | 92.2 | Very high | 86.6 | Confident | 84 Ų | 84 | 42 Ų | 42 | 43% | 0.431 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 177 | -70 | 167.7 | 0 | 0 | 0 | 110.2 | I1053 M1054 F1059 I1060 L1061 | I1053-I1057 HydrophobicContact CG2-CD1 3.67Å; I1053-I1057 HydrophobicContact CG2-CG1 4.3Å; I1053-I1057 WeakPolarHBondContact O-CG1 3.29Å; I1053-I1057 PolarHBondContact O-N 3.41Å; M1054-I1057 PolarHBondContact O-N 2.88Å; I1057-F1059 VanDerWaalsContact C-N 3.34Å; I1057-F1059 PolarHBondContact O-N 2.86Å; I1057-I1060 PolarHBondContact O-N 3.12Å; I1057-L1061 HydrophobicContact CG2-CD1 4.07Å; I1057-L1061 WeakPolarHBondContact O-CG 3.29Å; I1057-L1061 PolarHBondContact O-N 2.77Å |
| 1058 | I | 93.2 | Very high | 86.5 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 176.9 | -70.5 | 167.5 | 0 | 0 | 0 | 111.2 | M1054 I1056 L1061 G1062 F1099 L1102 I1106 | M1054-I1058 WeakPolarHBondContact O-CB 3.44Å; M1054-I1058 WeakPolarHBondContact O-CD1 3.16Å; M1054-I1058 VanDerWaalsContact O-CG1 3.28Å; M1054-I1058 WeakPolarHBondContact O-CG1 3.21Å; M1054-I1058 PolarHBondContact O-N 3.02Å; I1056-I1058 VanDerWaalsContact C-N 3.31Å; I1056-I1058 PolarHBondContact O-N 3.38Å; I1058-L1061 PolarHBondContact O-N 2.75Å; I1058-G1062 PolarHBondContact O-N 3.47Å; I1058-F1099 HydrophobicContact CG2-CB 4.12Å; I1058-F1099 HydrophobicContact CG2-CD1 4.09Å; I1058-F1099 WeakPolarHBondContact CG2-O 3.36Å; I1058-L1102 HydrophobicContact CG2-CB 3.93Å; I1058-I1106 HydrophobicContact CD1-CD1 3.59Å |
| 1059 | F | 91.8 | Very high | 86 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.022 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 172.9 | -170.3 | -88.6 | 0 | 0 | 0 | 112.1 | F996 L1018 Y1019 V1022 A1055 I1056 I1057 L1061 G1062 T1063 Y1100 | F996-F1059 HydrophobicContact CE1-CD2 4.23Å; F996-F1059 HydrophobicContact CE1-CE2 4.39Å; F996-F1059 HydrophobicContact CE2-CD2 4.42Å; F996-F1059 AromaticContact CE2-CE2 3.98Å; F996-F1059 HydrophobicContact CE2-CE2 3.98Å; F996-F1059 AromaticContact CZ-CD2 3.79Å; F996-F1059 HydrophobicContact CZ-CD2 3.79Å; F996-F1059 AromaticContact CZ-CE2 3.8Å; F996-F1059 HydrophobicContact CZ-CE2 3.8Å; L1018-F1059 HydrophobicContact CD2-CE2 3.99Å; L1018-F1059 HydrophobicContact CD2-CZ 4.07Å; L1018-F1059 HydrophobicContact CG-CE2 4.19Å; L1018-F1059 HydrophobicContact CG-CZ 4.02Å; Y1019-F1059 AromaticContact CD1-CE1 3.89Å; Y1019-F1059 HydrophobicContact CD1-CE1 3.89Å; Y1019-F1059 AromaticContact CD1-CZ 3.83Å; Y1019-F1059 HydrophobicContact CD1-CZ 3.83Å; Y1019-F1059 HydrophobicContact CE1-CE1 4.25Å; Y1019-F1059 HydrophobicContact CE1-CZ 4.04Å; V1022-F1059 HydrophobicContact CB-CD1 4.11Å; V1022-F1059 HydrophobicContact CB-CE1 3.98Å; V1022-F1059 HydrophobicContact CB-CZ 4.42Å; V1022-F1059 HydrophobicContact CG1-CD1 3.7Å; V1022-F1059 HydrophobicContact CG1-CE1 4.08Å; V1022-F1059 HydrophobicContact CG1-CG 4.14Å; V1022-F1059 HydrophobicContact CG2-CD1 4.01Å; V1022-F1059 HydrophobicContact CG2-CD2 4.13Å; V1022-F1059 HydrophobicContact CG2-CE1 3.79Å; V1022-F1059 HydrophobicContact CG2-CE2 3.93Å; V1022-F1059 HydrophobicContact CG2-CG 4.17Å; V1022-F1059 HydrophobicContact CG2-CZ 3.76Å; A1055-F1059 WeakPolarHBondContact O-CB 3.4Å; A1055-F1059 PolarHBondContact O-N 3.31Å; I1056-F1059 WeakPolarHBondContact O-CB 3.33Å; I1056-F1059 PolarHBondContact O-N 3.25Å; I1057-F1059 VanDerWaalsContact C-N 3.34Å; I1057-F1059 PolarHBondContact O-N 2.86Å; F1059-L1061 VanDerWaalsContact C-N 3.33Å; F1059-L1061 PolarHBondContact O-N 2.83Å; F1059-G1062 PolarHBondContact O-N 3.27Å; F1059-G1062 VanDerWaalsContact O-N 3.17Å; F1059-T1063 HydrophobicContact CD1-CG2 3.84Å; F1059-T1063 HydrophobicContact CE1-CG2 3.44Å; F1059-T1063 VanDerWaalsContact CE1-CG2 3.44Å; F1059-T1063 HydrophobicContact CZ-CG2 4.14Å; F1059-T1063 PolarHBondContact O-N 3.24Å; F1059-Y1100 AromaticContact CD2-CD1 3.76Å; F1059-Y1100 HydrophobicContact CD2-CD1 3.76Å; F1059-Y1100 AromaticContact CD2-CE1 3.95Å; F1059-Y1100 HydrophobicContact CD2-CE1 3.95Å; F1059-Y1100 HydrophobicContact CE1-CE1 4.37Å; F1059-Y1100 AromaticContact CE2-CD1 3.76Å; F1059-Y1100 HydrophobicContact CE2-CD1 3.76Å; F1059-Y1100 AromaticContact CE2-CE1 3.74Å; F1059-Y1100 HydrophobicContact CE2-CE1 3.74Å; F1059-Y1100 HydrophobicContact CG-CD1 4.44Å; F1059-Y1100 HydrophobicContact CG-CE1 4.35Å; F1059-Y1100 HydrophobicContact CZ-CD1 4.45Å; F1059-Y1100 AromaticContact CZ-CE1 3.96Å; F1059-Y1100 HydrophobicContact CZ-CE1 3.96Å |
| 1060 | I | 91.7 | Very high | 85.1 | Confident | 82 Ų | 82 | 46.6 Ų | 46.6 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 179.7 | -67.7 | 165.1 | 0 | 0 | 0 | 110.5 | I1026 I1056 I1057 G1062 T1063 A1064 | I1026-I1060 HydrophobicContact CD1-CD1 4.11Å; I1056-I1060 HydrophobicContact CG2-CD1 3.86Å; I1056-I1060 HydrophobicContact CG2-CG1 4.5Å; I1056-I1060 WeakPolarHBondContact O-CG1 3.48Å; I1056-I1060 PolarHBondContact O-N 3.02Å; I1057-I1060 PolarHBondContact O-N 3.12Å; I1060-G1062 VanDerWaalsContact C-N 3.35Å; I1060-G1062 PolarHBondContact O-N 3.16Å; I1060-T1063 WeakPolarHBondContact CA-OG1 3.37Å; I1060-T1063 PolarHBondContact O-N 3.26Å; I1060-T1063 PolarHBondContact O-OG1 3.2Å; I1060-A1064 WeakPolarHBondContact O-CB 3.43Å; I1060-A1064 PolarHBondContact O-N 2.83Å |
| 1061 | L | 91.4 | Very high | 84.1 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 172.7 | -75.3 | 161.2 | 0 | 0 | 0 | 111.7 | I1057 I1058 F1059 T1063 A1064 L1065 | I1057-L1061 HydrophobicContact CG2-CD1 4.07Å; I1057-L1061 WeakPolarHBondContact O-CG 3.29Å; I1057-L1061 PolarHBondContact O-N 2.77Å; I1058-L1061 PolarHBondContact O-N 2.75Å; F1059-L1061 VanDerWaalsContact C-N 3.33Å; F1059-L1061 PolarHBondContact O-N 2.83Å; L1061-T1063 PolarHBondContact O-N 2.79Å; L1061-A1064 PolarHBondContact O-N 2.84Å; L1061-L1065 WeakPolarHBondContact O-CD1 3.08Å; L1061-L1065 WeakPolarHBondContact O-CG 3.49Å; L1061-L1065 PolarHBondContact O-N 2.67Å |
| 1062 | G | 87 | Confident | 82.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.2 | -47 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1058 F1059 I1060 A1064 L1065 Q1066 A1096 | I1058-G1062 PolarHBondContact O-N 3.47Å; F1059-G1062 PolarHBondContact O-N 3.27Å; F1059-G1062 VanDerWaalsContact O-N 3.17Å; I1060-G1062 VanDerWaalsContact C-N 3.35Å; I1060-G1062 PolarHBondContact O-N 3.16Å; G1062-A1064 PolarHBondContact O-N 3.17Å; G1062-L1065 PolarHBondContact O-N 3.23Å; G1062-Q1066 WeakPolarHBondContact O-CB 3.43Å; G1062-Q1066 PolarHBondContact O-N 2.74Å; G1062-A1096 WeakPolarHBondContact O-CB 3.39Å |
| 1063 | T | 85.1 | Confident | 81.2 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 16% | 0.16 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.9 | -37.4 | 176.5 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | Y1019 F1059 I1060 L1061 Q1066 L1067 Y1100 | Y1019-T1063 HydrophobicContact CD1-CG2 4.15Å; Y1019-T1063 HydrophobicContact CE1-CG2 3.68Å; F1059-T1063 HydrophobicContact CD1-CG2 3.84Å; F1059-T1063 HydrophobicContact CE1-CG2 3.44Å; F1059-T1063 VanDerWaalsContact CE1-CG2 3.44Å; F1059-T1063 HydrophobicContact CZ-CG2 4.14Å; F1059-T1063 PolarHBondContact O-N 3.24Å; I1060-T1063 WeakPolarHBondContact CA-OG1 3.37Å; I1060-T1063 PolarHBondContact O-N 3.26Å; I1060-T1063 PolarHBondContact O-OG1 3.2Å; L1061-T1063 PolarHBondContact O-N 2.79Å; T1063-Q1066 PolarHBondContact O-N 2.68Å; T1063-L1067 WeakPolarHBondContact O-CB 3.34Å; T1063-L1067 VanDerWaalsContact O-CG 3.25Å; T1063-L1067 WeakPolarHBondContact O-CG 3.37Å; T1063-L1067 PolarHBondContact O-N 2.71Å; T1063-Y1100 VanDerWaalsContact CA-OH 3.3Å; T1063-Y1100 WeakPolarHBondContact CA-OH 3.43Å; T1063-Y1100 HydrophobicContact CG2-CE1 3.95Å; T1063-Y1100 VanDerWaalsContact CG2-OH 3.3Å; T1063-Y1100 WeakPolarHBondContact CG2-OH 3.32Å; T1063-Y1100 PolarHBondContact N-OH 3.44Å |
| 1064 | A | 85.4 | Confident | 79.5 | Confident | 52 Ų | 52 | 61 Ų | 61 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1060 L1061 G1062 L1067 L1068 | I1060-A1064 WeakPolarHBondContact O-CB 3.43Å; I1060-A1064 PolarHBondContact O-N 2.83Å; L1061-A1064 PolarHBondContact O-N 2.84Å; G1062-A1064 PolarHBondContact O-N 3.17Å; A1064-L1067 PolarHBondContact O-N 3.24Å; A1064-L1068 WeakPolarHBondContact O-CB 3.4Å; A1064-L1068 PolarHBondContact O-N 2.99Å |
| 1065 | L | 84.1 | Confident | 77.5 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 19% | 0.188 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 174.3 | -69.3 | 163.1 | 0 | 0 | 0 | 111.7 | L1061 G1062 L1067 L1068 V1069 L1092 L1095 A1096 F1099 | L1061-L1065 WeakPolarHBondContact O-CD1 3.08Å; L1061-L1065 WeakPolarHBondContact O-CG 3.49Å; L1061-L1065 PolarHBondContact O-N 2.67Å; G1062-L1065 PolarHBondContact O-N 3.23Å; L1065-L1067 VanDerWaalsContact C-N 3.33Å; L1065-L1067 PolarHBondContact O-N 3.48Å; L1065-L1068 WeakPolarHBondContact O-CB 3.35Å; L1065-L1068 PolarHBondContact O-N 2.73Å; L1065-V1069 PolarHBondContact O-N 3Å; L1065-L1092 HydrophobicContact CD2-CD2 3.7Å; L1065-L1095 HydrophobicContact CD1-CB 4.33Å; L1065-A1096 HydrophobicContact CB-CB 4.09Å; L1065-F1099 HydrophobicContact CD1-CD2 3.39Å; L1065-F1099 HydrophobicContact CD1-CE2 3.34Å |
| 1066 | Q | 78.7 | Confident | 75.5 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 15% | 0.145 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 174 | -170.9 | 177.7 | 6.4 | 0 | 0 | 112 | Y1019 G1062 T1063 L1070 A1096 Y1100 | Y1019-Q1066 PolarHBondContact OH-OE1 3.26Å; G1062-Q1066 WeakPolarHBondContact O-CB 3.43Å; G1062-Q1066 PolarHBondContact O-N 2.74Å; T1063-Q1066 PolarHBondContact O-N 2.68Å; Q1066-L1070 WeakPolarHBondContact O-CD1 3.31Å; Q1066-A1096 HydrophobicContact CB-CB 4.32Å; Q1066-Y1100 PolarHBondContact OE1-OH 3.44Å |
| 1067 | L | 77.4 | Confident | 73.1 | Confident | 93 Ų | 93 | 80.9 Ų | 80.9 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.4 | -34 | 175.9 | -74 | 168.9 | 0 | 0 | 0 | 113 | T1063 A1064 L1065 V1069 L1070 T1071 | T1063-L1067 WeakPolarHBondContact O-CB 3.34Å; T1063-L1067 VanDerWaalsContact O-CG 3.25Å; T1063-L1067 WeakPolarHBondContact O-CG 3.37Å; T1063-L1067 PolarHBondContact O-N 2.71Å; A1064-L1067 PolarHBondContact O-N 3.24Å; L1065-L1067 VanDerWaalsContact C-N 3.33Å; L1065-L1067 PolarHBondContact O-N 3.48Å; L1067-V1069 VanDerWaalsContact C-N 3.32Å; L1067-V1069 PolarHBondContact O-N 3.08Å; L1067-L1070 HydrophobicContact CD2-CD1 4.37Å; L1067-L1070 WeakPolarHBondContact O-CB 3.28Å; L1067-L1070 PolarHBondContact O-N 2.89Å; L1067-L1070 VanDerWaalsContact O-N 3.11Å; L1067-T1071 PolarHBondContact O-N 3.29Å |
| 1068 | L | 77.1 | Confident | 70.6 | Confident | 78 Ų | 78 | 82.5 Ų | 82.5 | 41% | 0.408 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 177.1 | -162.8 | 82.3 | 0 | 0 | 0 | 111.3 | A1064 L1065 L1070 T1071 L1092 | A1064-L1068 WeakPolarHBondContact O-CB 3.4Å; A1064-L1068 PolarHBondContact O-N 2.99Å; L1065-L1068 WeakPolarHBondContact O-CB 3.35Å; L1065-L1068 PolarHBondContact O-N 2.73Å; L1068-L1070 PolarHBondContact O-N 2.88Å; L1068-T1071 WeakPolarHBondContact CA-OG1 3.32Å; L1068-T1071 PolarHBondContact O-N 2.96Å; L1068-T1071 PolarHBondContact O-OG1 2.98Å; L1068-L1092 HydrophobicContact CD2-CD1 4.09Å; L1068-L1092 HydrophobicContact CD2-CD2 4.36Å |
| 1069 | V | 71.1 | Confident | 68.1 | Low | 32 Ų | 32 | 89.7 Ų | 89.7 | 19% | 0.194 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -58.3 | -32.3 | 177 | 174.6 | 0 | 0 | 0 | 0 | 112 | L1065 L1067 Q1089 L1092 | L1065-V1069 PolarHBondContact O-N 3Å; L1067-V1069 VanDerWaalsContact C-N 3.32Å; L1067-V1069 PolarHBondContact O-N 3.08Å; V1069-Q1089 HydrophobicContact CG1-CB 4.32Å; V1069-Q1089 HydrophobicContact CG1-CG 4.31Å; V1069-L1092 HydrophobicContact CG2-CB 3.66Å; V1069-L1092 HydrophobicContact CG2-CD1 4.11Å |
| 1070 | L | 65 | Low | 65.7 | Low | 93 Ų | 93 | 95.8 Ų | 95.8 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -80.4 | -19.3 | 178.2 | -70.9 | 148.2 | 0 | 0 | 0 | 113.7 | V1010 Q1066 L1067 L1068 | V1010-L1070 HydrophobicContact CG2-CD1 3.21Å; V1010-L1070 HydrophobicContact CG2-CD2 4.1Å; V1010-L1070 HydrophobicContact CG2-CG 4.29Å; Q1066-L1070 WeakPolarHBondContact O-CD1 3.31Å; L1067-L1070 HydrophobicContact CD2-CD1 4.37Å; L1067-L1070 WeakPolarHBondContact O-CB 3.28Å; L1067-L1070 PolarHBondContact O-N 2.89Å; L1067-L1070 VanDerWaalsContact O-N 3.11Å; L1068-L1070 PolarHBondContact O-N 2.88Å |
| 1071 | T | 63.9 | Low | 63.3 | Low | 109 Ų | 109 | 97.5 Ų | 97.5 | 67% | 0.669 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -85.9 | -15.2 | -178.4 | 48 | 0 | 0 | 0 | 0 | 114.6 | L1067 L1068 | L1067-T1071 PolarHBondContact O-N 3.29Å; L1068-T1071 WeakPolarHBondContact CA-OG1 3.32Å; L1068-T1071 PolarHBondContact O-N 2.96Å; L1068-T1071 PolarHBondContact O-OG1 2.98Å |
| 1072 | E | 59.3 | Low | 61.2 | Low | 131 Ų | 131 | 99.9 Ų | 99.9 | 61% | 0.612 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -96.6 | -9.2 | -171.9 | -77.6 | -170.1 | 137.1 | 0 | 0 | 116.1 | ||
| 1073 | E | 51.3 | Low | 59.1 | Low | 123 Ų | 123 | 105.7 Ų | 105.7 | 58% | 0.575 | 58% | 0.576 | S | S | * | * | trans | -125 | 11.4 | -163.8 | -120.4 | -176.5 | -156.3 | 0 | 0 | 118.3 | E1075 Q1089 | E1073-E1075 PolarHBondContact O-N 3.32Å; E1073-Q1089 PolarHBondContact OE1-NE2 2.67Å; E1073-Q1089 PolarHBondContact OE1-OE1 2.89Å | ||
| 1074 | A | 52 | Low | 57.6 | Low | 96 Ų | 96 | 108.3 Ų | 108.3 | 79% | 0.793 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -74.2 | -8.3 | -167 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1075 | E | 46.7 | Very low | 56.2 | Low | 155 Ų | 155 | 109.8 Ų | 109.8 | 72% | 0.724 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -157.5 | -21 | -174.7 | -136.1 | -178.4 | -124.2 | 0 | 0 | 122 | E1073 | E1073-E1075 PolarHBondContact O-N 3.32Š|
| 1076 | R | 49.7 | Very low | 55.1 | Low | 220 Ų | 220 | 110 Ų | 110 | 83% | 0.83 | 60% | 0.602 | S | S | * | * | trans | -138.7 | 140.3 | -164.4 | -70.5 | -177.2 | -168.4 | 164.2 | 11.2 | 118.8 | ||||
| 1077 | L | 41.4 | Very low | 54.4 | Low | 146 Ų | 146 | 111.1 Ų | 111.1 | 76% | 0.764 | 62% | 0.616 | S | S | * | * | trans | 80.4 | 49.7 | 172 | -114.5 | 79 | 0 | 0 | 0 | 118.6 | F1079 | L1077-F1079 PolarHBondContact O-N 3.2Š| ||
| 1078 | S | 40.1 | Very low | 54 | Low | 117 Ų | 117 | 111.2 Ų | 111.2 | 82% | 0.818 | 62% | 0.616 | S | S | * | * | trans | -58.2 | 64.7 | 139.8 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1079 | F | 39.8 | Very low | 53.5 | Low | 176 Ų | 176 | 108.9 Ų | 108.9 | 77% | 0.772 | 60% | 0.603 | S | S | * | * | trans | -167.4 | 68.6 | 171.7 | -104.9 | -65.6 | 0 | 0 | 0 | 112.9 | L1077 | L1077-F1079 PolarHBondContact O-N 3.2Š| ||
| 1080 | T | 41.2 | Very low | 53.5 | Low | 132 Ų | 132 | 112.8 Ų | 112.8 | 81% | 0.81 | 62% | 0.619 | S | S | * | * | trans | 168.4 | 141.4 | 138.5 | 37.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1081 | P | 41.5 | Very low | 54 | Low | 118 Ų | 118 | 110.5 Ų | 110.5 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | trans | -90.6 | 164.9 | -175.2 | 35.7 | -35.4 | 0 | 0 | 0 | 114 | ||||
| 1082 | V | 46.7 | Very low | 54.8 | Low | 134 Ų | 134 | 106.5 Ų | 106.5 | 81% | 0.812 | 59% | 0.588 | S | S | * | * | trans | 101.5 | 114.2 | 176.4 | -173 | 0 | 0 | 0 | 0 | 112.3 | P1084 | V1082-P1084 WeakPolarHBondContact O-CD 3.26Š| ||
| 1083 | N | 44.3 | Very low | 55.6 | Low | 121 Ų | 121 | 102.7 Ų | 102.7 | 65% | 0.647 | 57% | 0.571 | S | S | * | * | trans | -114.4 | 104.4 | -144.1 | -49.9 | -16.3 | 0 | 0 | 0 | 113.6 | ||||
| 1084 | P | 52.8 | Low | 57.1 | Low | 81 Ų | 81 | 102.5 Ų | 102.5 | 53% | 0.526 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -96 | -23.9 | 160.2 | 34.2 | -32.6 | 0 | 0 | 0 | 112.6 | V1082 A1087 I1088 | V1082-P1084 WeakPolarHBondContact O-CD 3.26Å; P1084-A1087 WeakPolarHBondContact O-CB 3.18Å; P1084-A1087 PolarHBondContact O-N 3.41Å; P1084-I1088 WeakPolarHBondContact O-CG1 3.32Å; P1084-I1088 PolarHBondContact O-N 3.43Å |
| 1085 | V | 55.8 | Low | 58.7 | Low | 83 Ų | 83 | 101.6 Ų | 101.6 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -43.8 | -175 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | A1087 I1088 Q1089 | V1085-A1087 VanDerWaalsContact C-N 3.31Å; V1085-A1087 PolarHBondContact O-N 3.4Å; V1085-I1088 PolarHBondContact O-N 2.89Å; V1085-Q1089 WeakPolarHBondContact O-CG 3.27Å; V1085-Q1089 PolarHBondContact O-N 2.93Å |
| 1086 | S | 60.5 | Low | 60.5 | Low | 42 Ų | 42 | 94.2 Ų | 94.2 | 29% | 0.294 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -37.7 | 173.3 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | Q1089 E1090 | S1086-Q1089 PolarHBondContact O-N 3.04Å; S1086-E1090 VanDerWaalsContact O-CB 3.3Å; S1086-E1090 WeakPolarHBondContact O-CB 3.37Å; S1086-E1090 VanDerWaalsContact O-CG 3.28Å; S1086-E1090 WeakPolarHBondContact O-CG 3.31Å; S1086-E1090 PolarHBondContact O-N 3.21Å |
| 1087 | A | 65.5 | Low | 62.3 | Low | 53 Ų | 53 | 88.4 Ų | 88.4 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1084 V1085 A1091 | P1084-A1087 WeakPolarHBondContact O-CB 3.18Å; P1084-A1087 PolarHBondContact O-N 3.41Å; V1085-A1087 VanDerWaalsContact C-N 3.31Å; V1085-A1087 PolarHBondContact O-N 3.4Å; A1087-A1091 WeakPolarHBondContact O-CB 3.24Å; A1087-A1091 PolarHBondContact O-N 3.44Å |
| 1088 | I | 67.7 | Low | 64.5 | Low | 96 Ų | 96 | 86 Ų | 86 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 174.2 | -68.1 | 166 | 0 | 0 | 0 | 110.4 | P1084 V1085 A1091 L1092 | P1084-I1088 WeakPolarHBondContact O-CG1 3.32Å; P1084-I1088 PolarHBondContact O-N 3.43Å; V1085-I1088 PolarHBondContact O-N 2.89Å; I1088-A1091 PolarHBondContact O-N 2.93Å; I1088-L1092 HydrophobicContact CG2-CD1 3.85Å; I1088-L1092 HydrophobicContact CG2-CG 4.38Å; I1088-L1092 WeakPolarHBondContact O-CB 3.32Å; I1088-L1092 VanDerWaalsContact O-CG 3.23Å; I1088-L1092 WeakPolarHBondContact O-CG 3.43Å; I1088-L1092 PolarHBondContact O-N 3.31Å |
| 1089 | Q | 66.6 | Low | 67 | Low | 28 Ų | 28 | 83.1 Ų | 83.1 | 13% | 0.131 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.5 | -43 | 178.2 | -69.9 | 164 | -8.4 | 0 | 0 | 112.8 | V1069 E1073 V1085 S1086 A1091 L1092 L1093 | V1069-Q1089 HydrophobicContact CG1-CB 4.32Å; V1069-Q1089 HydrophobicContact CG1-CG 4.31Å; E1073-Q1089 PolarHBondContact OE1-NE2 2.67Å; E1073-Q1089 PolarHBondContact OE1-OE1 2.89Å; V1085-Q1089 WeakPolarHBondContact O-CG 3.27Å; V1085-Q1089 PolarHBondContact O-N 2.93Å; S1086-Q1089 PolarHBondContact O-N 3.04Å; Q1089-A1091 VanDerWaalsContact C-N 3.34Å; Q1089-L1092 PolarHBondContact O-N 3.17Å; Q1089-L1093 VanDerWaalsContact O-CB 3.32Å; Q1089-L1093 WeakPolarHBondContact O-CB 3.46Å; Q1089-L1093 PolarHBondContact O-N 3.36Å |
| 1090 | E | 72.3 | Confident | 69.4 | Low | 115 Ų | 115 | 75.2 Ų | 75.2 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 172.9 | -76.9 | 174.7 | -151.5 | 0 | 0 | 110.8 | S1086 L1093 Q1094 | S1086-E1090 VanDerWaalsContact O-CB 3.3Å; S1086-E1090 WeakPolarHBondContact O-CB 3.37Å; S1086-E1090 VanDerWaalsContact O-CG 3.28Å; S1086-E1090 WeakPolarHBondContact O-CG 3.31Å; S1086-E1090 PolarHBondContact O-N 3.21Å; E1090-L1093 PolarHBondContact O-N 3.39Å; E1090-Q1094 WeakPolarHBondContact O-CB 3.17Å; E1090-Q1094 WeakPolarHBondContact O-CG 3.25Å; E1090-Q1094 PolarHBondContact O-N 3.29Å |
| 1091 | A | 75.3 | Confident | 71.8 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1087 I1088 Q1089 Q1094 L1095 | A1087-A1091 WeakPolarHBondContact O-CB 3.24Å; A1087-A1091 PolarHBondContact O-N 3.44Å; I1088-A1091 PolarHBondContact O-N 2.93Å; Q1089-A1091 VanDerWaalsContact C-N 3.34Å; A1091-Q1094 PolarHBondContact O-N 3.28Å; A1091-L1095 WeakPolarHBondContact O-CB 3.21Å; A1091-L1095 VanDerWaalsContact O-CG 3.24Å; A1091-L1095 WeakPolarHBondContact O-CG 3.03Å; A1091-L1095 PolarHBondContact O-N 3.5Å |
| 1092 | L | 79.8 | Confident | 74.2 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 14% | 0.136 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 176.5 | -72.9 | 168.5 | 0 | 0 | 0 | 112.2 | L1065 L1068 V1069 I1088 Q1089 L1095 A1096 | L1065-L1092 HydrophobicContact CD2-CD2 3.7Å; L1068-L1092 HydrophobicContact CD2-CD1 4.09Å; L1068-L1092 HydrophobicContact CD2-CD2 4.36Å; V1069-L1092 HydrophobicContact CG2-CB 3.66Å; V1069-L1092 HydrophobicContact CG2-CD1 4.11Å; I1088-L1092 HydrophobicContact CG2-CD1 3.85Å; I1088-L1092 HydrophobicContact CG2-CG 4.38Å; I1088-L1092 WeakPolarHBondContact O-CB 3.32Å; I1088-L1092 VanDerWaalsContact O-CG 3.23Å; I1088-L1092 WeakPolarHBondContact O-CG 3.43Å; I1088-L1092 PolarHBondContact O-N 3.31Å; Q1089-L1092 PolarHBondContact O-N 3.17Å; L1092-L1095 PolarHBondContact O-N 2.99Å; L1092-A1096 WeakPolarHBondContact O-CB 3.25Å; L1092-A1096 PolarHBondContact O-N 3.49Å |
| 1093 | L | 77.2 | Confident | 76.4 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.9 | -39.4 | 176.5 | -173.8 | 65.4 | 0 | 0 | 0 | 111.8 | Q1089 E1090 A1096 R1097 | Q1089-L1093 VanDerWaalsContact O-CB 3.32Å; Q1089-L1093 WeakPolarHBondContact O-CB 3.46Å; Q1089-L1093 PolarHBondContact O-N 3.36Å; E1090-L1093 PolarHBondContact O-N 3.39Å; L1093-A1096 PolarHBondContact O-N 3.39Å; L1093-R1097 PolarHBondContact O-N 2.91Å |
| 1094 | Q | 81.9 | Confident | 78.7 | Confident | 120 Ų | 120 | 57.3 Ų | 57.3 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 172.1 | -74.3 | 174.4 | 26.1 | 0 | 0 | 111.1 | E1090 A1091 A1096 R1097 I1098 | E1090-Q1094 WeakPolarHBondContact O-CB 3.17Å; E1090-Q1094 WeakPolarHBondContact O-CG 3.25Å; E1090-Q1094 PolarHBondContact O-N 3.29Å; A1091-Q1094 PolarHBondContact O-N 3.28Å; Q1094-A1096 PolarHBondContact O-N 3.39Å; Q1094-R1097 PolarHBondContact O-N 2.91Å; Q1094-I1098 VanDerWaalsContact O-CG1 3.3Å; Q1094-I1098 WeakPolarHBondContact O-CG1 3.18Å; Q1094-I1098 PolarHBondContact O-N 2.92Å |
| 1095 | L | 86 | Confident | 80.5 | Confident | 76 Ų | 76 | 56.6 Ų | 56.6 | 40% | 0.398 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 173.2 | -75.4 | 168.1 | 0 | 0 | 0 | 111.4 | L1065 A1091 L1092 R1097 I1098 F1099 | L1065-L1095 HydrophobicContact CD1-CB 4.33Å; A1091-L1095 WeakPolarHBondContact O-CB 3.21Å; A1091-L1095 VanDerWaalsContact O-CG 3.24Å; A1091-L1095 WeakPolarHBondContact O-CG 3.03Å; A1091-L1095 PolarHBondContact O-N 3.5Å; L1092-L1095 PolarHBondContact O-N 2.99Å; L1095-R1097 VanDerWaalsContact C-N 3.34Å; L1095-R1097 PolarHBondContact O-N 3.43Å; L1095-I1098 PolarHBondContact O-N 3.17Å; L1095-F1099 HydrophobicContact CB-CD2 4.49Å; L1095-F1099 HydrophobicContact CB-CE2 4.29Å; L1095-F1099 WeakPolarHBondContact O-CD2 3.48Å; L1095-F1099 PolarHBondContact O-N 3.27Å |
| 1096 | A | 84.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.3 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1062 L1065 Q1066 L1092 L1093 Q1094 F1099 Y1100 | G1062-A1096 WeakPolarHBondContact O-CB 3.39Å; L1065-A1096 HydrophobicContact CB-CB 4.09Å; Q1066-A1096 HydrophobicContact CB-CB 4.32Å; L1092-A1096 WeakPolarHBondContact O-CB 3.25Å; L1092-A1096 PolarHBondContact O-N 3.49Å; L1093-A1096 PolarHBondContact O-N 3.39Å; Q1094-A1096 PolarHBondContact O-N 3.39Å; A1096-F1099 PolarHBondContact O-N 3.48Å; A1096-Y1100 WeakPolarHBondContact O-CD2 3.31Å; A1096-Y1100 PolarHBondContact O-N 3.41Å |
| 1097 | R | 86.9 | Confident | 83.7 | Confident | 97 Ų | 97 | 52.5 Ų | 52.5 | 37% | 0.366 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 175.3 | -164.7 | 177.2 | -168.9 | 153 | 10.7 | 112.2 | L1000 V1004 D1005 L1093 Q1094 L1095 Y1100 G1101 | L1000-R1097 HydrophobicContact CD1-CG 3.96Å; L1000-R1097 PolarHBondContact O-NH2 3.2Å; L1000-R1097 VanDerWaalsContact O-NH2 3.08Å; V1004-R1097 HydrophobicContact CG1-CG 4.26Å; D1005-R1097 IonicContact OD1-CZ 3.8Å; D1005-R1097 IonicContact OD1-NH1 3.07Å; D1005-R1097 PolarHBondContact OD1-NH1 3.47Å; D1005-R1097 VanDerWaalsContact OD1-NH1 3.07Å; D1005-R1097 IonicContact OD1-NH2 3.68Å; L1093-R1097 PolarHBondContact O-N 2.91Å; Q1094-R1097 PolarHBondContact O-N 2.91Å; L1095-R1097 VanDerWaalsContact C-N 3.34Å; L1095-R1097 PolarHBondContact O-N 3.43Å; R1097-Y1100 PolarHBondContact O-N 3.17Å; R1097-G1101 PolarHBondContact O-N 3.27Å |
| 1098 | I | 89 | Confident | 84.9 | Confident | 97 Ų | 97 | 54.6 Ų | 54.6 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 174.9 | -69.2 | 163.1 | 0 | 0 | 0 | 110.5 | Q1094 L1095 Y1100 G1101 L1102 | Q1094-I1098 VanDerWaalsContact O-CG1 3.3Å; Q1094-I1098 WeakPolarHBondContact O-CG1 3.18Å; Q1094-I1098 PolarHBondContact O-N 2.92Å; L1095-I1098 PolarHBondContact O-N 3.17Å; I1098-Y1100 PolarHBondContact O-N 3.34Å; I1098-G1101 PolarHBondContact O-N 3.24Å; I1098-L1102 HydrophobicContact CG2-CD1 4.06Å; I1098-L1102 HydrophobicContact CG2-CG 4.42Å; I1098-L1102 WeakPolarHBondContact O-CG 3.29Å; I1098-L1102 PolarHBondContact O-N 2.96Å |
| 1099 | F | 91.8 | Very high | 85.8 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 176.1 | -72.3 | -58.7 | 0 | 0 | 0 | 111.8 | I1058 L1065 L1095 A1096 G1101 L1102 S1103 | I1058-F1099 HydrophobicContact CG2-CB 4.12Å; I1058-F1099 HydrophobicContact CG2-CD1 4.09Å; I1058-F1099 WeakPolarHBondContact CG2-O 3.36Å; L1065-F1099 HydrophobicContact CD1-CD2 3.39Å; L1065-F1099 HydrophobicContact CD1-CE2 3.34Å; L1095-F1099 HydrophobicContact CB-CD2 4.49Å; L1095-F1099 HydrophobicContact CB-CE2 4.29Å; L1095-F1099 WeakPolarHBondContact O-CD2 3.48Å; L1095-F1099 PolarHBondContact O-N 3.27Å; A1096-F1099 PolarHBondContact O-N 3.48Å; F1099-G1101 VanDerWaalsContact C-N 3.34Å; F1099-G1101 PolarHBondContact O-N 3.37Å; F1099-L1102 HydrophobicContact CD1-CD1 4.36Å; F1099-L1102 PolarHBondContact O-N 2.85Å; F1099-S1103 WeakPolarHBondContact O-CB 3.38Å; F1099-S1103 PolarHBondContact O-N 2.87Å |
| 1100 | Y | 90.3 | Very high | 86.7 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 172.4 | -67.4 | -44.2 | 0 | 0 | 0 | 112.9 | F996 F1059 T1063 Q1066 A1096 R1097 I1098 S1103 L1104 | F996-Y1100 HydrophobicContact CZ-CD1 4.46Å; F996-Y1100 WeakPolarHBondContact CZ-O 3.49Å; F1059-Y1100 AromaticContact CD2-CD1 3.76Å; F1059-Y1100 HydrophobicContact CD2-CD1 3.76Å; F1059-Y1100 AromaticContact CD2-CE1 3.95Å; F1059-Y1100 HydrophobicContact CD2-CE1 3.95Å; F1059-Y1100 HydrophobicContact CE1-CE1 4.37Å; F1059-Y1100 AromaticContact CE2-CD1 3.76Å; F1059-Y1100 HydrophobicContact CE2-CD1 3.76Å; F1059-Y1100 AromaticContact CE2-CE1 3.74Å; F1059-Y1100 HydrophobicContact CE2-CE1 3.74Å; F1059-Y1100 HydrophobicContact CG-CD1 4.44Å; F1059-Y1100 HydrophobicContact CG-CE1 4.35Å; F1059-Y1100 HydrophobicContact CZ-CD1 4.45Å; F1059-Y1100 AromaticContact CZ-CE1 3.96Å; F1059-Y1100 HydrophobicContact CZ-CE1 3.96Å; T1063-Y1100 VanDerWaalsContact CA-OH 3.3Å; T1063-Y1100 WeakPolarHBondContact CA-OH 3.43Å; T1063-Y1100 HydrophobicContact CG2-CE1 3.95Å; T1063-Y1100 VanDerWaalsContact CG2-OH 3.3Å; T1063-Y1100 WeakPolarHBondContact CG2-OH 3.32Å; T1063-Y1100 PolarHBondContact N-OH 3.44Å; Q1066-Y1100 PolarHBondContact OE1-OH 3.44Å; A1096-Y1100 WeakPolarHBondContact O-CD2 3.31Å; A1096-Y1100 PolarHBondContact O-N 3.41Å; R1097-Y1100 PolarHBondContact O-N 3.17Å; I1098-Y1100 PolarHBondContact O-N 3.34Å; Y1100-S1103 WeakPolarHBondContact O-CB 3.41Å; Y1100-S1103 PolarHBondContact O-N 3.27Å; Y1100-L1104 WeakPolarHBondContact O-CB 3.25Å; Y1100-L1104 PolarHBondContact O-N 2.75Å |
| 1101 | G | 91.1 | Very high | 87.4 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1097 I1098 F1099 L1104 C1105 | R1097-G1101 PolarHBondContact O-N 3.27Å; I1098-G1101 PolarHBondContact O-N 3.24Å; F1099-G1101 VanDerWaalsContact C-N 3.34Å; F1099-G1101 PolarHBondContact O-N 3.37Å; G1101-L1104 PolarHBondContact O-N 2.92Å; G1101-C1105 WeakPolarHBondContact O-CB 3.44Å; G1101-C1105 PolarHBondContact O-N 3.43Å |
| 1102 | L | 91.9 | Very high | 87.9 | Confident | 87 Ų | 87 | 52.9 Ų | 52.9 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 174.6 | -71.2 | 172.2 | 0 | 0 | 0 | 111.7 | I1058 I1098 F1099 C1105 I1106 | I1058-L1102 HydrophobicContact CG2-CB 3.93Å; I1098-L1102 HydrophobicContact CG2-CD1 4.06Å; I1098-L1102 HydrophobicContact CG2-CG 4.42Å; I1098-L1102 WeakPolarHBondContact O-CG 3.29Å; I1098-L1102 PolarHBondContact O-N 2.96Å; F1099-L1102 HydrophobicContact CD1-CD1 4.36Å; F1099-L1102 PolarHBondContact O-N 2.85Å; L1102-C1105 PolarHBondContact O-N 3.17Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.49Å; L1102-I1106 PolarHBondContact O-N 3.26Å; L1102-I1106 VanDerWaalsContact O-N 3.14Å |
| 1103 | S | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 174.7 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | A1055 F1099 Y1100 C1105 I1106 F1107 | A1055-S1103 WeakPolarHBondContact O-CB 3.36Å; A1055-S1103 PolarHBondContact O-OG 3.18Å; F1099-S1103 WeakPolarHBondContact O-CB 3.38Å; F1099-S1103 PolarHBondContact O-N 2.87Å; Y1100-S1103 WeakPolarHBondContact O-CB 3.41Å; Y1100-S1103 PolarHBondContact O-N 3.27Å; S1103-C1105 VanDerWaalsContact C-N 3.35Å; S1103-C1105 PolarHBondContact O-N 3.48Å; S1103-I1106 PolarHBondContact O-N 2.7Å; S1103-F1107 WeakPolarHBondContact O-CD2 3.38Å; S1103-F1107 PolarHBondContact O-N 2.89Å; S1103-F1107 VanDerWaalsContact OG-CE2 3.3Å; S1103-F1107 WeakPolarHBondContact OG-CE2 3.48Å |
| 1104 | L | 92.3 | Very high | 88.4 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 177.8 | 179.7 | 61.3 | 0 | 0 | 0 | 111.9 | L993 F996 L1000 Y1100 G1101 I1106 F1107 Y1108 | L993-L1104 HydrophobicContact CD2-CD1 4.12Å; F996-L1104 HydrophobicContact CB-CD1 4.15Å; F996-L1104 HydrophobicContact CD1-CB 4.03Å; F996-L1104 HydrophobicContact CD1-CD1 3.57Å; F996-L1104 HydrophobicContact CD1-CG 4.34Å; F996-L1104 HydrophobicContact CE1-CB 3.7Å; F996-L1104 HydrophobicContact CE1-CD1 4.16Å; F996-L1104 HydrophobicContact CE1-CG 4.5Å; F996-L1104 HydrophobicContact CG-CD1 3.97Å; F996-L1104 HydrophobicContact CZ-CB 4.1Å; L1000-L1104 HydrophobicContact CD2-CD2 3.78Å; Y1100-L1104 WeakPolarHBondContact O-CB 3.25Å; Y1100-L1104 PolarHBondContact O-N 2.75Å; G1101-L1104 PolarHBondContact O-N 2.92Å; L1104-I1106 PolarHBondContact O-N 3.3Å; L1104-F1107 PolarHBondContact O-N 3.31Å; L1104-Y1108 HydrophobicContact CD1-CD2 3.95Å; L1104-Y1108 HydrophobicContact CD1-CE2 3.61Å; L1104-Y1108 HydrophobicContact CD2-CE2 4.25Å; L1104-Y1108 HydrophobicContact CG-CD2 3.95Å; L1104-Y1108 HydrophobicContact CG-CE2 3.76Å; L1104-Y1108 WeakPolarHBondContact O-CD2 3.21Å; L1104-Y1108 PolarHBondContact O-N 3.27Å |
| 1105 | C | 91.6 | Very high | 88.5 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 45% | 0.446 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 177.8 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | G1101 L1102 S1103 F1107 Y1108 H1109 | G1101-C1105 WeakPolarHBondContact O-CB 3.44Å; G1101-C1105 PolarHBondContact O-N 3.43Å; L1102-C1105 PolarHBondContact O-N 3.17Å; S1103-C1105 VanDerWaalsContact C-N 3.35Å; S1103-C1105 PolarHBondContact O-N 3.48Å; C1105-F1107 VanDerWaalsContact C-N 3.33Å; C1105-F1107 PolarHBondContact O-N 2.95Å; C1105-Y1108 PolarHBondContact O-N 3.47Å; C1105-H1109 PolarHBondContact O-N 3.19Å; C1105-H1109 PolarHBondContact O-ND1 2.96Å |
| 1106 | I | 91.8 | Very high | 88.4 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.8 | -35.7 | 178.3 | -60.1 | 165.3 | 0 | 0 | 0 | 110.7 | L1051 A1055 I1058 L1102 S1103 L1104 H1109 | L1051-I1106 HydrophobicContact CB-CG2 4Å; L1051-I1106 HydrophobicContact CD2-CG2 4.33Å; L1051-I1106 WeakPolarHBondContact O-CG2 3.43Å; A1055-I1106 HydrophobicContact CB-CB 3.92Å; A1055-I1106 HydrophobicContact CB-CG2 3.84Å; I1058-I1106 HydrophobicContact CD1-CD1 3.59Å; L1102-I1106 WeakPolarHBondContact O-CG1 3.49Å; L1102-I1106 PolarHBondContact O-N 3.26Å; L1102-I1106 VanDerWaalsContact O-N 3.14Å; S1103-I1106 PolarHBondContact O-N 2.7Å; L1104-I1106 PolarHBondContact O-N 3.3Å; I1106-H1109 PolarHBondContact O-N 2.88Å |
| 1107 | F | 90.9 | Very high | 88.3 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 171.6 | -76.5 | -53.8 | 0 | 0 | 0 | 112.1 | Y989 F992 L993 F996 A1055 I1056 S1103 L1104 C1105 H1109 R1110 | Y989-F1107 WeakPolarHBondContact OH-CA 3.3Å; Y989-F1107 WeakPolarHBondContact OH-CB 3.28Å; Y989-F1107 PolarHBondContact OH-O 3.08Å; F992-F1107 HydrophobicContact CE1-CB 4.26Å; F992-F1107 HydrophobicContact CE1-CD1 4.27Å; F992-F1107 AromaticContact CE1-CD2 3.85Å; F992-F1107 HydrophobicContact CE1-CD2 3.85Å; F992-F1107 HydrophobicContact CE1-CE2 4.19Å; F992-F1107 AromaticContact CE1-CG 3.89Å; F992-F1107 HydrophobicContact CE1-CG 3.89Å; F992-F1107 AromaticContact CZ-CD2 3.91Å; F992-F1107 HydrophobicContact CZ-CD2 3.91Å; F992-F1107 AromaticContact CZ-CE2 3.88Å; F992-F1107 HydrophobicContact CZ-CE2 3.88Å; F992-F1107 HydrophobicContact CZ-CG 4.4Å; F992-F1107 HydrophobicContact CZ-CZ 4.34Å; L993-F1107 HydrophobicContact CD2-CB 3.79Å; F996-F1107 HydrophobicContact CD1-CD2 4.4Å; F996-F1107 HydrophobicContact CE1-CD2 4.1Å; F996-F1107 HydrophobicContact CE1-CE2 4.38Å; A1055-F1107 HydrophobicContact CB-CD1 3.86Å; A1055-F1107 HydrophobicContact CB-CD2 3.96Å; A1055-F1107 HydrophobicContact CB-CE1 3.7Å; A1055-F1107 HydrophobicContact CB-CE2 3.81Å; A1055-F1107 HydrophobicContact CB-CG 3.99Å; A1055-F1107 HydrophobicContact CB-CZ 3.68Å; I1056-F1107 HydrophobicContact CG1-CE1 4.42Å; I1056-F1107 HydrophobicContact CG1-CZ 3.94Å; S1103-F1107 WeakPolarHBondContact O-CD2 3.38Å; S1103-F1107 PolarHBondContact O-N 2.89Å; S1103-F1107 VanDerWaalsContact OG-CE2 3.3Å; S1103-F1107 WeakPolarHBondContact OG-CE2 3.48Å; L1104-F1107 PolarHBondContact O-N 3.31Å; C1105-F1107 VanDerWaalsContact C-N 3.33Å; C1105-F1107 PolarHBondContact O-N 2.95Å; F1107-H1109 VanDerWaalsContact C-N 3.25Å; F1107-H1109 PolarHBondContact O-N 2.8Å; F1107-R1110 WeakPolarHBondContact O-CB 3.44Å; F1107-R1110 PolarHBondContact O-N 3.02Å |
| 1108 | Y | 91.1 | Very high | 88.1 | Confident | 97 Ų | 97 | 47.8 Ų | 47.8 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -55.3 | -38 | 176 | -90.7 | -73.2 | 0 | 0 | 0 | 113.4 | L993 T997 L1104 C1105 R1110 I1111 | L993-Y1108 HydrophobicContact CB-CE1 4.31Å; L993-Y1108 HydrophobicContact CD1-CD1 4.04Å; L993-Y1108 HydrophobicContact CD1-CE1 4.12Å; L993-Y1108 HydrophobicContact CD2-CD1 4.49Å; L993-Y1108 HydrophobicContact CD2-CD2 4.32Å; L993-Y1108 HydrophobicContact CD2-CE2 4.44Å; L993-Y1108 HydrophobicContact CD2-CG 4.34Å; T997-Y1108 PolarHBondContact OG1-OH 3.48Å; L1104-Y1108 HydrophobicContact CD1-CD2 3.95Å; L1104-Y1108 HydrophobicContact CD1-CE2 3.61Å; L1104-Y1108 HydrophobicContact CD2-CE2 4.25Å; L1104-Y1108 HydrophobicContact CG-CD2 3.95Å; L1104-Y1108 HydrophobicContact CG-CE2 3.76Å; L1104-Y1108 WeakPolarHBondContact O-CD2 3.21Å; L1104-Y1108 PolarHBondContact O-N 3.27Å; C1105-Y1108 PolarHBondContact O-N 3.47Å; Y1108-R1110 PolarHBondContact O-N 2.99Å; Y1108-I1111 HydrophobicContact CD1-CD1 3.9Å; Y1108-I1111 HydrophobicContact CE1-CD1 4.47Å; Y1108-I1111 WeakPolarHBondContact O-CB 3.47Å; Y1108-I1111 WeakPolarHBondContact O-CG1 3.41Å; Y1108-I1111 PolarHBondContact O-N 2.56Å; Y1108-I1111 VanDerWaalsContact O-N 3.13Å |
| 1109 | H | 86.7 | Confident | 87.8 | Confident | 103 Ų | 103 | 47.9 Ų | 47.9 | 48% | 0.477 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.6 | -27.8 | 177.9 | -74.9 | 68.5 | 0 | 0 | 0 | 113.2 | W1048 C1105 I1106 F1107 I1111 L1112 | W1048-H1109 WeakPolarHBondContact CZ3-O 3.31Å; C1105-H1109 PolarHBondContact O-N 3.19Å; C1105-H1109 PolarHBondContact O-ND1 2.96Å; I1106-H1109 PolarHBondContact O-N 2.88Å; F1107-H1109 VanDerWaalsContact C-N 3.25Å; F1107-H1109 PolarHBondContact O-N 2.8Å; H1109-I1111 PolarHBondContact O-N 3.07Å; H1109-L1112 PolarHBondContact O-N 3.48Å |
| 1110 | R | 86.3 | Confident | 87.3 | Confident | 15 Ų | 15 | 55 Ų | 55 | 6% | 0.057 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21 | 177.8 | -163.6 | -158.9 | 174.9 | 147 | 8.4 | 113.2 | Y989 E1052 F1107 Y1108 L1112 E1113 | Y989-R1110 HydrophobicContact CE1-CB 4.22Å; Y989-R1110 VanDerWaalsContact CZ-CD 3.48Å; Y989-R1110 WeakPolarHBondContact OH-CD 3.35Å; E1052-R1110 VanDerWaalsContact CD-NH1 3.31Å; E1052-R1110 HydrophobicContact CG-CG 4.31Å; E1052-R1110 IonicContact OE1-CZ 3.9Å; E1052-R1110 IonicContact OE1-NE 3.84Å; E1052-R1110 PolarHBondContact OE1-NE 3.09Å; E1052-R1110 IonicContact OE1-NH1 3.22Å; E1052-R1110 IonicContact OE1-NH2 3.91Å; E1052-R1110 PolarHBondContact OE1-NH2 2.85Å; E1052-R1110 IonicContact OE2-CZ 3.14Å; E1052-R1110 IonicContact OE2-NE 3.86Å; E1052-R1110 IonicContact OE2-NH1 2.64Å; E1052-R1110 PolarHBondContact OE2-NH1 2.86Å; E1052-R1110 IonicContact OE2-NH2 3.51Å; E1052-R1110 PolarHBondContact OE2-NH2 3.28Å; F1107-R1110 WeakPolarHBondContact O-CB 3.44Å; F1107-R1110 PolarHBondContact O-N 3.02Å; Y1108-R1110 PolarHBondContact O-N 2.99Å; R1110-L1112 PolarHBondContact O-N 3.21Å; R1110-L1112 VanDerWaalsContact O-N 3.09Å; R1110-E1113 IonicContact NE-OE2 2.88Å; R1110-E1113 IonicContact NH2-OE2 2.68Å; R1110-E1113 VanDerWaalsContact O-CB 3.25Å; R1110-E1113 WeakPolarHBondContact O-CB 3.3Å; R1110-E1113 PolarHBondContact O-N 3.42Å |
| 1111 | I | 86.1 | Confident | 87.1 | Confident | 50 Ų | 50 | 57.7 Ų | 57.7 | 26% | 0.256 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.1 | -32.7 | 177.4 | -66.8 | 176.2 | 0 | 0 | 0 | 111.5 | Y989 L993 Y1108 H1109 E1113 L1114 F1115 | Y989-I1111 HydrophobicContact CE1-CG1 4.39Å; L993-I1111 HydrophobicContact CD1-CD1 3.69Å; L993-I1111 HydrophobicContact CD1-CG1 3.89Å; Y1108-I1111 HydrophobicContact CD1-CD1 3.9Å; Y1108-I1111 HydrophobicContact CE1-CD1 4.47Å; Y1108-I1111 WeakPolarHBondContact O-CB 3.47Å; Y1108-I1111 WeakPolarHBondContact O-CG1 3.41Å; Y1108-I1111 PolarHBondContact O-N 2.56Å; Y1108-I1111 VanDerWaalsContact O-N 3.13Å; H1109-I1111 PolarHBondContact O-N 3.07Å; I1111-E1113 PolarHBondContact O-N 2.94Å; I1111-L1114 HydrophobicContact CG2-CD1 4.48Å; I1111-L1114 VanDerWaalsContact O-CB 3.25Å; I1111-L1114 WeakPolarHBondContact O-CB 3.35Å; I1111-L1114 PolarHBondContact O-N 3.46Å; I1111-F1115 HydrophobicContact CG2-CE2 4.1Å; I1111-F1115 HydrophobicContact CG2-CZ 4.13Å |
| 1112 | L | 85.6 | Confident | 86.6 | Confident | 80 Ų | 80 | 56.5 Ų | 56.5 | 42% | 0.419 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.9 | -29.3 | 176.8 | -64.3 | 174.3 | 0 | 0 | 0 | 113.3 | W1048 H1109 R1110 L1114 F1115 | W1048-L1112 HydrophobicContact CH2-CB 3.5Å; W1048-L1112 HydrophobicContact CH2-CD1 3.95Å; W1048-L1112 HydrophobicContact CH2-CG 4.37Å; W1048-L1112 HydrophobicContact CZ2-CB 4.19Å; W1048-L1112 HydrophobicContact CZ3-CB 4.01Å; H1109-L1112 PolarHBondContact O-N 3.48Å; R1110-L1112 PolarHBondContact O-N 3.21Å; R1110-L1112 VanDerWaalsContact O-N 3.09Å; L1112-L1114 VanDerWaalsContact C-N 3.26Å; L1112-L1114 PolarHBondContact O-N 2.95Å; L1112-F1115 HydrophobicContact CD2-CD2 4.26Å; L1112-F1115 HydrophobicContact CD2-CE2 4.44Å; L1112-F1115 PolarHBondContact O-N 2.99Å |
| 1113 | E | 83.7 | Confident | 86.1 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -33.2 | 173.7 | -169.1 | -179.9 | -138.6 | 0 | 0 | 111.2 | W1048 K1049 R1110 I1111 F1115 T1116 | W1048-E1113 HydrophobicContact CD2-CB 4.24Å; W1048-E1113 HydrophobicContact CG-CB 4.33Å; W1048-E1113 HydrophobicContact CG-CG 4.27Å; K1049-E1113 IonicContact NZ-OE1 3.42Å; K1049-E1113 PolarHBondContact NZ-OE1 3.24Å; K1049-E1113 IonicContact NZ-OE2 3.81Å; K1049-E1113 PolarHBondContact NZ-OE2 3.47Å; R1110-E1113 IonicContact NE-OE2 2.88Å; R1110-E1113 IonicContact NH2-OE2 2.68Å; R1110-E1113 VanDerWaalsContact O-CB 3.25Å; R1110-E1113 WeakPolarHBondContact O-CB 3.3Å; R1110-E1113 PolarHBondContact O-N 3.42Å; I1111-E1113 PolarHBondContact O-N 2.94Å; E1113-F1115 VanDerWaalsContact C-N 3.33Å; E1113-F1115 PolarHBondContact O-N 2.86Å; E1113-T1116 WeakPolarHBondContact O-CB 3.42Å; E1113-T1116 WeakPolarHBondContact O-CG2 3.35Å; E1113-T1116 PolarHBondContact O-N 3.04Å; E1113-T1116 PolarHBondContact O-OG1 3.37Å |
| 1114 | L | 83.6 | Confident | 85.7 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 14% | 0.141 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.4 | -32.4 | -179.6 | -58.1 | 172.7 | 0 | 0 | 0 | 112.5 | F982 T986 Y989 I1111 L1112 T1116 | F982-L1114 HydrophobicContact CE2-CD2 4.17Å; T986-L1114 HydrophobicContact CG2-CD1 4.09Å; Y989-L1114 HydrophobicContact CD1-CD1 4.41Å; I1111-L1114 HydrophobicContact CG2-CD1 4.48Å; I1111-L1114 VanDerWaalsContact O-CB 3.25Å; I1111-L1114 WeakPolarHBondContact O-CB 3.35Å; I1111-L1114 PolarHBondContact O-N 3.46Å; L1112-L1114 VanDerWaalsContact C-N 3.26Å; L1112-L1114 PolarHBondContact O-N 2.95Å; L1114-T1116 PolarHBondContact O-N 3.49Å |
| 1115 | F | 85.7 | Confident | 85.4 | Confident | 93 Ų | 93 | 58.7 Ų | 58.7 | 41% | 0.408 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -71.3 | -14.8 | 178.2 | -60.9 | -44.6 | 0 | 0 | 0 | 113.2 | I1111 L1112 E1113 V1117 N1118 L1121 V1125 | I1111-F1115 HydrophobicContact CG2-CE2 4.1Å; I1111-F1115 HydrophobicContact CG2-CZ 4.13Å; L1112-F1115 HydrophobicContact CD2-CD2 4.26Å; L1112-F1115 HydrophobicContact CD2-CE2 4.44Å; L1112-F1115 PolarHBondContact O-N 2.99Å; E1113-F1115 VanDerWaalsContact C-N 3.33Å; E1113-F1115 PolarHBondContact O-N 2.86Å; F1115-V1117 PolarHBondContact O-N 3.02Å; F1115-N1118 PolarHBondContact O-N 3.15Å; F1115-N1118 VanDerWaalsContact O-N 3.13Å; F1115-L1121 HydrophobicContact CB-CB 4.12Å; F1115-L1121 HydrophobicContact CB-CD1 4.21Å; F1115-L1121 HydrophobicContact CD1-CD1 4.04Å; F1115-L1121 HydrophobicContact CG-CD1 4.21Å; F1115-V1125 HydrophobicContact CB-CG2 4.24Å |
| 1116 | T | 82.9 | Confident | 84.8 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -63.5 | -21.2 | 178.4 | 67.8 | 0 | 0 | 0 | 0 | 114.2 | E1113 L1114 N1118 V1125 | E1113-T1116 WeakPolarHBondContact O-CB 3.42Å; E1113-T1116 WeakPolarHBondContact O-CG2 3.35Å; E1113-T1116 PolarHBondContact O-N 3.04Å; E1113-T1116 PolarHBondContact O-OG1 3.37Å; L1114-T1116 PolarHBondContact O-N 3.49Å; T1116-N1118 VanDerWaalsContact C-N 3.33Å; T1116-V1125 HydrophobicContact CG2-CB 4.21Å; T1116-V1125 HydrophobicContact CG2-CG1 3.9Å |
| 1117 | V | 82.4 | Confident | 84.4 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 21% | 0.212 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -70.2 | -29.7 | 176.9 | -170.9 | 0 | 0 | 0 | 0 | 111.9 | W888 F982 F1115 I1264 | W888-V1117 HydrophobicContact CH2-CG1 3.97Å; W888-V1117 HydrophobicContact CZ2-CG1 3.89Å; F982-V1117 HydrophobicContact CD2-CG2 4.25Å; F982-V1117 HydrophobicContact CE1-CG1 4.48Å; F982-V1117 HydrophobicContact CE1-CG2 4.43Å; F982-V1117 HydrophobicContact CE2-CG2 3.56Å; F982-V1117 HydrophobicContact CZ-CB 4.18Å; F982-V1117 HydrophobicContact CZ-CG1 4.46Å; F982-V1117 HydrophobicContact CZ-CG2 3.66Å; F1115-V1117 PolarHBondContact O-N 3.02Å; V1117-I1264 HydrophobicContact CG2-CD1 4.46Å; V1117-I1264 HydrophobicContact CG2-CG2 4.05Å |
| 1118 | N | 83.7 | Confident | 84.2 | Confident | 73 Ų | 73 | 60 Ų | 60 | 39% | 0.39 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -77.2 | 131.4 | -176.4 | -175.9 | -23.6 | 0 | 0 | 0 | 111.1 | F1115 T1116 R1120 L1121 G1122 | F1115-N1118 PolarHBondContact O-N 3.15Å; F1115-N1118 VanDerWaalsContact O-N 3.13Å; T1116-N1118 VanDerWaalsContact C-N 3.33Å; N1118-R1120 PolarHBondContact O-N 2.68Å; N1118-R1120 PolarHBondContact OD1-N 3.24Å; N1118-L1121 HydrophobicContact CB-CB 4.22Å; N1118-L1121 HydrophobicContact CB-CD1 4.49Å; N1118-L1121 PolarHBondContact O-N 3Å; N1118-G1122 PolarHBondContact O-N 2.92Å |
| 1119 | I | 81.2 | Confident | 83.8 | Confident | 98 Ų | 98 | 58.1 Ų | 58.1 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.9 | 179.1 | -165.4 | 167.9 | 0 | 0 | 0 | 114.3 | W1257 | I1119-W1257 HydrophobicContact CB-CD2 4.25Å; I1119-W1257 HydrophobicContact CB-CH2 4.1Å; I1119-W1257 HydrophobicContact CB-CZ2 3.74Å; I1119-W1257 HydrophobicContact CD1-CD2 4.5Å; I1119-W1257 HydrophobicContact CD1-CE3 4.04Å; I1119-W1257 HydrophobicContact CD1-CH2 3.85Å; I1119-W1257 HydrophobicContact CD1-CZ2 4.36Å; I1119-W1257 HydrophobicContact CD1-CZ3 3.69Å; I1119-W1257 HydrophobicContact CG1-CD2 3.84Å; I1119-W1257 HydrophobicContact CG1-CE3 3.86Å; I1119-W1257 HydrophobicContact CG1-CG 4.46Å; I1119-W1257 HydrophobicContact CG1-CH2 4Å; I1119-W1257 HydrophobicContact CG1-CZ2 4.02Å; I1119-W1257 HydrophobicContact CG1-CZ3 3.94Å |
| 1120 | R | 82.9 | Confident | 83.7 | Confident | 204 Ų | 204 | 54.4 Ų | 54.4 | 77% | 0.77 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -43.2 | 179.5 | -59.9 | -172.5 | -175.3 | 174.4 | 1.2 | 113.2 | N1118 | N1118-R1120 PolarHBondContact O-N 2.68Å; N1118-R1120 PolarHBondContact OD1-N 3.24Å |
| 1121 | L | 85.3 | Confident | 83.8 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 36% | 0.356 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -83.6 | -28.5 | -174.4 | -61.2 | 173.1 | 0 | 0 | 0 | 113.1 | F1115 N1118 M1124 V1125 | F1115-L1121 HydrophobicContact CB-CB 4.12Å; F1115-L1121 HydrophobicContact CB-CD1 4.21Å; F1115-L1121 HydrophobicContact CD1-CD1 4.04Å; F1115-L1121 HydrophobicContact CG-CD1 4.21Å; N1118-L1121 HydrophobicContact CB-CB 4.22Å; N1118-L1121 HydrophobicContact CB-CD1 4.49Å; N1118-L1121 PolarHBondContact O-N 3Å; L1121-M1124 HydrophobicContact CD2-SD 4.34Å; L1121-M1124 WeakPolarHBondContact O-CB 3.48Å; L1121-M1124 PolarHBondContact O-N 2.84Å; L1121-M1124 VanDerWaalsContact O-N 3.1Å; L1121-V1125 PolarHBondContact O-N 2.91Å |
| 1122 | G | 81.1 | Confident | 83.9 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59 | -46.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1118 M1124 V1125 I1126 | N1118-G1122 PolarHBondContact O-N 2.92Å; G1122-M1124 VanDerWaalsContact C-N 3.28Å; G1122-M1124 PolarHBondContact O-N 2.9Å; G1122-V1125 PolarHBondContact O-N 3.23Å; G1122-I1126 WeakPolarHBondContact O-CG1 3.48Å; G1122-I1126 PolarHBondContact O-N 3.41Å |
| 1123 | P | 81.2 | Confident | 83.8 | Confident | 19 Ų | 19 | 56 Ų | 56 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.6 | -36.7 | 172.9 | -26.9 | 36.5 | 0 | 0 | 0 | 113.6 | I1126 M1127 W1257 | P1123-I1126 PolarHBondContact O-N 2.89Å; P1123-M1127 WeakPolarHBondContact O-CB 3.41Å; P1123-M1127 PolarHBondContact O-N 3.43Å; P1123-W1257 HydrophobicContact CG-CB 4.35Å |
| 1124 | M | 84.8 | Confident | 83.9 | Confident | 111 Ų | 111 | 62 Ų | 62 | 55% | 0.547 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 177.9 | -63.3 | 176.9 | 169 | 0 | 0 | 112 | L1121 G1122 I1126 M1127 V1128 | L1121-M1124 HydrophobicContact CD2-SD 4.34Å; L1121-M1124 WeakPolarHBondContact O-CB 3.48Å; L1121-M1124 PolarHBondContact O-N 2.84Å; L1121-M1124 VanDerWaalsContact O-N 3.1Å; G1122-M1124 VanDerWaalsContact C-N 3.28Å; G1122-M1124 PolarHBondContact O-N 2.9Å; M1124-I1126 PolarHBondContact O-N 3.37Å; M1124-M1127 WeakPolarHBondContact O-CB 3.49Å; M1124-M1127 PolarHBondContact O-N 3.03Å; M1124-V1128 WeakPolarHBondContact O-CG2 3.41Å; M1124-V1128 PolarHBondContact O-N 3.11Å |
| 1125 | V | 84.3 | Confident | 84.3 | Confident | 19 Ų | 19 | 61.6 Ų | 61.6 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | W1048 F1115 T1116 L1121 G1122 M1127 V1128 Q1129 | W1048-V1125 HydrophobicContact CZ2-CG1 4.01Å; F1115-V1125 HydrophobicContact CB-CG2 4.24Å; T1116-V1125 HydrophobicContact CG2-CB 4.21Å; T1116-V1125 HydrophobicContact CG2-CG1 3.9Å; L1121-V1125 PolarHBondContact O-N 2.91Å; G1122-V1125 PolarHBondContact O-N 3.23Å; V1125-M1127 VanDerWaalsContact C-N 3.3Å; V1125-M1127 PolarHBondContact O-N 2.95Å; V1125-V1128 PolarHBondContact O-N 3.14Å; V1125-Q1129 WeakPolarHBondContact O-CB 3.39Å; V1125-Q1129 PolarHBondContact O-N 3.49Å |
| 1126 | I | 80.5 | Confident | 84.5 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 18% | 0.179 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.3 | -35.5 | 176.2 | -66.3 | 168.9 | 0 | 0 | 0 | 111.4 | G1122 P1123 M1124 S1130 Q1260 | G1122-I1126 WeakPolarHBondContact O-CG1 3.48Å; G1122-I1126 PolarHBondContact O-N 3.41Å; P1123-I1126 PolarHBondContact O-N 2.89Å; M1124-I1126 PolarHBondContact O-N 3.37Å; I1126-S1130 WeakPolarHBondContact O-CB 3.28Å; I1126-S1130 PolarHBondContact O-N 2.9Å; I1126-S1130 PolarHBondContact O-OG 3.41Å; I1126-Q1260 HydrophobicContact CD1-CB 4.38Å; I1126-Q1260 HydrophobicContact CD1-CG 4.12Å |
| 1127 | M | 83.4 | Confident | 84.7 | Confident | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.5 | -49.4 | 176.9 | -177.1 | -170.5 | -73.9 | 0 | 0 | 111.6 | P1123 M1124 V1125 Q1129 S1130 M1131 Y1246 I1249 | P1123-M1127 WeakPolarHBondContact O-CB 3.41Å; P1123-M1127 PolarHBondContact O-N 3.43Å; M1124-M1127 WeakPolarHBondContact O-CB 3.49Å; M1124-M1127 PolarHBondContact O-N 3.03Å; V1125-M1127 VanDerWaalsContact C-N 3.3Å; V1125-M1127 PolarHBondContact O-N 2.95Å; M1127-Q1129 VanDerWaalsContact C-N 3.33Å; M1127-Q1129 PolarHBondContact O-N 3.26Å; M1127-S1130 WeakPolarHBondContact O-CB 3.49Å; M1127-S1130 PolarHBondContact O-N 3.06Å; M1127-M1131 HydrophobicContact CG-CE 3.71Å; M1127-M1131 HydrophobicContact CG-SD 4.21Å; M1127-M1131 WeakPolarHBondContact O-CG 3.49Å; M1127-M1131 PolarHBondContact O-N 2.79Å; M1127-M1131 HydrophobicContact SD-CE 4.04Å; M1127-Y1246 HydrophobicContact CE-CD2 3.63Å; M1127-Y1246 HydrophobicContact CE-CE2 3.74Å; M1127-Y1246 HydrophobicContact CE-CG 3.98Å; M1127-Y1246 HydrophobicContact SD-CD2 3.13Å; M1127-Y1246 WeakPolarHBondContact SD-CD2 3.43Å; M1127-Y1246 HydrophobicContact SD-CE2 3.56Å; M1127-Y1246 VanDerWaalsContact SD-CE2 3.56Å; M1127-Y1246 HydrophobicContact SD-CG 3.86Å; M1127-I1249 HydrophobicContact CB-CD1 4.41Å; M1127-I1249 HydrophobicContact CE-CB 4.39Å; M1127-I1249 HydrophobicContact CE-CG2 4.49Å; M1127-I1249 HydrophobicContact CG-CD1 4.4Å |
| 1128 | V | 86.4 | Confident | 85 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 173.6 | 171.9 | 0 | 0 | 0 | 0 | 111 | M1124 V1125 S1130 M1131 I1132 | M1124-V1128 WeakPolarHBondContact O-CG2 3.41Å; M1124-V1128 PolarHBondContact O-N 3.11Å; V1125-V1128 PolarHBondContact O-N 3.14Å; V1128-S1130 VanDerWaalsContact C-N 3.27Å; V1128-S1130 PolarHBondContact O-N 2.84Å; V1128-M1131 PolarHBondContact O-N 3.18Å; V1128-I1132 HydrophobicContact CG1-CD1 3.85Å; V1128-I1132 WeakPolarHBondContact O-CG1 3.23Å; V1128-I1132 PolarHBondContact O-N 3.04Å |
| 1129 | Q | 82.7 | Confident | 85.3 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 27% | 0.271 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.1 | -38.6 | 175 | -175.9 | -179.5 | 4.3 | 0 | 0 | 112.2 | L1047 V1125 M1127 V1133 | L1047-Q1129 HydrophobicContact CD2-CG 3.93Å; V1125-Q1129 WeakPolarHBondContact O-CB 3.39Å; V1125-Q1129 PolarHBondContact O-N 3.49Å; M1127-Q1129 VanDerWaalsContact C-N 3.33Å; M1127-Q1129 PolarHBondContact O-N 3.26Å; Q1129-V1133 WeakPolarHBondContact O-CG2 3.37Å; Q1129-V1133 PolarHBondContact O-N 2.8Å; Q1129-V1133 VanDerWaalsContact O-N 3.16Å |
| 1130 | S | 84.4 | Confident | 85.7 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.1 | -41.9 | 179.5 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | I1126 M1127 V1128 R1134 | I1126-S1130 WeakPolarHBondContact O-CB 3.28Å; I1126-S1130 PolarHBondContact O-N 2.9Å; I1126-S1130 PolarHBondContact O-OG 3.41Å; M1127-S1130 WeakPolarHBondContact O-CB 3.49Å; M1127-S1130 PolarHBondContact O-N 3.06Å; V1128-S1130 VanDerWaalsContact C-N 3.27Å; V1128-S1130 PolarHBondContact O-N 2.84Å; S1130-R1134 VanDerWaalsContact O-CB 3.26Å; S1130-R1134 WeakPolarHBondContact O-CB 3.36Å; S1130-R1134 WeakPolarHBondContact O-CG 3.39Å; S1130-R1134 PolarHBondContact O-N 3.27Å |
| 1131 | M | 88.8 | Confident | 85.9 | Confident | 31 Ų | 31 | 56 Ų | 56 | 15% | 0.153 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 175.4 | -69.6 | 162.8 | 169.6 | 0 | 0 | 111.3 | M1127 V1128 V1133 D1135 L1136 F1242 T1245 Y1246 | M1127-M1131 HydrophobicContact CG-CE 3.71Å; M1127-M1131 HydrophobicContact CG-SD 4.21Å; M1127-M1131 WeakPolarHBondContact O-CG 3.49Å; M1127-M1131 PolarHBondContact O-N 2.79Å; M1127-M1131 HydrophobicContact SD-CE 4.04Å; V1128-M1131 PolarHBondContact O-N 3.18Å; M1131-V1133 PolarHBondContact O-N 3.24Å; M1131-D1135 WeakPolarHBondContact O-CA 3.31Å; M1131-D1135 VanDerWaalsContact O-CB 3.31Å; M1131-D1135 WeakPolarHBondContact O-CB 3.44Å; M1131-D1135 PolarHBondContact O-N 2.77Å; M1131-L1136 PolarHBondContact O-N 2.87Å; M1131-F1242 HydrophobicContact CB-CD1 3.78Å; M1131-F1242 HydrophobicContact CB-CE1 3.95Å; M1131-F1242 HydrophobicContact CB-CG 4.48Å; M1131-F1242 HydrophobicContact CE-CB 4.37Å; M1131-F1242 WeakPolarHBondContact CE-O 3.43Å; M1131-F1242 HydrophobicContact CG-CB 4.46Å; M1131-F1242 HydrophobicContact CG-CD1 4.03Å; M1131-F1242 HydrophobicContact CG-CG 4.41Å; M1131-T1245 HydrophobicContact CG-CG2 3.82Å; M1131-Y1246 HydrophobicContact CE-CD2 4.47Å |
| 1132 | I | 86.5 | Confident | 86.1 | Confident | 75 Ų | 75 | 56.7 Ų | 56.7 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -60.9 | -49.3 | 178.6 | -67.9 | 167.1 | 0 | 0 | 0 | 111.1 | V1128 L1136 I1137 | V1128-I1132 HydrophobicContact CG1-CD1 3.85Å; V1128-I1132 WeakPolarHBondContact O-CG1 3.23Å; V1128-I1132 PolarHBondContact O-N 3.04Å; I1132-L1136 WeakPolarHBondContact O-CB 3.44Å; I1132-I1137 PolarHBondContact O-N 2.97Å |
| 1133 | V | 84.5 | Confident | 86.5 | Confident | 74 Ų | 74 | 58 Ų | 58 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -78.6 | -37.1 | -171.5 | 176 | 0 | 0 | 0 | 0 | 113.2 | Q1129 M1131 | Q1129-V1133 WeakPolarHBondContact O-CG2 3.37Å; Q1129-V1133 PolarHBondContact O-N 2.8Å; Q1129-V1133 VanDerWaalsContact O-N 3.16Å; M1131-V1133 PolarHBondContact O-N 3.24Å |
| 1134 | R | 86.3 | Confident | 86.9 | Confident | 151 Ų | 151 | 61.3 Ų | 61.3 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | I | π-helix | trans | -90.8 | -34.3 | -175.2 | -63.1 | 178.3 | 177.1 | -122.4 | -4.7 | 113.3 | S1130 P1138 | S1130-R1134 VanDerWaalsContact O-CB 3.26Å; S1130-R1134 WeakPolarHBondContact O-CB 3.36Å; S1130-R1134 WeakPolarHBondContact O-CG 3.39Å; S1130-R1134 PolarHBondContact O-N 3.27Å; R1134-P1138 WeakPolarHBondContact O-CG 3.03Å |
| 1135 | D | 91.4 | Very high | 87.2 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 10% | 0.096 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -112.5 | -44.7 | -164.7 | -50.1 | -27.7 | 0 | 0 | 0 | 110.7 | M1131 F1139 M1241 F1242 T1245 | M1131-D1135 WeakPolarHBondContact O-CA 3.31Å; M1131-D1135 VanDerWaalsContact O-CB 3.31Å; M1131-D1135 WeakPolarHBondContact O-CB 3.44Å; M1131-D1135 PolarHBondContact O-N 2.77Å; D1135-F1139 WeakPolarHBondContact O-CB 3.47Å; D1135-M1241 HydrophobicContact CB-CB 4.11Å; D1135-M1241 HydrophobicContact CB-CE 3.99Å; D1135-F1242 HydrophobicContact CB-CD1 3.77Å; D1135-F1242 HydrophobicContact CB-CE1 3.78Å; D1135-T1245 VanDerWaalsContact OD2-CB 3.32Å; D1135-T1245 WeakPolarHBondContact OD2-CB 3.4Å; D1135-T1245 PolarHBondContact OD2-OG1 3.41Å |
| 1136 | L | 90 | Very high | 87.5 | Confident | 53 Ų | 53 | 61.9 Ų | 61.9 | 28% | 0.277 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -77.2 | -42.6 | -177.3 | -176.3 | 63.7 | 0 | 0 | 0 | 114.6 | M1131 I1132 F1139 L1140 F1242 | M1131-L1136 PolarHBondContact O-N 2.87Å; I1132-L1136 WeakPolarHBondContact O-CB 3.44Å; L1136-F1139 HydrophobicContact CD1-CD1 4.32Å; L1136-F1139 WeakPolarHBondContact O-CB 3.39Å; L1136-F1139 PolarHBondContact O-N 2.88Å; L1136-L1140 HydrophobicContact CD1-CD1 4.49Å; L1136-L1140 HydrophobicContact CD1-CG 4.28Å; L1136-L1140 HydrophobicContact CG-CD1 4.1Å; L1136-L1140 HydrophobicContact CG-CG 4.34Å; L1136-L1140 WeakPolarHBondContact O-CG 3.06Å; L1136-L1140 PolarHBondContact O-N 2.98Å; L1136-F1242 HydrophobicContact CB-CE1 4.27Å; L1136-F1242 HydrophobicContact CB-CZ 4.22Å; L1136-F1242 HydrophobicContact CD1-CZ 4.43Å |
| 1137 | I | 87.3 | Confident | 88 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | -178.5 | -69.4 | 172.3 | 0 | 0 | 0 | 112.5 | I1132 F1139 L1140 A1141 | I1132-I1137 PolarHBondContact O-N 2.97Å; I1137-F1139 VanDerWaalsContact C-N 3.27Å; I1137-F1139 PolarHBondContact O-N 3.49Å; I1137-L1140 PolarHBondContact O-N 3.08Å; I1137-A1141 PolarHBondContact O-N 3.42Å |
| 1138 | P | 87.6 | Confident | 88.3 | Confident | 73 Ų | 73 | 61.4 Ų | 61.4 | 47% | 0.474 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -35.5 | 174.9 | -24.3 | 36.2 | 0 | 0 | 0 | 112.9 | R1134 A1141 L1142 | R1134-P1138 WeakPolarHBondContact O-CG 3.03Å; P1138-A1141 PolarHBondContact O-N 3.07Å; P1138-L1142 PolarHBondContact O-N 3.36Å |
| 1139 | F | 90.7 | Very high | 88.6 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 11% | 0.114 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 175.9 | 175.1 | -97.9 | 0 | 0 | 0 | 112.6 | D1135 L1136 I1137 A1141 L1142 F1143 L1234 V1238 | D1135-F1139 WeakPolarHBondContact O-CB 3.47Å; L1136-F1139 HydrophobicContact CD1-CD1 4.32Å; L1136-F1139 WeakPolarHBondContact O-CB 3.39Å; L1136-F1139 PolarHBondContact O-N 2.88Å; I1137-F1139 VanDerWaalsContact C-N 3.27Å; I1137-F1139 PolarHBondContact O-N 3.49Å; F1139-A1141 VanDerWaalsContact C-N 3.27Å; F1139-A1141 PolarHBondContact O-N 3.23Å; F1139-L1142 WeakPolarHBondContact O-CB 3.37Å; F1139-L1142 PolarHBondContact O-N 2.86Å; F1139-F1143 PolarHBondContact O-N 3.41Å; F1139-L1234 HydrophobicContact CE2-CB 3.76Å; F1139-L1234 HydrophobicContact CE2-CD2 4.38Å; F1139-L1234 WeakPolarHBondContact CE2-O 3.1Å; F1139-L1234 HydrophobicContact CZ-CB 3.86Å; F1139-V1238 HydrophobicContact CD1-CG2 3.85Å; F1139-V1238 HydrophobicContact CD2-CB 4.36Å; F1139-V1238 HydrophobicContact CD2-CG2 3.66Å; F1139-V1238 HydrophobicContact CE1-CG2 3.65Å; F1139-V1238 HydrophobicContact CE2-CG2 3.44Å; F1139-V1238 VanDerWaalsContact CE2-CG2 3.44Å; F1139-V1238 HydrophobicContact CG-CB 4.33Å; F1139-V1238 HydrophobicContact CG-CG2 3.85Å; F1139-V1238 HydrophobicContact CZ-CG2 3.43Å; F1139-V1238 VanDerWaalsContact CZ-CG2 3.43Å |
| 1140 | L | 88.8 | Confident | 89 | Confident | 82 Ų | 82 | 57.7 Ų | 57.7 | 43% | 0.429 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.7 | -35.6 | 177.1 | -75.4 | 170.2 | 0 | 0 | 0 | 112.4 | L1136 I1137 F1143 T1144 | L1136-L1140 HydrophobicContact CD1-CD1 4.49Å; L1136-L1140 HydrophobicContact CD1-CG 4.28Å; L1136-L1140 HydrophobicContact CG-CD1 4.1Å; L1136-L1140 HydrophobicContact CG-CG 4.34Å; L1136-L1140 WeakPolarHBondContact O-CG 3.06Å; L1136-L1140 PolarHBondContact O-N 2.98Å; I1137-L1140 PolarHBondContact O-N 3.08Å; L1140-F1143 WeakPolarHBondContact O-CB 3.28Å; L1140-F1143 PolarHBondContact O-N 2.87Å; L1140-T1144 PolarHBondContact O-N 3.39Å; L1140-T1144 PolarHBondContact O-OG1 2.93Å; L1140-T1144 VanDerWaalsContact O-OG1 3.08Å |
| 1141 | A | 88 | Confident | 89.2 | Confident | 61 Ų | 61 | 56.7 Ų | 56.7 | 50% | 0.504 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1137 P1138 F1139 F1143 V1145 | I1137-A1141 PolarHBondContact O-N 3.42Å; P1138-A1141 PolarHBondContact O-N 3.07Å; F1139-A1141 VanDerWaalsContact C-N 3.27Å; F1139-A1141 PolarHBondContact O-N 3.23Å; A1141-F1143 VanDerWaalsContact C-N 3.32Å; A1141-V1145 WeakPolarHBondContact O-CG2 3.2Å; A1141-V1145 PolarHBondContact O-N 3.02Å |
| 1142 | L | 89.3 | Confident | 89.3 | Confident | 83 Ų | 83 | 60.6 Ų | 60.6 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 172.7 | 177.9 | 64.1 | 0 | 0 | 0 | 111.1 | P1138 F1139 V1146 L1234 | P1138-L1142 PolarHBondContact O-N 3.36Å; F1139-L1142 WeakPolarHBondContact O-CB 3.37Å; F1139-L1142 PolarHBondContact O-N 2.86Å; L1142-V1146 PolarHBondContact O-N 3.38Å; L1142-L1234 HydrophobicContact CD2-CD2 3.71Å; L1142-L1234 HydrophobicContact CG-CD2 4.14Å |
| 1143 | F | 90.6 | Very high | 89.4 | Confident | 30 Ų | 30 | 61 Ų | 61 | 13% | 0.132 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 178.7 | -176.3 | -104.6 | 0 | 0 | 0 | 112.5 | F1139 L1140 A1141 V1145 V1146 V1147 Y1182 V1185 L1234 | F1139-F1143 PolarHBondContact O-N 3.41Å; L1140-F1143 WeakPolarHBondContact O-CB 3.28Å; L1140-F1143 PolarHBondContact O-N 2.87Å; A1141-F1143 VanDerWaalsContact C-N 3.32Å; F1143-V1145 VanDerWaalsContact C-N 3.31Å; F1143-V1145 PolarHBondContact O-N 2.69Å; F1143-V1146 PolarHBondContact O-N 3.13Å; F1143-V1146 VanDerWaalsContact O-N 3.15Å; F1143-V1147 HydrophobicContact CD1-CG2 3.97Å; F1143-V1147 HydrophobicContact CD2-CG2 4.4Å; F1143-V1147 HydrophobicContact CE1-CG2 3.65Å; F1143-V1147 HydrophobicContact CE2-CG2 4.11Å; F1143-V1147 HydrophobicContact CG-CG2 4.33Å; F1143-V1147 HydrophobicContact CZ-CG2 3.73Å; F1143-V1147 WeakPolarHBondContact O-CG2 3.34Å; F1143-V1147 PolarHBondContact O-N 3.45Å; F1143-Y1182 HydrophobicContact CE1-CD2 4.2Å; F1143-Y1182 HydrophobicContact CE1-CE2 4.15Å; F1143-V1185 HydrophobicContact CE2-CG1 4.05Å; F1143-V1185 HydrophobicContact CE2-CG2 4.19Å; F1143-V1185 HydrophobicContact CZ-CB 4.36Å; F1143-V1185 HydrophobicContact CZ-CG1 4.1Å; F1143-V1185 HydrophobicContact CZ-CG2 3.95Å; F1143-L1234 HydrophobicContact CD2-CD1 4.14Å |
| 1144 | T | 87.9 | Confident | 89.5 | Confident | 87 Ų | 87 | 57.7 Ų | 57.7 | 53% | 0.534 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60 | -37.3 | -180 | -57 | 0 | 0 | 0 | 0 | 113 | L1140 V1147 A1148 | L1140-T1144 PolarHBondContact O-N 3.39Å; L1140-T1144 PolarHBondContact O-OG1 2.93Å; L1140-T1144 VanDerWaalsContact O-OG1 3.08Å; T1144-V1147 PolarHBondContact O-N 3.23Å; T1144-A1148 VanDerWaalsContact O-CB 3.28Å; T1144-A1148 WeakPolarHBondContact O-CB 3.48Å; T1144-A1148 PolarHBondContact O-N 3.21Å |
| 1145 | V | 91.2 | Very high | 89.5 | Confident | 108 Ų | 108 | 52.1 Ų | 52.1 | 66% | 0.655 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 176.9 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | A1141 F1143 G1149 | A1141-V1145 WeakPolarHBondContact O-CG2 3.2Å; A1141-V1145 PolarHBondContact O-N 3.02Å; F1143-V1145 VanDerWaalsContact C-N 3.31Å; F1143-V1145 PolarHBondContact O-N 2.69Å; V1145-G1149 PolarHBondContact O-N 3.01Å |
| 1146 | V | 90.7 | Very high | 89.2 | Confident | 34 Ų | 34 | 56.3 Ų | 56.3 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 177.9 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | L1142 F1143 F1150 Y1226 L1229 T1230 L1234 | L1142-V1146 PolarHBondContact O-N 3.38Å; F1143-V1146 PolarHBondContact O-N 3.13Å; F1143-V1146 VanDerWaalsContact O-N 3.15Å; V1146-F1150 WeakPolarHBondContact O-CB 3.13Å; V1146-F1150 PolarHBondContact O-N 3.09Å; V1146-F1150 VanDerWaalsContact O-N 3.1Å; V1146-Y1226 HydrophobicContact CG1-CD2 4.29Å; V1146-Y1226 HydrophobicContact CG1-CE2 4.01Å; V1146-L1229 HydrophobicContact CG1-CD2 3.55Å; V1146-L1229 HydrophobicContact CG2-CD2 4.14Å; V1146-T1230 HydrophobicContact CG1-CG2 4.16Å; V1146-L1234 HydrophobicContact CG2-CD1 4.43Å |
| 1147 | V | 91.1 | Very high | 89 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | F1143 T1144 F1150 A1151 A1181 Y1226 | F1143-V1147 HydrophobicContact CD1-CG2 3.97Å; F1143-V1147 HydrophobicContact CD2-CG2 4.4Å; F1143-V1147 HydrophobicContact CE1-CG2 3.65Å; F1143-V1147 HydrophobicContact CE2-CG2 4.11Å; F1143-V1147 HydrophobicContact CG-CG2 4.33Å; F1143-V1147 HydrophobicContact CZ-CG2 3.73Å; F1143-V1147 WeakPolarHBondContact O-CG2 3.34Å; F1143-V1147 PolarHBondContact O-N 3.45Å; T1144-V1147 PolarHBondContact O-N 3.23Å; V1147-F1150 PolarHBondContact O-N 3.25Å; V1147-A1151 WeakPolarHBondContact O-CB 3.21Å; V1147-A1151 PolarHBondContact O-N 3.04Å; V1147-A1181 HydrophobicContact CG1-CB 4.04Å; V1147-Y1226 WeakPolarHBondContact CG2-OH 3.36Å |
| 1148 | A | 90.6 | Very high | 88.7 | Confident | 30 Ų | 30 | 50.2 Ų | 50.2 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69 | -38.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1144 F1150 A1151 I1152 L1178 | T1144-A1148 VanDerWaalsContact O-CB 3.28Å; T1144-A1148 WeakPolarHBondContact O-CB 3.48Å; T1144-A1148 PolarHBondContact O-N 3.21Å; A1148-F1150 VanDerWaalsContact C-N 3.35Å; A1148-A1151 PolarHBondContact O-N 2.87Å; A1148-I1152 WeakPolarHBondContact O-CG1 3.17Å; A1148-I1152 PolarHBondContact O-N 3.11Å; A1148-L1178 HydrophobicContact CB-CD2 3.95Å |
| 1149 | G | 91.1 | Very high | 88.3 | Confident | 44 Ų | 44 | 48 Ų | 48 | 45% | 0.454 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1145 L1153 | V1145-G1149 PolarHBondContact O-N 3.01Å; G1149-L1153 WeakPolarHBondContact O-CB 3.4Å; G1149-L1153 PolarHBondContact O-N 2.97Å |
| 1150 | F | 92.2 | Very high | 87.4 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 8% | 0.075 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67 | -45.1 | 175.8 | -179.8 | -114.1 | 0 | 0 | 0 | 112.5 | V1146 V1147 A1148 I1152 L1153 Q1154 A1181 L1222 L1223 Y1226 | V1146-F1150 WeakPolarHBondContact O-CB 3.13Å; V1146-F1150 PolarHBondContact O-N 3.09Å; V1146-F1150 VanDerWaalsContact O-N 3.1Å; V1147-F1150 PolarHBondContact O-N 3.25Å; A1148-F1150 VanDerWaalsContact C-N 3.35Å; F1150-I1152 PolarHBondContact O-N 3.1Å; F1150-L1153 PolarHBondContact O-N 2.89Å; F1150-Q1154 VanDerWaalsContact CZ-OE1 3.32Å; F1150-Q1154 WeakPolarHBondContact O-CB 3.31Å; F1150-Q1154 PolarHBondContact O-N 3.49Å; F1150-A1181 HydrophobicContact CD1-CB 4.05Å; F1150-L1222 HydrophobicContact CE2-CB 4.06Å; F1150-L1222 WeakPolarHBondContact CE2-O 3.33Å; F1150-L1223 HydrophobicContact CE1-CD1 4.2Å; F1150-L1223 HydrophobicContact CZ-CB 4.26Å; F1150-L1223 HydrophobicContact CZ-CD1 3.93Å; F1150-Y1226 HydrophobicContact CB-CD2 3.64Å; F1150-Y1226 HydrophobicContact CB-CE2 3.62Å; F1150-Y1226 HydrophobicContact CB-CG 4.38Å; F1150-Y1226 AromaticContact CD1-CD1 3.5Å; F1150-Y1226 HydrophobicContact CD1-CD1 3.5Å; F1150-Y1226 VanDerWaalsContact CD1-CD1 3.5Å; F1150-Y1226 AromaticContact CD1-CD2 3.52Å; F1150-Y1226 HydrophobicContact CD1-CD2 3.52Å; F1150-Y1226 AromaticContact CD1-CE1 3.48Å; F1150-Y1226 HydrophobicContact CD1-CE1 3.48Å; F1150-Y1226 VanDerWaalsContact CD1-CE1 3.48Å; F1150-Y1226 AromaticContact CD1-CE2 3.51Å; F1150-Y1226 HydrophobicContact CD1-CE2 3.51Å; F1150-Y1226 AromaticContact CD1-CG 3.48Å; F1150-Y1226 HydrophobicContact CD1-CG 3.48Å; F1150-Y1226 VanDerWaalsContact CD1-CG 3.48Å; F1150-Y1226 AromaticContact CD1-CZ 3.46Å; F1150-Y1226 VanDerWaalsContact CD1-CZ 3.46Å; F1150-Y1226 AromaticContact CD2-CD2 3.94Å; F1150-Y1226 HydrophobicContact CD2-CD2 3.94Å; F1150-Y1226 AromaticContact CD2-CG 3.89Å; F1150-Y1226 HydrophobicContact CD2-CG 3.89Å; F1150-Y1226 AromaticContact CE1-CD1 3.31Å; F1150-Y1226 HydrophobicContact CE1-CD1 3.31Å; F1150-Y1226 HydrophobicContact CE1-CD2 4.13Å; F1150-Y1226 AromaticContact CE1-CE1 3.57Å; F1150-Y1226 HydrophobicContact CE1-CE1 3.57Å; F1150-Y1226 HydrophobicContact CE1-CE2 4.35Å; F1150-Y1226 AromaticContact CE1-CG 3.58Å; F1150-Y1226 HydrophobicContact CE1-CG 3.58Å; F1150-Y1226 HydrophobicContact CE2-CD1 4.48Å; F1150-Y1226 HydrophobicContact CE2-CG 4.01Å; F1150-Y1226 HydrophobicContact CG-CD1 4.16Å; F1150-Y1226 AromaticContact CG-CD2 3.4Å; F1150-Y1226 HydrophobicContact CG-CD2 3.4Å; F1150-Y1226 VanDerWaalsContact CG-CD2 3.4Å; F1150-Y1226 HydrophobicContact CG-CE1 4.38Å; F1150-Y1226 AromaticContact CG-CE2 3.67Å; F1150-Y1226 HydrophobicContact CG-CE2 3.67Å; F1150-Y1226 AromaticContact CG-CG 3.64Å; F1150-Y1226 HydrophobicContact CG-CG 3.64Å; F1150-Y1226 AromaticContact CZ-CD1 3.87Å; F1150-Y1226 HydrophobicContact CZ-CD1 3.87Å; F1150-Y1226 AromaticContact CZ-CG 3.87Å; F1150-Y1226 HydrophobicContact CZ-CG 3.87Å |
| 1151 | A | 89.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 2% | 0.017 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.7 | -48.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | V1147 A1148 W1155 L1178 A1181 | V1147-A1151 WeakPolarHBondContact O-CB 3.21Å; V1147-A1151 PolarHBondContact O-N 3.04Å; A1148-A1151 PolarHBondContact O-N 2.87Å; A1151-W1155 WeakPolarHBondContact O-CB 3.34Å; A1151-W1155 PolarHBondContact O-N 3.4Å; A1151-L1178 HydrophobicContact CB-CD2 3.82Å; A1151-L1178 HydrophobicContact CB-CG 4.4Å; A1151-A1181 HydrophobicContact CB-CB 3.5Å |
| 1152 | I | 89.2 | Confident | 85.5 | Confident | 113 Ų | 113 | 52.4 Ų | 52.4 | 58% | 0.579 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.3 | -44.8 | -179.9 | -63.7 | 169.1 | 0 | 0 | 0 | 110.3 | A1148 F1150 Q1154 W1155 V1156 | A1148-I1152 WeakPolarHBondContact O-CG1 3.17Å; A1148-I1152 PolarHBondContact O-N 3.11Å; F1150-I1152 PolarHBondContact O-N 3.1Å; I1152-Q1154 PolarHBondContact O-N 3.12Å; I1152-W1155 PolarHBondContact O-N 3.45Å; I1152-V1156 HydrophobicContact CG2-CG2 4.42Å; I1152-V1156 WeakPolarHBondContact O-CB 3.47Å; I1152-V1156 VanDerWaalsContact O-CG2 3.29Å; I1152-V1156 WeakPolarHBondContact O-CG2 3.38Å; I1152-V1156 PolarHBondContact O-N 2.91Å |
| 1153 | L | 90 | Very high | 84.4 | Confident | 84 Ų | 84 | 52 Ų | 52 | 44% | 0.44 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.3 | -50 | 179.1 | 179 | 61.5 | 0 | 0 | 0 | 111.3 | G1149 F1150 W1155 V1156 T1157 L1222 | G1149-L1153 WeakPolarHBondContact O-CB 3.4Å; G1149-L1153 PolarHBondContact O-N 2.97Å; F1150-L1153 PolarHBondContact O-N 2.89Å; L1153-W1155 PolarHBondContact O-N 2.93Å; L1153-V1156 PolarHBondContact O-N 3.29Å; L1153-T1157 WeakPolarHBondContact O-CG2 3.34Å; L1153-T1157 PolarHBondContact O-N 3.03Å; L1153-T1157 PolarHBondContact O-OG1 3.12Å; L1153-L1222 HydrophobicContact CD2-CD1 4.18Å; L1153-L1222 HydrophobicContact CD2-CD2 3.81Å; L1153-L1222 HydrophobicContact CG-CD1 4.02Å |
| 1154 | Q | 86.9 | Confident | 83.2 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 2% | 0.023 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -39.3 | -179.2 | -172.8 | 174.8 | 19.3 | 0 | 0 | 112.5 | F1150 I1152 T1157 A1158 L1194 | F1150-Q1154 VanDerWaalsContact CZ-OE1 3.32Å; F1150-Q1154 WeakPolarHBondContact O-CB 3.31Å; F1150-Q1154 PolarHBondContact O-N 3.49Å; I1152-Q1154 PolarHBondContact O-N 3.12Å; Q1154-T1157 WeakPolarHBondContact CA-OG1 3.31Å; Q1154-T1157 PolarHBondContact O-N 3.49Å; Q1154-T1157 PolarHBondContact O-OG1 2.58Å; Q1154-A1158 VanDerWaalsContact O-CB 3.25Å; Q1154-A1158 WeakPolarHBondContact O-CB 3.41Å; Q1154-A1158 PolarHBondContact O-N 3.11Å; Q1154-L1194 HydrophobicContact CG-CD2 3.9Å; Q1154-L1194 VanDerWaalsContact NE2-CD1 3.28Å |
| 1155 | W | 86.7 | Confident | 82.2 | Confident | 33 Ų | 33 | 56.3 Ų | 56.3 | 13% | 0.125 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.2 | -38 | 178.3 | -154.4 | -92 | 0 | 0 | 0 | 112.3 | A1151 I1152 L1153 A1158 Y1159 K1176 A1177 | A1151-W1155 WeakPolarHBondContact O-CB 3.34Å; A1151-W1155 PolarHBondContact O-N 3.4Å; I1152-W1155 PolarHBondContact O-N 3.45Å; L1153-W1155 PolarHBondContact O-N 2.93Å; W1155-A1158 PolarHBondContact O-N 3.26Å; W1155-Y1159 AromaticContact CD2-CD2 3.93Å; W1155-Y1159 HydrophobicContact CD2-CD2 3.93Å; W1155-Y1159 AromaticContact CD2-CE2 3.89Å; W1155-Y1159 HydrophobicContact CD2-CE2 3.89Å; W1155-Y1159 AromaticContact CE2-CD2 3.78Å; W1155-Y1159 AromaticContact CE2-CE2 3.84Å; W1155-Y1159 HydrophobicContact CE3-CE2 4.02Å; W1155-Y1159 HydrophobicContact CG-CD2 4.13Å; W1155-Y1159 HydrophobicContact CH2-CE2 4.16Å; W1155-Y1159 HydrophobicContact CZ2-CD2 4.3Å; W1155-Y1159 AromaticContact CZ2-CE2 4Å; W1155-Y1159 HydrophobicContact CZ2-CE2 4Å; W1155-Y1159 HydrophobicContact CZ3-CE2 4.16Å; W1155-Y1159 AromaticContact NE1-CD2 3.78Å; W1155-Y1159 PolarHBondContact O-N 2.86Å; W1155-Y1159 VanDerWaalsContact O-N 3.13Å; W1155-K1176 HydrophobicContact CH2-CB 3.98Å; W1155-K1176 HydrophobicContact CH2-CD 4.16Å; W1155-K1176 HydrophobicContact CH2-CG 3.96Å; W1155-K1176 HydrophobicContact CZ3-CG 4.45Å; W1155-A1177 HydrophobicContact CB-CB 4.16Å; W1155-A1177 HydrophobicContact CD2-CB 3.5Å; W1155-A1177 VanDerWaalsContact CE3-CA 3.41Å; W1155-A1177 HydrophobicContact CE3-CB 3.29Å; W1155-A1177 HydrophobicContact CG-CB 3.93Å; W1155-A1177 HydrophobicContact CH2-CB 4.44Å; W1155-A1177 VanDerWaalsContact CZ3-CA 3.44Å; W1155-A1177 HydrophobicContact CZ3-CB 3.8Å |
| 1156 | V | 84.5 | Confident | 81.4 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 65% | 0.648 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70 | -35 | 175 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | I1152 L1153 | I1152-V1156 HydrophobicContact CG2-CG2 4.42Å; I1152-V1156 WeakPolarHBondContact O-CB 3.47Å; I1152-V1156 VanDerWaalsContact O-CG2 3.29Å; I1152-V1156 WeakPolarHBondContact O-CG2 3.38Å; I1152-V1156 PolarHBondContact O-N 2.91Å; L1153-V1156 PolarHBondContact O-N 3.29Å |
| 1157 | T | 84.8 | Confident | 80.6 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 14% | 0.135 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -74.9 | -27.9 | 174.3 | 53.3 | 0 | 0 | 0 | 0 | 113 | L1153 Q1154 S1215 L1218 L1222 | L1153-T1157 WeakPolarHBondContact O-CG2 3.34Å; L1153-T1157 PolarHBondContact O-N 3.03Å; L1153-T1157 PolarHBondContact O-OG1 3.12Å; Q1154-T1157 WeakPolarHBondContact CA-OG1 3.31Å; Q1154-T1157 PolarHBondContact O-N 3.49Å; Q1154-T1157 PolarHBondContact O-OG1 2.58Å; T1157-S1215 WeakPolarHBondContact O-CB 3.47Å; T1157-L1218 HydrophobicContact CG2-CD2 3.57Å; T1157-L1218 HydrophobicContact CG2-CG 4.22Å; T1157-L1222 HydrophobicContact CG2-CD1 3.91Å |
| 1158 | A | 80.8 | Confident | 80 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.008 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -76.6 | -52.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1154 W1155 L1194 P1211 G1212 S1215 | Q1154-A1158 VanDerWaalsContact O-CB 3.25Å; Q1154-A1158 WeakPolarHBondContact O-CB 3.41Å; Q1154-A1158 PolarHBondContact O-N 3.11Å; W1155-A1158 PolarHBondContact O-N 3.26Å; A1158-L1194 HydrophobicContact CB-CD2 4.19Å; A1158-P1211 CarbonylContact O-C 3.4Å; A1158-P1211 VanDerWaalsContact O-CA 3.29Å; A1158-P1211 WeakPolarHBondContact O-CA 3.37Å; A1158-G1212 PolarHBondContact O-N 2.93Å; A1158-S1215 WeakPolarHBondContact CA-OG 3.26Å |
| 1159 | Y | 81 | Confident | 79.3 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -115.8 | 136 | -164.2 | -56 | -63.6 | 0 | 0 | 0 | 114.1 | W1155 T1193 L1200 N1209 | W1155-Y1159 AromaticContact CD2-CD2 3.93Å; W1155-Y1159 HydrophobicContact CD2-CD2 3.93Å; W1155-Y1159 AromaticContact CD2-CE2 3.89Å; W1155-Y1159 HydrophobicContact CD2-CE2 3.89Å; W1155-Y1159 AromaticContact CE2-CD2 3.78Å; W1155-Y1159 AromaticContact CE2-CE2 3.84Å; W1155-Y1159 HydrophobicContact CE3-CE2 4.02Å; W1155-Y1159 HydrophobicContact CG-CD2 4.13Å; W1155-Y1159 HydrophobicContact CH2-CE2 4.16Å; W1155-Y1159 HydrophobicContact CZ2-CD2 4.3Å; W1155-Y1159 AromaticContact CZ2-CE2 4Å; W1155-Y1159 HydrophobicContact CZ2-CE2 4Å; W1155-Y1159 HydrophobicContact CZ3-CE2 4.16Å; W1155-Y1159 AromaticContact NE1-CD2 3.78Å; W1155-Y1159 PolarHBondContact O-N 2.86Å; W1155-Y1159 VanDerWaalsContact O-N 3.13Å; Y1159-T1193 PolarHBondContact OH-O 2.97Å; Y1159-L1200 HydrophobicContact CE1-CD1 4.36Å; Y1159-N1209 HydrophobicContact CD1-CB 4.16Å; Y1159-N1209 WeakPolarHBondContact CD1-O 3.47Å; Y1159-N1209 HydrophobicContact CG-CB 4.49Å |
| 1160 | Q | 70.9 | Confident | 78.8 | Confident | 146 Ų | 146 | 66.7 Ų | 66.7 | 68% | 0.682 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -78.2 | -34.6 | -176.8 | -68 | -173.4 | -21.9 | 0 | 0 | 114.9 | C1210 | Q1160-C1210 PolarHBondContact N-O 2.71Š|
| 1161 | S | 69.4 | Low | 78.3 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 43% | 0.434 | 40% | 0.402 | S | S | . | . | trans | -150.4 | 127.4 | -179.7 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | N1209 | S1161-N1209 WeakPolarHBondContact O-CA 3.47Å; S1161-N1209 PolarHBondContact O-N 3.37Å | ||
| 1162 | T | 67.3 | Low | 78 | Confident | 53 Ų | 53 | 78.4 Ų | 78.4 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | trans | -125 | -3.3 | -171.8 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | S1164 | T1162-S1164 PolarHBondContact O-N 3.33Š| ||
| 1163 | A | 65.9 | Low | 77.6 | Confident | 73 Ų | 73 | 74.3 Ų | 74.3 | 60% | 0.603 | 41% | 0.412 | S | S | * | . | trans | -82.3 | 107.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1164 | S | 65.6 | Low | 77.3 | Confident | 28 Ų | 28 | 74.2 Ų | 74.2 | 20% | 0.196 | 41% | 0.414 | C | S | . | . | trans | -89.4 | 156.5 | 165.7 | 62.4 | 0 | 0 | 0 | 0 | 110.9 | T1162 D1166 T1169 N1170 | T1162-S1164 PolarHBondContact O-N 3.33Å; S1164-D1166 PolarHBondContact O-N 2.91Å; S1164-D1166 PolarHBondContact OG-O 2.93Å; S1164-T1169 VanDerWaalsContact OG-CB 3.31Å; S1164-T1169 WeakPolarHBondContact OG-CB 3.39Å; S1164-T1169 PolarHBondContact OG-OG1 3.24Å; S1164-N1170 PolarHBondContact N-OD1 3.42Å; S1164-N1170 PolarHBondContact O-ND2 3.32Å; S1164-N1170 PolarHBondContact O-OD1 2.85Å; S1164-N1170 PolarHBondContact OG-OD1 3.18Å | ||
| 1165 | L | 68.1 | Low | 77.2 | Confident | 180 Ų | 180 | 80.3 Ų | 80.3 | 94% | 0.942 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -64.4 | -28.3 | 178.2 | -143.2 | 83.1 | 0 | 0 | 0 | 112 | ||
| 1166 | D | 73 | Confident | 77.1 | Confident | 107 Ų | 107 | 84.1 Ų | 84.1 | 57% | 0.572 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -85.9 | 126 | -178.3 | -69.4 | -33.8 | 0 | 0 | 0 | 111.7 | S1164 L1168 T1169 N1170 | S1164-D1166 PolarHBondContact O-N 2.91Å; S1164-D1166 PolarHBondContact OG-O 2.93Å; D1166-L1168 VanDerWaalsContact C-N 3.28Å; D1166-L1168 PolarHBondContact O-N 3.31Å; D1166-T1169 WeakPolarHBondContact CB-OG1 3.34Å; D1166-T1169 PolarHBondContact O-OG1 3.32Å; D1166-N1170 PolarHBondContact O-N 3.47Å; D1166-N1170 PolarHBondContact O-ND2 2.97Å |
| 1167 | P | 75.5 | Confident | 77.2 | Confident | 103 Ų | 103 | 79.4 Ų | 79.4 | 67% | 0.669 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -69.4 | -24.4 | -177.7 | 26.1 | -33.9 | 0 | 0 | 0 | 113.3 | L1171 | P1167-L1171 PolarHBondContact O-N 2.91Å |
| 1168 | L | 76.8 | Confident | 77.4 | Confident | 122 Ų | 122 | 81.6 Ų | 81.6 | 64% | 0.639 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -68.3 | -44.9 | 178.5 | -75.1 | 168.4 | 0 | 0 | 0 | 112 | D1166 N1170 L1171 F1172 | D1166-L1168 VanDerWaalsContact C-N 3.28Å; D1166-L1168 PolarHBondContact O-N 3.31Å; L1168-N1170 VanDerWaalsContact C-N 3.3Å; L1168-N1170 PolarHBondContact O-N 3.3Å; L1168-L1171 WeakPolarHBondContact O-CB 3.39Å; L1168-L1171 PolarHBondContact O-N 3.3Å; L1168-L1171 VanDerWaalsContact O-N 3.09Å; L1168-F1172 WeakPolarHBondContact O-CD2 3.48Å; L1168-F1172 PolarHBondContact O-N 3.03Å |
| 1169 | T | 77.4 | Confident | 77.7 | Confident | 62 Ų | 62 | 85.9 Ų | 85.9 | 38% | 0.38 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.2 | -35 | 176.7 | 28 | 0 | 0 | 0 | 0 | 112 | S1164 D1166 L1171 F1172 T1173 | S1164-T1169 VanDerWaalsContact OG-CB 3.31Å; S1164-T1169 WeakPolarHBondContact OG-CB 3.39Å; S1164-T1169 PolarHBondContact OG-OG1 3.24Å; D1166-T1169 WeakPolarHBondContact CB-OG1 3.34Å; D1166-T1169 PolarHBondContact O-OG1 3.32Å; T1169-L1171 VanDerWaalsContact C-N 3.28Å; T1169-L1171 PolarHBondContact O-N 3.16Å; T1169-F1172 PolarHBondContact O-N 3.34Å; T1169-T1173 PolarHBondContact O-N 2.81Å; T1169-T1173 PolarHBondContact O-OG1 3.31Å |
| 1170 | N | 80.7 | Confident | 78 | Confident | 53 Ų | 53 | 85.2 Ų | 85.2 | 28% | 0.283 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.1 | -27.9 | 173.4 | -61.9 | -24.6 | 0 | 0 | 0 | 112.8 | S1164 D1166 L1168 T1173 | S1164-N1170 PolarHBondContact N-OD1 3.42Å; S1164-N1170 PolarHBondContact O-ND2 3.32Å; S1164-N1170 PolarHBondContact O-OD1 2.85Å; S1164-N1170 PolarHBondContact OG-OD1 3.18Å; D1166-N1170 PolarHBondContact O-N 3.47Å; D1166-N1170 PolarHBondContact O-ND2 2.97Å; L1168-N1170 VanDerWaalsContact C-N 3.3Å; L1168-N1170 PolarHBondContact O-N 3.3Å; N1170-T1173 PolarHBondContact O-OG1 2.8Å; N1170-T1173 VanDerWaalsContact O-OG1 3.04Å |
| 1171 | L | 80.9 | Confident | 78.9 | Confident | 120 Ų | 120 | 78.2 Ų | 78.2 | 63% | 0.628 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -75.9 | -41.4 | 171.2 | -176.1 | 65.7 | 0 | 0 | 0 | 111.6 | P1167 L1168 T1169 T1173 V1174 F1175 | P1167-L1171 PolarHBondContact O-N 2.91Å; L1168-L1171 WeakPolarHBondContact O-CB 3.39Å; L1168-L1171 PolarHBondContact O-N 3.3Å; L1168-L1171 VanDerWaalsContact O-N 3.09Å; T1169-L1171 VanDerWaalsContact C-N 3.28Å; T1169-L1171 PolarHBondContact O-N 3.16Å; L1171-T1173 VanDerWaalsContact C-N 3.35Å; L1171-T1173 PolarHBondContact O-N 2.9Å; L1171-V1174 PolarHBondContact O-N 3.42Å; L1171-F1175 PolarHBondContact O-N 3.43Å |
| 1172 | F | 82.3 | Confident | 79.9 | Confident | 145 Ų | 145 | 80.1 Ų | 80.1 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.9 | -36 | 177.2 | -81.1 | -67.7 | 0 | 0 | 0 | 113 | L1168 T1169 F1175 K1176 | L1168-F1172 WeakPolarHBondContact O-CD2 3.48Å; L1168-F1172 PolarHBondContact O-N 3.03Å; T1169-F1172 PolarHBondContact O-N 3.34Å; F1172-F1175 PolarHBondContact O-N 3.1Å; F1172-K1176 WeakPolarHBondContact O-CB 3.49Å; F1172-K1176 PolarHBondContact O-N 2.77Å |
| 1173 | T | 80.5 | Confident | 80.9 | Confident | 27 Ų | 27 | 81.1 Ų | 81.1 | 17% | 0.166 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 175.8 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | T1169 N1170 L1171 F1175 K1176 A1177 | T1169-T1173 PolarHBondContact O-N 2.81Å; T1169-T1173 PolarHBondContact O-OG1 3.31Å; N1170-T1173 PolarHBondContact O-OG1 2.8Å; N1170-T1173 VanDerWaalsContact O-OG1 3.04Å; L1171-T1173 VanDerWaalsContact C-N 3.35Å; L1171-T1173 PolarHBondContact O-N 2.9Å; T1173-F1175 PolarHBondContact O-N 3.39Å; T1173-K1176 PolarHBondContact O-N 3.44Å; T1173-A1177 PolarHBondContact O-N 3.38Å |
| 1174 | V | 84 | Confident | 82 | Confident | 82 Ų | 82 | 77.7 Ų | 77.7 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 174.7 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | L1171 A1177 L1178 | L1171-V1174 PolarHBondContact O-N 3.42Å; V1174-A1177 WeakPolarHBondContact O-CB 3.38Å; V1174-A1177 PolarHBondContact O-N 3.32Å; V1174-L1178 HydrophobicContact CG1-CD1 4.36Å; V1174-L1178 PolarHBondContact O-N 2.87Å; V1174-L1178 VanDerWaalsContact O-N 3.16Å |
| 1175 | F | 85.3 | Confident | 83.1 | Confident | 133 Ų | 133 | 77.3 Ų | 77.3 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.3 | -43.7 | 175.2 | -175.4 | -93.8 | 0 | 0 | 0 | 111.7 | L1171 F1172 T1173 A1177 L1178 Q1179 | L1171-F1175 PolarHBondContact O-N 3.43Å; F1172-F1175 PolarHBondContact O-N 3.1Å; T1173-F1175 PolarHBondContact O-N 3.39Å; F1175-A1177 VanDerWaalsContact C-N 3.3Å; F1175-A1177 PolarHBondContact O-N 2.89Å; F1175-L1178 PolarHBondContact O-N 2.84Å; F1175-Q1179 WeakPolarHBondContact O-CB 3.38Å; F1175-Q1179 PolarHBondContact O-N 2.75Å |
| 1176 | K | 83.9 | Confident | 83.9 | Confident | 113 Ų | 113 | 75.7 Ų | 75.7 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 176.6 | -168.8 | 175.1 | 178.6 | -175.1 | 0 | 112.1 | W1155 F1172 T1173 Q1179 L1180 | W1155-K1176 HydrophobicContact CH2-CB 3.98Å; W1155-K1176 HydrophobicContact CH2-CD 4.16Å; W1155-K1176 HydrophobicContact CH2-CG 3.96Å; W1155-K1176 HydrophobicContact CZ3-CG 4.45Å; F1172-K1176 WeakPolarHBondContact O-CB 3.49Å; F1172-K1176 PolarHBondContact O-N 2.77Å; T1173-K1176 PolarHBondContact O-N 3.44Å; K1176-Q1179 PolarHBondContact O-N 3.33Å; K1176-L1180 WeakPolarHBondContact O-CB 3.36Å; K1176-L1180 PolarHBondContact O-N 3.21Å |
| 1177 | A | 86.5 | Confident | 84.5 | Confident | 8 Ų | 8 | 72 Ų | 72 | 7% | 0.066 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1155 T1173 V1174 F1175 L1180 A1181 | W1155-A1177 HydrophobicContact CB-CB 4.16Å; W1155-A1177 HydrophobicContact CD2-CB 3.5Å; W1155-A1177 VanDerWaalsContact CE3-CA 3.41Å; W1155-A1177 HydrophobicContact CE3-CB 3.29Å; W1155-A1177 HydrophobicContact CG-CB 3.93Å; W1155-A1177 HydrophobicContact CH2-CB 4.44Å; W1155-A1177 VanDerWaalsContact CZ3-CA 3.44Å; W1155-A1177 HydrophobicContact CZ3-CB 3.8Å; T1173-A1177 PolarHBondContact O-N 3.38Å; V1174-A1177 WeakPolarHBondContact O-CB 3.38Å; V1174-A1177 PolarHBondContact O-N 3.32Å; F1175-A1177 VanDerWaalsContact C-N 3.3Å; F1175-A1177 PolarHBondContact O-N 2.89Å; A1177-L1180 PolarHBondContact O-N 3.12Å; A1177-A1181 PolarHBondContact O-N 3.01Å; A1177-A1181 VanDerWaalsContact O-N 3.12Å |
| 1178 | L | 89.2 | Confident | 85 | Confident | 67 Ų | 67 | 73 Ų | 73 | 35% | 0.351 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 177.9 | -71.2 | 166.6 | 0 | 0 | 0 | 112.2 | A1148 A1151 V1174 F1175 Y1182 | A1148-L1178 HydrophobicContact CB-CD2 3.95Å; A1151-L1178 HydrophobicContact CB-CD2 3.82Å; A1151-L1178 HydrophobicContact CB-CG 4.4Å; V1174-L1178 HydrophobicContact CG1-CD1 4.36Å; V1174-L1178 PolarHBondContact O-N 2.87Å; V1174-L1178 VanDerWaalsContact O-N 3.16Å; F1175-L1178 PolarHBondContact O-N 2.84Å; L1178-Y1182 WeakPolarHBondContact O-CB 3.4Å; L1178-Y1182 PolarHBondContact O-N 2.9Å |
| 1179 | Q | 88 | Confident | 85.4 | Confident | 91 Ų | 91 | 71.1 Ų | 71.1 | 43% | 0.425 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.7 | -51.1 | 175.3 | -178.6 | 178.3 | -8.7 | 0 | 0 | 110.9 | F1175 K1176 A1181 Y1182 F1183 | F1175-Q1179 WeakPolarHBondContact O-CB 3.38Å; F1175-Q1179 PolarHBondContact O-N 2.75Å; K1176-Q1179 PolarHBondContact O-N 3.33Å; Q1179-A1181 PolarHBondContact O-N 3.42Å; Q1179-Y1182 PolarHBondContact O-N 3.39Å; Q1179-F1183 HydrophobicContact CG-CD2 3.76Å; Q1179-F1183 HydrophobicContact CG-CE2 3.75Å; Q1179-F1183 VanDerWaalsContact O-CD2 3.27Å; Q1179-F1183 WeakPolarHBondContact O-CD2 3.24Å; Q1179-F1183 PolarHBondContact O-N 3.45Å; Q1179-F1183 VanDerWaalsContact O-N 3.09Å |
| 1180 | L | 87.6 | Confident | 85.5 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 179.9 | 178.9 | 56 | 0 | 0 | 0 | 111.7 | K1176 A1177 Y1182 F1183 Q1184 E1190 L1194 | K1176-L1180 WeakPolarHBondContact O-CB 3.36Å; K1176-L1180 PolarHBondContact O-N 3.21Å; A1177-L1180 PolarHBondContact O-N 3.12Å; L1180-Y1182 VanDerWaalsContact C-N 3.27Å; L1180-Y1182 PolarHBondContact O-N 3.48Å; L1180-F1183 PolarHBondContact O-N 2.92Å; L1180-Q1184 HydrophobicContact CD1-CG 4.24Å; L1180-Q1184 WeakPolarHBondContact O-CB 3.39Å; L1180-Q1184 VanDerWaalsContact O-CG 3.24Å; L1180-Q1184 WeakPolarHBondContact O-CG 3.26Å; L1180-Q1184 PolarHBondContact O-N 3.37Å; L1180-Q1184 PolarHBondContact O-OE1 3.02Å; L1180-E1190 HydrophobicContact CD1-CB 3.83Å; L1180-E1190 HydrophobicContact CD1-CG 3.8Å; L1180-L1194 HydrophobicContact CD2-CD1 4.32Å; L1180-L1194 HydrophobicContact CD2-CD2 4.16Å; L1180-L1194 HydrophobicContact CD2-CG 4.41Å |
| 1181 | A | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.3 | -33.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1147 F1150 A1151 A1177 Q1179 Y1226 | V1147-A1181 HydrophobicContact CG1-CB 4.04Å; F1150-A1181 HydrophobicContact CD1-CB 4.05Å; A1151-A1181 HydrophobicContact CB-CB 3.5Å; A1177-A1181 PolarHBondContact O-N 3.01Å; A1177-A1181 VanDerWaalsContact O-N 3.12Å; Q1179-A1181 PolarHBondContact O-N 3.42Å; A1181-Y1226 WeakPolarHBondContact O-CE1 3.25Å; A1181-Y1226 PolarHBondContact O-OH 3.45Å |
| 1182 | Y | 90.3 | Very high | 84.9 | Confident | 102 Ų | 102 | 72.2 Ų | 72.2 | 40% | 0.4 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.6 | -49.4 | 176.5 | 175.7 | -98.7 | 0 | 0 | 0 | 111.9 | F1143 L1178 Q1179 L1180 Q1184 V1185 F1186 | F1143-Y1182 HydrophobicContact CE1-CD2 4.2Å; F1143-Y1182 HydrophobicContact CE1-CE2 4.15Å; L1178-Y1182 WeakPolarHBondContact O-CB 3.4Å; L1178-Y1182 PolarHBondContact O-N 2.9Å; Q1179-Y1182 PolarHBondContact O-N 3.39Å; L1180-Y1182 VanDerWaalsContact C-N 3.27Å; L1180-Y1182 PolarHBondContact O-N 3.48Å; Y1182-Q1184 VanDerWaalsContact C-N 3.29Å; Y1182-Q1184 PolarHBondContact O-N 3.39Å; Y1182-V1185 WeakPolarHBondContact O-CB 3.28Å; Y1182-V1185 PolarHBondContact O-N 3.41Å; Y1182-V1185 VanDerWaalsContact O-N 3.14Å; Y1182-F1186 HydrophobicContact CD1-CE2 4.48Å; Y1182-F1186 HydrophobicContact CE1-CD2 4.38Å; Y1182-F1186 AromaticContact CE1-CE2 3.85Å; Y1182-F1186 HydrophobicContact CE1-CE2 3.85Å; Y1182-F1186 HydrophobicContact CE2-CE2 4.07Å; Y1182-F1186 AromaticContact CZ-CE2 3.62Å |
| 1183 | F | 89.4 | Confident | 84.5 | Confident | 74 Ų | 74 | 67.9 Ų | 67.9 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69 | -26.8 | -179.6 | -76.8 | -68.9 | 0 | 0 | 0 | 112.9 | Q1179 L1180 V1185 F1186 G1187 E1188 | Q1179-F1183 HydrophobicContact CG-CD2 3.76Å; Q1179-F1183 HydrophobicContact CG-CE2 3.75Å; Q1179-F1183 VanDerWaalsContact O-CD2 3.27Å; Q1179-F1183 WeakPolarHBondContact O-CD2 3.24Å; Q1179-F1183 PolarHBondContact O-N 3.45Å; Q1179-F1183 VanDerWaalsContact O-N 3.09Å; L1180-F1183 PolarHBondContact O-N 2.92Å; F1183-V1185 PolarHBondContact O-N 3.3Å; F1183-F1186 PolarHBondContact O-N 3.23Å; F1183-G1187 PolarHBondContact O-N 3.17Å; F1183-G1187 VanDerWaalsContact O-N 3.13Å; F1183-E1188 HydrophobicContact CB-CB 4.08Å; F1183-E1188 WeakPolarHBondContact CD1-OE2 3.46Å; F1183-E1188 PolarHBondContact O-N 3.41Å |
| 1184 | Q | 88.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.1 | -24.1 | 169.4 | -81 | 166.1 | -13.8 | 0 | 0 | 114.4 | L1180 Y1182 F1186 E1188 Y1189 L1223 Y1226 | L1180-Q1184 HydrophobicContact CD1-CG 4.24Å; L1180-Q1184 WeakPolarHBondContact O-CB 3.39Å; L1180-Q1184 VanDerWaalsContact O-CG 3.24Å; L1180-Q1184 WeakPolarHBondContact O-CG 3.26Å; L1180-Q1184 PolarHBondContact O-N 3.37Å; L1180-Q1184 PolarHBondContact O-OE1 3.02Å; Y1182-Q1184 VanDerWaalsContact C-N 3.29Å; Y1182-Q1184 PolarHBondContact O-N 3.39Å; Q1184-F1186 VanDerWaalsContact C-N 3.33Å; Q1184-E1188 WeakPolarHBondContact CA-O 3.29Å; Q1184-E1188 VanDerWaalsContact CG-O 3.27Å; Q1184-E1188 WeakPolarHBondContact CG-O 3.38Å; Q1184-E1188 PolarHBondContact N-O 3.28Å; Q1184-Y1189 HydrophobicContact CB-CD1 4.35Å; Q1184-Y1189 HydrophobicContact CG-CD1 4.14Å; Q1184-Y1189 PolarHBondContact NE2-O 3.21Å; Q1184-Y1189 VanDerWaalsContact O-CE1 3.3Å; Q1184-Y1189 WeakPolarHBondContact O-CE1 3.2Å; Q1184-L1223 HydrophobicContact CB-CD1 4.07Å; Q1184-L1223 HydrophobicContact CG-CD1 4.05Å; Q1184-Y1226 HydrophobicContact CB-CE1 4.18Å |
| 1185 | V | 87.4 | Confident | 83.7 | Confident | 21 Ų | 21 | 63.6 Ų | 63.6 | 13% | 0.127 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.5 | -34.2 | 173.4 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | F1143 Y1182 F1183 Y1226 T1230 | F1143-V1185 HydrophobicContact CE2-CG1 4.05Å; F1143-V1185 HydrophobicContact CE2-CG2 4.19Å; F1143-V1185 HydrophobicContact CZ-CB 4.36Å; F1143-V1185 HydrophobicContact CZ-CG1 4.1Å; F1143-V1185 HydrophobicContact CZ-CG2 3.95Å; Y1182-V1185 WeakPolarHBondContact O-CB 3.28Å; Y1182-V1185 PolarHBondContact O-N 3.41Å; Y1182-V1185 VanDerWaalsContact O-N 3.14Å; F1183-V1185 PolarHBondContact O-N 3.3Å; V1185-Y1226 HydrophobicContact CG2-CE1 3.64Å; V1185-Y1226 WeakPolarHBondContact CG2-OH 3.38Å; V1185-T1230 HydrophobicContact CG2-CG2 4.29Å |
| 1186 | F | 85.6 | Confident | 82.8 | Confident | 145 Ų | 145 | 58.3 Ų | 58.3 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -86.1 | -13.4 | 179.7 | -65.3 | -80.2 | 0 | 0 | 0 | 113.3 | Y1182 F1183 Q1184 | Y1182-F1186 HydrophobicContact CD1-CE2 4.48Å; Y1182-F1186 HydrophobicContact CE1-CD2 4.38Å; Y1182-F1186 AromaticContact CE1-CE2 3.85Å; Y1182-F1186 HydrophobicContact CE1-CE2 3.85Å; Y1182-F1186 HydrophobicContact CE2-CE2 4.07Å; Y1182-F1186 AromaticContact CZ-CE2 3.62Å; F1183-F1186 PolarHBondContact O-N 3.23Å; Q1184-F1186 VanDerWaalsContact C-N 3.33Å |
| 1187 | G | 84.7 | Confident | 82.1 | Confident | 31 Ų | 31 | 60.6 Ų | 60.6 | 32% | 0.32 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 116.8 | 4.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | F1183 Y1189 | F1183-G1187 PolarHBondContact O-N 3.17Å; F1183-G1187 VanDerWaalsContact O-N 3.13Å; G1187-Y1189 WeakPolarHBondContact O-CD2 3.18Å; G1187-Y1189 PolarHBondContact O-N 3.15Å |
| 1188 | E | 87.5 | Confident | 81.3 | Confident | 122 Ų | 122 | 64.4 Ų | 64.4 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | trans | -86.5 | 95.3 | 175.4 | -66.1 | 179.7 | 177.9 | 0 | 0 | 109.7 | F1183 Q1184 | F1183-E1188 HydrophobicContact CB-CB 4.08Å; F1183-E1188 WeakPolarHBondContact CD1-OE2 3.46Å; F1183-E1188 PolarHBondContact O-N 3.41Å; Q1184-E1188 WeakPolarHBondContact CA-O 3.29Å; Q1184-E1188 VanDerWaalsContact CG-O 3.27Å; Q1184-E1188 WeakPolarHBondContact CG-O 3.38Å; Q1184-E1188 PolarHBondContact N-O 3.28Å | ||
| 1189 | Y | 83.4 | Confident | 80 | Confident | 83 Ų | 83 | 65.9 Ų | 65.9 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | trans | -89.2 | -25.2 | -165.7 | -58.8 | -55.7 | 0 | 0 | 0 | 116.7 | Q1184 G1187 M1191 L1194 L1223 V1227 | Q1184-Y1189 HydrophobicContact CB-CD1 4.35Å; Q1184-Y1189 HydrophobicContact CG-CD1 4.14Å; Q1184-Y1189 PolarHBondContact NE2-O 3.21Å; Q1184-Y1189 VanDerWaalsContact O-CE1 3.3Å; Q1184-Y1189 WeakPolarHBondContact O-CE1 3.2Å; G1187-Y1189 WeakPolarHBondContact O-CD2 3.18Å; G1187-Y1189 PolarHBondContact O-N 3.15Å; Y1189-M1191 PolarHBondContact O-N 3.13Å; Y1189-L1194 WeakPolarHBondContact O-CD1 3.44Å; Y1189-L1223 HydrophobicContact CD1-CD1 3.9Å; Y1189-L1223 HydrophobicContact CD1-CD2 3.67Å; Y1189-L1223 HydrophobicContact CD1-CG 4.18Å; Y1189-L1223 HydrophobicContact CE1-CD1 4.26Å; Y1189-L1223 HydrophobicContact CE1-CD2 4.37Å; Y1189-L1223 HydrophobicContact CG-CD2 3.95Å; Y1189-V1227 HydrophobicContact CE1-CG2 3.83Å | ||
| 1190 | E | 79.8 | Confident | 78.9 | Confident | 104 Ų | 104 | 65 Ų | 65 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | trans | 45.5 | 36.4 | -172.7 | -57.3 | -163.5 | 151.3 | 0 | 0 | 115.3 | L1180 D1192 T1193 | L1180-E1190 HydrophobicContact CD1-CB 3.83Å; L1180-E1190 HydrophobicContact CD1-CG 3.8Å; E1190-D1192 VanDerWaalsContact C-N 3.28Å; E1190-D1192 PolarHBondContact O-N 3.04Å; E1190-D1192 VanDerWaalsContact O-N 3.13Å; E1190-T1193 PolarHBondContact O-N 3.21Å; E1190-T1193 VanDerWaalsContact O-N 3.09Å; E1190-T1193 PolarHBondContact O-OG1 2.85Å | ||
| 1191 | M | 74.2 | Confident | 77.8 | Confident | 54 Ų | 54 | 69.6 Ų | 69.6 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -50.8 | -40.9 | -172.8 | -74.7 | -56.7 | -59.5 | 0 | 0 | 114.5 | Y1189 T1193 L1194 S1195 P1220 L1223 | Y1189-M1191 PolarHBondContact O-N 3.13Å; M1191-T1193 PolarHBondContact O-N 3.32Å; M1191-L1194 PolarHBondContact O-N 3Å; M1191-S1195 WeakPolarHBondContact O-CB 3.48Å; M1191-S1195 PolarHBondContact O-N 3.26Å; M1191-S1195 PolarHBondContact O-OG 3.24Å; M1191-P1220 HydrophobicContact CE-CB 3.97Å; M1191-P1220 HydrophobicContact CE-CG 3.7Å; M1191-L1223 HydrophobicContact SD-CD2 3.43Å; M1191-L1223 WeakPolarHBondContact SD-CD2 2.71Å |
| 1192 | D | 75.8 | Confident | 76.6 | Confident | 101 Ų | 101 | 71.7 Ų | 71.7 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.2 | -28.9 | -175.7 | -44 | -10.7 | 0 | 0 | 0 | 112.9 | E1190 S1195 V1198 | E1190-D1192 VanDerWaalsContact C-N 3.28Å; E1190-D1192 PolarHBondContact O-N 3.04Å; E1190-D1192 VanDerWaalsContact O-N 3.13Å; D1192-S1195 PolarHBondContact O-OG 3Å; D1192-V1198 HydrophobicContact CB-CG2 4.43Å |
| 1193 | T | 74.1 | Confident | 75.6 | Confident | 54 Ų | 54 | 67.9 Ų | 67.9 | 33% | 0.331 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -82.7 | -24.2 | 177.2 | 72 | 0 | 0 | 0 | 0 | 112.8 | Y1159 E1190 M1191 | Y1159-T1193 PolarHBondContact OH-O 2.97Å; E1190-T1193 PolarHBondContact O-N 3.21Å; E1190-T1193 VanDerWaalsContact O-N 3.09Å; E1190-T1193 PolarHBondContact O-OG1 2.85Å; M1191-T1193 PolarHBondContact O-N 3.32Å |
| 1194 | L | 74.3 | Confident | 74.4 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -89.7 | -43.4 | -178.8 | -70.9 | 158.8 | 0 | 0 | 0 | 111 | Q1154 A1158 L1180 Y1189 M1191 G1196 S1215 | Q1154-L1194 HydrophobicContact CG-CD2 3.9Å; Q1154-L1194 VanDerWaalsContact NE2-CD1 3.28Å; A1158-L1194 HydrophobicContact CB-CD2 4.19Å; L1180-L1194 HydrophobicContact CD2-CD1 4.32Å; L1180-L1194 HydrophobicContact CD2-CD2 4.16Å; L1180-L1194 HydrophobicContact CD2-CG 4.41Å; Y1189-L1194 WeakPolarHBondContact O-CD1 3.44Å; M1191-L1194 PolarHBondContact O-N 3Å; L1194-G1196 PolarHBondContact O-N 3.08Å; L1194-S1215 WeakPolarHBondContact O-CB 3.48Å; L1194-S1215 PolarHBondContact O-OG 3.07Å |
| 1195 | S | 74 | Confident | 73.2 | Confident | 18 Ų | 18 | 77.6 Ų | 77.6 | 13% | 0.126 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.3 | -24.5 | 178.9 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | M1191 D1192 T1216 | M1191-S1195 WeakPolarHBondContact O-CB 3.48Å; M1191-S1195 PolarHBondContact O-N 3.26Å; M1191-S1195 PolarHBondContact O-OG 3.24Å; D1192-S1195 PolarHBondContact O-OG 3Å; S1195-T1216 WeakPolarHBondContact O-CG2 3.38Å |
| 1196 | G | 65.9 | Low | 72.1 | Confident | 21 Ų | 21 | 82 Ų | 82 | 22% | 0.216 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 12.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1194 V1198 | L1194-G1196 PolarHBondContact O-N 3.08Å; G1196-V1198 VanDerWaalsContact C-N 3.27Å; G1196-V1198 PolarHBondContact O-N 3.07Å |
| 1197 | E | 69.3 | Low | 71 | Confident | 161 Ų | 161 | 82.9 Ų | 82.9 | 75% | 0.752 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -64.6 | -32.8 | 174.3 | -71.6 | -176.6 | -176.9 | 0 | 0 | 112.1 | ||
| 1198 | V | 68.1 | Low | 70.1 | Confident | 89 Ų | 89 | 83.6 Ų | 83.6 | 54% | 0.539 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -104 | 105.4 | 175.5 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | D1192 G1196 L1200 | D1192-V1198 HydrophobicContact CB-CG2 4.43Å; G1196-V1198 VanDerWaalsContact C-N 3.27Å; G1196-V1198 PolarHBondContact O-N 3.07Å; V1198-L1200 PolarHBondContact O-N 3.3Å |
| 1199 | L | 62.9 | Low | 69.3 | Low | 98 Ų | 98 | 79 Ų | 79 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | trans | -72 | 114.1 | 171.4 | -72.6 | 168.5 | 0 | 0 | 0 | 110.7 | P1211 | L1199-P1211 HydrophobicContact CD2-CG 3.87Š| ||
| 1200 | L | 65.4 | Low | 68.9 | Low | 73 Ų | 73 | 75.9 Ų | 75.9 | 38% | 0.382 | 40% | 0.398 | S | S | . | . | trans | -55.4 | 138.6 | 169.8 | -69 | 162.4 | 0 | 0 | 0 | 110.6 | Y1159 V1198 S1202 C1203 N1209 | Y1159-L1200 HydrophobicContact CE1-CD1 4.36Å; V1198-L1200 PolarHBondContact O-N 3.3Å; L1200-S1202 PolarHBondContact O-N 3.33Å; L1200-S1202 VanDerWaalsContact O-N 3.14Å; L1200-C1203 VanDerWaalsContact O-CB 3.26Å; L1200-C1203 WeakPolarHBondContact O-CB 3.24Å; L1200-C1203 PolarHBondContact O-N 3.22Å; L1200-N1209 HydrophobicContact CD1-CB 4.02Å | ||
| 1201 | D | 63.4 | Low | 68.6 | Low | 109 Ų | 109 | 72.4 Ų | 72.4 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.1 | -27.7 | -179.6 | -80.8 | -36.1 | 0 | 0 | 0 | 113.1 | C1203 K1204 | D1201-C1203 PolarHBondContact O-N 1.93Å; D1201-K1204 WeakPolarHBondContact O-CB 3.27Å; D1201-K1204 PolarHBondContact O-N 2.95Å; D1201-K1204 VanDerWaalsContact O-N 3.07Å; D1201-K1204 IonicContact OD1-NZ 2.76Å; D1201-K1204 PolarHBondContact OD1-NZ 3.48Å |
| 1202 | S | 63.8 | Low | 68.6 | Low | 45 Ų | 45 | 70.2 Ų | 70.2 | 32% | 0.315 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.9 | -24 | 171.9 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | L1200 D1206 K1207 I1208 | L1200-S1202 PolarHBondContact O-N 3.33Å; L1200-S1202 VanDerWaalsContact O-N 3.14Å; S1202-D1206 PolarHBondContact O-N 3.2Å; S1202-K1207 PolarHBondContact O-N 2.67Å; S1202-I1208 CarbonylContact C-O 3.31Å; S1202-I1208 PolarHBondContact O-N 2.79Å; S1202-I1208 PolarHBondContact OG-O 3.17Å; S1202-I1208 VanDerWaalsContact OG-O 3.11Å |
| 1203 | C | 69.8 | Low | 68.6 | Low | 21 Ų | 21 | 68.2 Ų | 68.2 | 14% | 0.142 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -76.3 | -28.3 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | L1200 D1201 I1208 C1210 | L1200-C1203 VanDerWaalsContact O-CB 3.26Å; L1200-C1203 WeakPolarHBondContact O-CB 3.24Å; L1200-C1203 PolarHBondContact O-N 3.22Å; D1201-C1203 PolarHBondContact O-N 1.93Å; C1203-I1208 PolarHBondContact N-O 2.89Å; C1203-C1210 WeakPolarHBondContact CA-SG 3.28Å; C1203-C1210 HydrophobicContact CB-CB 4.11Å; C1203-C1210 WeakPolarHBondContact CB-SG 3.38Å; C1203-C1210 WeakPolarHBondContact SG-CA 2.81Å; C1203-C1210 WeakPolarHBondContact SG-CB 3.47Å; C1203-C1210 CovalentContact SG-SG 2.04Å; C1203-C1210 PolarHBondContact SG-SG 3.13Å |
| 1204 | K | 64.1 | Low | 69 | Low | 142 Ų | 142 | 74.1 Ų | 74.1 | 62% | 0.617 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -68.9 | -42.5 | 177.6 | -70.9 | 176.6 | -173.2 | 149.7 | 0 | 112.6 | D1201 | D1201-K1204 WeakPolarHBondContact O-CB 3.27Å; D1201-K1204 PolarHBondContact O-N 2.95Å; D1201-K1204 VanDerWaalsContact O-N 3.07Å; D1201-K1204 IonicContact OD1-NZ 2.76Å; D1201-K1204 PolarHBondContact OD1-NZ 3.48Å |
| 1205 | N | 64.3 | Low | 69.3 | Low | 136 Ų | 136 | 74 Ų | 74 | 73% | 0.727 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -92.4 | -54.5 | -172.1 | -65 | -10 | 0 | 0 | 0 | 112.1 | ||
| 1206 | D | 63.6 | Low | 69.6 | Low | 115 Ų | 115 | 77.2 Ų | 77.2 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -109.1 | -1.5 | -166.6 | -56.8 | -46.1 | 0 | 0 | 0 | 113.7 | S1202 I1208 | S1202-D1206 PolarHBondContact O-N 3.2Å; D1206-I1208 HydrophobicContact CB-CD1 3.78Å; D1206-I1208 HydrophobicContact CB-CG1 3.85Å; D1206-I1208 PolarHBondContact O-N 2.98Å |
| 1207 | K | 63.4 | Low | 70.6 | Confident | 162 Ų | 162 | 82.6 Ų | 82.6 | 70% | 0.704 | 43% | 0.428 | S | S | * | . | trans | 57.3 | 23.5 | -172.3 | -58.5 | 179.4 | 178.7 | 176.5 | 0 | 114.2 | S1202 | S1202-K1207 PolarHBondContact O-N 2.67Š| ||
| 1208 | I | 65.5 | Low | 71.5 | Confident | 46 Ų | 46 | 77 Ų | 77 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 133.4 | 178.7 | -58.4 | 172.9 | 0 | 0 | 0 | 109.5 | S1202 C1203 D1206 C1210 | S1202-I1208 CarbonylContact C-O 3.31Å; S1202-I1208 PolarHBondContact O-N 2.79Å; S1202-I1208 PolarHBondContact OG-O 3.17Å; S1202-I1208 VanDerWaalsContact OG-O 3.11Å; C1203-I1208 PolarHBondContact N-O 2.89Å; D1206-I1208 HydrophobicContact CB-CD1 3.78Å; D1206-I1208 HydrophobicContact CB-CG1 3.85Å; D1206-I1208 PolarHBondContact O-N 2.98Å; I1208-C1210 VanDerWaalsContact C-N 3.33Å; I1208-C1210 PolarHBondContact O-N 3.41Å |
| 1209 | N | 71.1 | Confident | 72.3 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 14% | 0.139 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 36.6 | -177.1 | -55.9 | -33 | 0 | 0 | 0 | 114.1 | Y1159 S1161 L1200 | Y1159-N1209 HydrophobicContact CD1-CB 4.16Å; Y1159-N1209 WeakPolarHBondContact CD1-O 3.47Å; Y1159-N1209 HydrophobicContact CG-CB 4.49Å; S1161-N1209 WeakPolarHBondContact O-CA 3.47Å; S1161-N1209 PolarHBondContact O-N 3.37Å; L1200-N1209 HydrophobicContact CD1-CB 4.02Å |
| 1210 | C | 74.2 | Confident | 73.5 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 12% | 0.122 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 134.7 | 171.7 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | Q1160 C1203 I1208 | Q1160-C1210 PolarHBondContact N-O 2.71Å; C1203-C1210 WeakPolarHBondContact CA-SG 3.28Å; C1203-C1210 HydrophobicContact CB-CB 4.11Å; C1203-C1210 WeakPolarHBondContact CB-SG 3.38Å; C1203-C1210 WeakPolarHBondContact SG-CA 2.81Å; C1203-C1210 WeakPolarHBondContact SG-CB 3.47Å; C1203-C1210 CovalentContact SG-SG 2.04Å; C1203-C1210 PolarHBondContact SG-SG 3.13Å; I1208-C1210 VanDerWaalsContact C-N 3.33Å; I1208-C1210 PolarHBondContact O-N 3.41Å |
| 1211 | P | 73.1 | Confident | 74.7 | Confident | 30 Ų | 30 | 71.6 Ų | 71.6 | 20% | 0.195 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -68 | 136.8 | 178.6 | 27.3 | -33.6 | 0 | 0 | 0 | 111.6 | A1158 L1199 | A1158-P1211 CarbonylContact O-C 3.4Å; A1158-P1211 VanDerWaalsContact O-CA 3.29Å; A1158-P1211 WeakPolarHBondContact O-CA 3.37Å; L1199-P1211 HydrophobicContact CD2-CG 3.87Å |
| 1212 | G | 73.7 | Confident | 75.9 | Confident | 9 Ų | 9 | 68 Ų | 68 | 9% | 0.093 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 147 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1158 W1214 S1215 | A1158-G1212 PolarHBondContact O-N 2.93Å; G1212-W1214 PolarHBondContact O-N 2.95Å; G1212-S1215 WeakPolarHBondContact O-CB 3.18Å; G1212-S1215 PolarHBondContact O-N 3.25Å |
| 1213 | G | 77 | Confident | 77.1 | Confident | 59 Ų | 59 | 66.5 Ų | 66.5 | 61% | 0.608 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1215 T1216 | G1213-S1215 VanDerWaalsContact C-N 3.33Å; G1213-T1216 PolarHBondContact O-OG1 2.91Å |
| 1214 | W | 81.5 | Confident | 78.1 | Confident | 177 Ų | 177 | 67.1 Ų | 67.1 | 67% | 0.67 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -27.9 | 173.3 | -60.6 | 103.7 | 0 | 0 | 0 | 113.7 | G1212 T1216 W1217 L1218 | G1212-W1214 PolarHBondContact O-N 2.95Å; W1214-T1216 VanDerWaalsContact C-N 3.32Å; W1214-T1216 PolarHBondContact O-N 3.38Å; W1214-W1217 AromaticContact CE3-CZ2 3.72Å; W1214-W1217 HydrophobicContact CE3-CZ2 3.72Å; W1214-W1217 AromaticContact CE3-NE1 3.96Å; W1214-W1217 AromaticContact CZ3-CZ2 3.92Å; W1214-W1217 HydrophobicContact CZ3-CZ2 3.92Å; W1214-L1218 VanDerWaalsContact O-CB 3.23Å; W1214-L1218 WeakPolarHBondContact O-CB 3.5Å; W1214-L1218 PolarHBondContact O-N 3.47Å |
| 1215 | S | 80.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.9 | -32.3 | -171.3 | -162.4 | 0 | 0 | 0 | 0 | 113.4 | T1157 A1158 L1194 G1212 G1213 W1217 S1219 | T1157-S1215 WeakPolarHBondContact O-CB 3.47Å; A1158-S1215 WeakPolarHBondContact CA-OG 3.26Å; L1194-S1215 WeakPolarHBondContact O-CB 3.48Å; L1194-S1215 PolarHBondContact O-OG 3.07Å; G1212-S1215 WeakPolarHBondContact O-CB 3.18Å; G1212-S1215 PolarHBondContact O-N 3.25Å; G1213-S1215 VanDerWaalsContact C-N 3.33Å; S1215-W1217 PolarHBondContact O-N 3.41Å; S1215-W1217 VanDerWaalsContact O-N 3.14Å; S1215-S1219 VanDerWaalsContact O-CB 3.29Å; S1215-S1219 WeakPolarHBondContact O-CB 3.1Å; S1215-S1219 PolarHBondContact O-N 2.94Å; S1215-S1219 PolarHBondContact O-OG 3.48Å; S1215-S1219 PolarHBondContact OG-OG 2.87Å |
| 1216 | T | 81.4 | Confident | 80.7 | Confident | 85 Ų | 85 | 58.5 Ų | 58.5 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -51.2 | -38.4 | -177.5 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | S1195 G1213 W1214 | S1195-T1216 WeakPolarHBondContact O-CG2 3.38Å; G1213-T1216 PolarHBondContact O-OG1 2.91Å; W1214-T1216 VanDerWaalsContact C-N 3.32Å; W1214-T1216 PolarHBondContact O-N 3.38Å |
| 1217 | W | 86.9 | Confident | 81.9 | Confident | 134 Ų | 134 | 54.2 Ų | 54.2 | 51% | 0.508 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -116 | -28.8 | -176.2 | 69.4 | -91 | 0 | 0 | 0 | 113.6 | W1214 S1215 I1221 | W1214-W1217 AromaticContact CE3-CZ2 3.72Å; W1214-W1217 HydrophobicContact CE3-CZ2 3.72Å; W1214-W1217 AromaticContact CE3-NE1 3.96Å; W1214-W1217 AromaticContact CZ3-CZ2 3.92Å; W1214-W1217 HydrophobicContact CZ3-CZ2 3.92Å; S1215-W1217 PolarHBondContact O-N 3.41Å; S1215-W1217 VanDerWaalsContact O-N 3.14Å; W1217-I1221 HydrophobicContact CE3-CD1 3.91Å; W1217-I1221 HydrophobicContact CZ3-CD1 4.21Å; W1217-I1221 WeakPolarHBondContact O-CD1 3.33Å; W1217-I1221 WeakPolarHBondContact O-CG1 3.31Å |
| 1218 | L | 87.8 | Confident | 83.2 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 23% | 0.225 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -80.2 | -40.5 | -176.1 | -174.5 | 57.2 | 0 | 0 | 0 | 112.4 | T1157 W1214 I1221 L1222 | T1157-L1218 HydrophobicContact CG2-CD2 3.57Å; T1157-L1218 HydrophobicContact CG2-CG 4.22Å; W1214-L1218 VanDerWaalsContact O-CB 3.23Å; W1214-L1218 WeakPolarHBondContact O-CB 3.5Å; W1214-L1218 PolarHBondContact O-N 3.47Å; L1218-I1221 PolarHBondContact O-N 3.32Å; L1218-L1222 HydrophobicContact CD1-CD1 4.3Å; L1218-L1222 HydrophobicContact CD1-CG 4.16Å; L1218-L1222 HydrophobicContact CG-CD1 3.91Å; L1218-L1222 HydrophobicContact CG-CG 4.25Å; L1218-L1222 WeakPolarHBondContact O-CG 3.25Å; L1218-L1222 PolarHBondContact O-N 3.46Å |
| 1219 | S | 85.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -42.8 | -179 | -61.8 | 0 | 0 | 0 | 0 | 113.5 | S1215 I1221 L1222 L1223 | S1215-S1219 VanDerWaalsContact O-CB 3.29Å; S1215-S1219 WeakPolarHBondContact O-CB 3.1Å; S1215-S1219 PolarHBondContact O-N 2.94Å; S1215-S1219 PolarHBondContact O-OG 3.48Å; S1215-S1219 PolarHBondContact OG-OG 2.87Å; S1219-I1221 PolarHBondContact O-N 2.86Å; S1219-L1222 PolarHBondContact O-N 3.22Å; S1219-L1223 WeakPolarHBondContact O-CB 3.46Å; S1219-L1223 PolarHBondContact O-N 2.88Å |
| 1220 | P | 87 | Confident | 85.2 | Confident | 51 Ų | 51 | 52 Ų | 52 | 33% | 0.331 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 172.1 | -20.4 | 27.9 | 0 | 0 | 0 | 114.1 | M1191 L1223 G1224 | M1191-P1220 HydrophobicContact CE-CB 3.97Å; M1191-P1220 HydrophobicContact CE-CG 3.7Å; P1220-L1223 PolarHBondContact O-N 3.2Å; P1220-G1224 PolarHBondContact O-N 3.38Å |
| 1221 | I | 90.7 | Very high | 85.8 | Confident | 96 Ų | 96 | 55.4 Ų | 55.4 | 49% | 0.492 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.1 | -46.5 | -178.8 | -65.7 | 173.5 | 0 | 0 | 0 | 110.4 | W1217 L1218 S1219 L1223 G1224 V1225 | W1217-I1221 HydrophobicContact CE3-CD1 3.91Å; W1217-I1221 HydrophobicContact CZ3-CD1 4.21Å; W1217-I1221 WeakPolarHBondContact O-CD1 3.33Å; W1217-I1221 WeakPolarHBondContact O-CG1 3.31Å; L1218-I1221 PolarHBondContact O-N 3.32Å; S1219-I1221 PolarHBondContact O-N 2.86Å; I1221-L1223 VanDerWaalsContact C-N 3.3Å; I1221-L1223 PolarHBondContact O-N 2.89Å; I1221-G1224 PolarHBondContact O-N 3.2Å; I1221-V1225 WeakPolarHBondContact O-CG2 3.13Å; I1221-V1225 PolarHBondContact O-N 3.11Å; I1221-V1225 VanDerWaalsContact O-N 3.07Å |
| 1222 | L | 89.9 | Confident | 86.5 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 177.4 | -70.4 | 175.8 | 0 | 0 | 0 | 111.3 | F1150 L1153 T1157 L1218 S1219 V1225 Y1226 | F1150-L1222 HydrophobicContact CE2-CB 4.06Å; F1150-L1222 WeakPolarHBondContact CE2-O 3.33Å; L1153-L1222 HydrophobicContact CD2-CD1 4.18Å; L1153-L1222 HydrophobicContact CD2-CD2 3.81Å; L1153-L1222 HydrophobicContact CG-CD1 4.02Å; T1157-L1222 HydrophobicContact CG2-CD1 3.91Å; L1218-L1222 HydrophobicContact CD1-CD1 4.3Å; L1218-L1222 HydrophobicContact CD1-CG 4.16Å; L1218-L1222 HydrophobicContact CG-CD1 3.91Å; L1218-L1222 HydrophobicContact CG-CG 4.25Å; L1218-L1222 WeakPolarHBondContact O-CG 3.25Å; L1218-L1222 PolarHBondContact O-N 3.46Å; S1219-L1222 PolarHBondContact O-N 3.22Å; L1222-V1225 PolarHBondContact O-N 3.29Å; L1222-Y1226 WeakPolarHBondContact O-CB 3.43Å; L1222-Y1226 PolarHBondContact O-N 2.65Å |
| 1223 | L | 89 | Confident | 87.2 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 175.5 | -178.3 | 65.6 | 0 | 0 | 0 | 112.4 | F1150 Q1184 Y1189 M1191 S1219 P1220 I1221 V1225 Y1226 V1227 | F1150-L1223 HydrophobicContact CE1-CD1 4.2Å; F1150-L1223 HydrophobicContact CZ-CB 4.26Å; F1150-L1223 HydrophobicContact CZ-CD1 3.93Å; Q1184-L1223 HydrophobicContact CB-CD1 4.07Å; Q1184-L1223 HydrophobicContact CG-CD1 4.05Å; Y1189-L1223 HydrophobicContact CD1-CD1 3.9Å; Y1189-L1223 HydrophobicContact CD1-CD2 3.67Å; Y1189-L1223 HydrophobicContact CD1-CG 4.18Å; Y1189-L1223 HydrophobicContact CE1-CD1 4.26Å; Y1189-L1223 HydrophobicContact CE1-CD2 4.37Å; Y1189-L1223 HydrophobicContact CG-CD2 3.95Å; M1191-L1223 HydrophobicContact SD-CD2 3.43Å; M1191-L1223 WeakPolarHBondContact SD-CD2 2.71Å; S1219-L1223 WeakPolarHBondContact O-CB 3.46Å; S1219-L1223 PolarHBondContact O-N 2.88Å; P1220-L1223 PolarHBondContact O-N 3.2Å; I1221-L1223 VanDerWaalsContact C-N 3.3Å; I1221-L1223 PolarHBondContact O-N 2.89Å; L1223-V1225 VanDerWaalsContact C-N 3.35Å; L1223-V1225 PolarHBondContact O-N 2.94Å; L1223-Y1226 HydrophobicContact CD1-CD1 4.34Å; L1223-Y1226 WeakPolarHBondContact O-CB 2.78Å; L1223-Y1226 PolarHBondContact O-N 3.01Å; L1223-V1227 HydrophobicContact CD1-CG2 4.34Å; L1223-V1227 WeakPolarHBondContact O-CG2 3.24Å; L1223-V1227 PolarHBondContact O-N 3.02Å |
| 1224 | G | 88.8 | Confident | 87.8 | Confident | 35 Ų | 35 | 61.1 Ų | 61.1 | 36% | 0.361 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | P1220 I1221 I1228 | P1220-G1224 PolarHBondContact O-N 3.38Å; I1221-G1224 PolarHBondContact O-N 3.2Å; G1224-I1228 WeakPolarHBondContact O-CG1 3.4Å; G1224-I1228 PolarHBondContact O-N 3.19Å |
| 1225 | V | 91.2 | Very high | 88.1 | Confident | 88 Ų | 88 | 57.5 Ų | 57.5 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | I1221 L1222 L1223 I1228 L1229 | I1221-V1225 WeakPolarHBondContact O-CG2 3.13Å; I1221-V1225 PolarHBondContact O-N 3.11Å; I1221-V1225 VanDerWaalsContact O-N 3.07Å; L1222-V1225 PolarHBondContact O-N 3.29Å; L1223-V1225 VanDerWaalsContact C-N 3.35Å; L1223-V1225 PolarHBondContact O-N 2.94Å; V1225-I1228 PolarHBondContact O-N 3.3Å; V1225-L1229 WeakPolarHBondContact O-CB 3.41Å; V1225-L1229 PolarHBondContact O-N 3.5Å |
| 1226 | Y | 91.8 | Very high | 88.5 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 179.3 | 176.9 | -112.9 | 0 | 0 | 0 | 113.3 | V1146 V1147 F1150 A1181 Q1184 V1185 L1222 L1223 L1229 T1230 | V1146-Y1226 HydrophobicContact CG1-CD2 4.29Å; V1146-Y1226 HydrophobicContact CG1-CE2 4.01Å; V1147-Y1226 WeakPolarHBondContact CG2-OH 3.36Å; F1150-Y1226 HydrophobicContact CB-CD2 3.64Å; F1150-Y1226 HydrophobicContact CB-CE2 3.62Å; F1150-Y1226 HydrophobicContact CB-CG 4.38Å; F1150-Y1226 AromaticContact CD1-CD1 3.5Å; F1150-Y1226 HydrophobicContact CD1-CD1 3.5Å; F1150-Y1226 VanDerWaalsContact CD1-CD1 3.5Å; F1150-Y1226 AromaticContact CD1-CD2 3.52Å; F1150-Y1226 HydrophobicContact CD1-CD2 3.52Å; F1150-Y1226 AromaticContact CD1-CE1 3.48Å; F1150-Y1226 HydrophobicContact CD1-CE1 3.48Å; F1150-Y1226 VanDerWaalsContact CD1-CE1 3.48Å; F1150-Y1226 AromaticContact CD1-CE2 3.51Å; F1150-Y1226 HydrophobicContact CD1-CE2 3.51Å; F1150-Y1226 AromaticContact CD1-CG 3.48Å; F1150-Y1226 HydrophobicContact CD1-CG 3.48Å; F1150-Y1226 VanDerWaalsContact CD1-CG 3.48Å; F1150-Y1226 AromaticContact CD1-CZ 3.46Å; F1150-Y1226 VanDerWaalsContact CD1-CZ 3.46Å; F1150-Y1226 AromaticContact CD2-CD2 3.94Å; F1150-Y1226 HydrophobicContact CD2-CD2 3.94Å; F1150-Y1226 AromaticContact CD2-CG 3.89Å; F1150-Y1226 HydrophobicContact CD2-CG 3.89Å; F1150-Y1226 AromaticContact CE1-CD1 3.31Å; F1150-Y1226 HydrophobicContact CE1-CD1 3.31Å; F1150-Y1226 HydrophobicContact CE1-CD2 4.13Å; F1150-Y1226 AromaticContact CE1-CE1 3.57Å; F1150-Y1226 HydrophobicContact CE1-CE1 3.57Å; F1150-Y1226 HydrophobicContact CE1-CE2 4.35Å; F1150-Y1226 AromaticContact CE1-CG 3.58Å; F1150-Y1226 HydrophobicContact CE1-CG 3.58Å; F1150-Y1226 HydrophobicContact CE2-CD1 4.48Å; F1150-Y1226 HydrophobicContact CE2-CG 4.01Å; F1150-Y1226 HydrophobicContact CG-CD1 4.16Å; F1150-Y1226 AromaticContact CG-CD2 3.4Å; F1150-Y1226 HydrophobicContact CG-CD2 3.4Å; F1150-Y1226 VanDerWaalsContact CG-CD2 3.4Å; F1150-Y1226 HydrophobicContact CG-CE1 4.38Å; F1150-Y1226 AromaticContact CG-CE2 3.67Å; F1150-Y1226 HydrophobicContact CG-CE2 3.67Å; F1150-Y1226 AromaticContact CG-CG 3.64Å; F1150-Y1226 HydrophobicContact CG-CG 3.64Å; F1150-Y1226 AromaticContact CZ-CD1 3.87Å; F1150-Y1226 HydrophobicContact CZ-CD1 3.87Å; F1150-Y1226 AromaticContact CZ-CG 3.87Å; F1150-Y1226 HydrophobicContact CZ-CG 3.87Å; A1181-Y1226 WeakPolarHBondContact O-CE1 3.25Å; A1181-Y1226 PolarHBondContact O-OH 3.45Å; Q1184-Y1226 HydrophobicContact CB-CE1 4.18Å; V1185-Y1226 HydrophobicContact CG2-CE1 3.64Å; V1185-Y1226 WeakPolarHBondContact CG2-OH 3.38Å; L1222-Y1226 WeakPolarHBondContact O-CB 3.43Å; L1222-Y1226 PolarHBondContact O-N 2.65Å; L1223-Y1226 HydrophobicContact CD1-CD1 4.34Å; L1223-Y1226 WeakPolarHBondContact O-CB 2.78Å; L1223-Y1226 PolarHBondContact O-N 3.01Å; Y1226-L1229 PolarHBondContact O-N 2.84Å; Y1226-T1230 HydrophobicContact CD2-CG2 4.09Å; Y1226-T1230 HydrophobicContact CE2-CG2 3.86Å; Y1226-T1230 WeakPolarHBondContact O-CB 3.16Å; Y1226-T1230 WeakPolarHBondContact O-CG2 3.38Å; Y1226-T1230 PolarHBondContact O-N 3.5Å; Y1226-T1230 PolarHBondContact O-OG1 3.37Å |
| 1227 | V | 89.2 | Confident | 89 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 177.5 | 173 | 0 | 0 | 0 | 0 | 111.2 | Y1189 L1223 T1230 Q1231 | Y1189-V1227 HydrophobicContact CE1-CG2 3.83Å; L1223-V1227 HydrophobicContact CD1-CG2 4.34Å; L1223-V1227 WeakPolarHBondContact O-CG2 3.24Å; L1223-V1227 PolarHBondContact O-N 3.02Å; V1227-T1230 PolarHBondContact O-N 3.44Å; V1227-T1230 PolarHBondContact O-OG1 2.98Å; V1227-Q1231 HydrophobicContact CG1-CG 4.27Å; V1227-Q1231 WeakPolarHBondContact O-CB 3.38Å; V1227-Q1231 WeakPolarHBondContact O-CG 3.49Å; V1227-Q1231 PolarHBondContact O-N 3.04Å |
| 1228 | I | 90.5 | Very high | 89.1 | Confident | 112 Ų | 112 | 56.8 Ų | 56.8 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.6 | -48.8 | 175.6 | -68 | 167.7 | 0 | 0 | 0 | 110.6 | G1224 V1225 T1230 V1232 | G1224-I1228 WeakPolarHBondContact O-CG1 3.4Å; G1224-I1228 PolarHBondContact O-N 3.19Å; V1225-I1228 PolarHBondContact O-N 3.3Å; I1228-T1230 VanDerWaalsContact C-N 3.35Å; I1228-T1230 PolarHBondContact O-N 2.83Å; I1228-V1232 HydrophobicContact CG2-CG2 4.43Å; I1228-V1232 VanDerWaalsContact O-CB 3.3Å; I1228-V1232 WeakPolarHBondContact O-CB 3.49Å; I1228-V1232 PolarHBondContact O-N 3.01Å |
| 1229 | L | 89.4 | Confident | 89.3 | Confident | 69 Ų | 69 | 59.5 Ų | 59.5 | 36% | 0.361 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -64.3 | -38.7 | -176.9 | -172.6 | 150.7 | 0 | 0 | 0 | 112 | V1146 V1225 Y1226 L1233 L1234 | V1146-L1229 HydrophobicContact CG1-CD2 3.55Å; V1146-L1229 HydrophobicContact CG2-CD2 4.14Å; V1225-L1229 WeakPolarHBondContact O-CB 3.41Å; V1225-L1229 PolarHBondContact O-N 3.5Å; Y1226-L1229 PolarHBondContact O-N 2.84Å; L1229-L1233 WeakPolarHBondContact O-CB 3.37Å; L1229-L1234 HydrophobicContact CD2-CD1 4.39Å |
| 1230 | T | 89.7 | Confident | 89.7 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 4% | 0.037 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -77.7 | -48.3 | 179.6 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | V1146 V1185 Y1226 V1227 I1228 L1234 L1235 | V1146-T1230 HydrophobicContact CG1-CG2 4.16Å; V1185-T1230 HydrophobicContact CG2-CG2 4.29Å; Y1226-T1230 HydrophobicContact CD2-CG2 4.09Å; Y1226-T1230 HydrophobicContact CE2-CG2 3.86Å; Y1226-T1230 WeakPolarHBondContact O-CB 3.16Å; Y1226-T1230 WeakPolarHBondContact O-CG2 3.38Å; Y1226-T1230 PolarHBondContact O-N 3.5Å; Y1226-T1230 PolarHBondContact O-OG1 3.37Å; V1227-T1230 PolarHBondContact O-N 3.44Å; V1227-T1230 PolarHBondContact O-OG1 2.98Å; I1228-T1230 VanDerWaalsContact C-N 3.35Å; I1228-T1230 PolarHBondContact O-N 2.83Å; T1230-L1234 HydrophobicContact CG2-CD1 4.37Å; T1230-L1234 WeakPolarHBondContact O-CB 3.35Å; T1230-L1234 PolarHBondContact O-N 3.42Å; T1230-L1235 PolarHBondContact O-N 3.1Å |
| 1231 | Q | 87.1 | Confident | 89.9 | Confident | 91 Ų | 91 | 63 Ų | 63 | 43% | 0.425 | 35% | 0.351 | S | S | . | . | I | π-helix | trans | -78.9 | -39.1 | -173.4 | -63.4 | -173.5 | -1.3 | 0 | 0 | 113.5 | V1227 L1235 | V1227-Q1231 HydrophobicContact CG1-CG 4.27Å; V1227-Q1231 WeakPolarHBondContact O-CB 3.38Å; V1227-Q1231 WeakPolarHBondContact O-CG 3.49Å; V1227-Q1231 PolarHBondContact O-N 3.04Å; Q1231-L1235 WeakPolarHBondContact O-CB 3.2Å |
| 1232 | V | 87.6 | Confident | 90 | Very high | 94 Ų | 94 | 61.1 Ų | 61.1 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | I | π-helix | trans | -84.6 | -43.1 | -174.7 | -177.6 | 0 | 0 | 0 | 0 | 112 | I1228 N1236 | I1228-V1232 HydrophobicContact CG2-CG2 4.43Å; I1228-V1232 VanDerWaalsContact O-CB 3.3Å; I1228-V1232 WeakPolarHBondContact O-CB 3.49Å; I1228-V1232 PolarHBondContact O-N 3.01Å; V1232-N1236 PolarHBondContact O-ND2 3.32Å |
| 1233 | L | 88.6 | Confident | 90.1 | Very high | 114 Ų | 114 | 62.3 Ų | 62.3 | 60% | 0.597 | 36% | 0.355 | S | S | * | . | I | π-helix | trans | -88.8 | -55.7 | -174.5 | -176 | 68.9 | 0 | 0 | 0 | 112.1 | L1229 | L1229-L1233 WeakPolarHBondContact O-CB 3.37Å |
| 1234 | L | 89.2 | Confident | 90.2 | Very high | 9 Ų | 9 | 65.7 Ų | 65.7 | 5% | 0.047 | 38% | 0.379 | C | S | . | . | I | π-helix | trans | -72 | -43 | -168.8 | -62.3 | -177.6 | 0 | 0 | 0 | 112.6 | F1139 L1142 F1143 V1146 L1229 T1230 N1236 L1237 V1238 | F1139-L1234 HydrophobicContact CE2-CB 3.76Å; F1139-L1234 HydrophobicContact CE2-CD2 4.38Å; F1139-L1234 WeakPolarHBondContact CE2-O 3.1Å; F1139-L1234 HydrophobicContact CZ-CB 3.86Å; L1142-L1234 HydrophobicContact CD2-CD2 3.71Å; L1142-L1234 HydrophobicContact CG-CD2 4.14Å; F1143-L1234 HydrophobicContact CD2-CD1 4.14Å; V1146-L1234 HydrophobicContact CG2-CD1 4.43Å; L1229-L1234 HydrophobicContact CD2-CD1 4.39Å; T1230-L1234 HydrophobicContact CG2-CD1 4.37Å; T1230-L1234 WeakPolarHBondContact O-CB 3.35Å; T1230-L1234 PolarHBondContact O-N 3.42Å; L1234-N1236 PolarHBondContact O-N 2.67Å; L1234-L1237 PolarHBondContact O-N 3.35Å; L1234-V1238 WeakPolarHBondContact O-CG2 2.97Å |
| 1235 | L | 87.9 | Confident | 90.2 | Very high | 102 Ų | 102 | 64.3 Ų | 64.3 | 53% | 0.534 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | -178 | -174.9 | 64.6 | 0 | 0 | 0 | 113 | T1230 Q1231 L1237 V1238 | T1230-L1235 PolarHBondContact O-N 3.1Å; Q1231-L1235 WeakPolarHBondContact O-CB 3.2Å; L1235-L1237 VanDerWaalsContact C-N 3.28Å; L1235-L1237 PolarHBondContact O-N 3.24Å; L1235-V1238 PolarHBondContact O-N 3.02Å |
| 1236 | N | 90.1 | Very high | 90 | Very high | 100 Ų | 100 | 64.4 Ų | 64.4 | 54% | 0.535 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.5 | -32.4 | -179.2 | -76.3 | -45.5 | 0 | 0 | 0 | 112.7 | V1232 L1234 A1240 | V1232-N1236 PolarHBondContact O-ND2 3.32Å; L1234-N1236 PolarHBondContact O-N 2.67Å; N1236-A1240 PolarHBondContact O-N 3.14Å |
| 1237 | L | 90.8 | Very high | 90 | Very high | 86 Ų | 86 | 70.1 Ų | 70.1 | 45% | 0.45 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 178.1 | -175.9 | 63.8 | 0 | 0 | 0 | 111.9 | L1234 L1235 I1239 A1240 M1241 | L1234-L1237 PolarHBondContact O-N 3.35Å; L1235-L1237 VanDerWaalsContact C-N 3.28Å; L1235-L1237 PolarHBondContact O-N 3.24Å; L1237-I1239 PolarHBondContact O-N 3.45Å; L1237-A1240 PolarHBondContact O-N 2.91Å; L1237-M1241 HydrophobicContact CG-SD 4.14Å; L1237-M1241 WeakPolarHBondContact O-CG 3.41Å; L1237-M1241 PolarHBondContact O-N 2.99Å; L1237-M1241 VanDerWaalsContact O-N 3.15Å |
| 1238 | V | 90.8 | Very high | 89.7 | Confident | 17 Ų | 17 | 75 Ų | 75 | 10% | 0.103 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.1 | -35.9 | -177.3 | 133.2 | 0 | 0 | 0 | 0 | 112.1 | F1139 L1234 L1235 A1240 M1241 F1242 | F1139-V1238 HydrophobicContact CD1-CG2 3.85Å; F1139-V1238 HydrophobicContact CD2-CB 4.36Å; F1139-V1238 HydrophobicContact CD2-CG2 3.66Å; F1139-V1238 HydrophobicContact CE1-CG2 3.65Å; F1139-V1238 HydrophobicContact CE2-CG2 3.44Å; F1139-V1238 VanDerWaalsContact CE2-CG2 3.44Å; F1139-V1238 HydrophobicContact CG-CB 4.33Å; F1139-V1238 HydrophobicContact CG-CG2 3.85Å; F1139-V1238 HydrophobicContact CZ-CG2 3.43Å; F1139-V1238 VanDerWaalsContact CZ-CG2 3.43Å; L1234-V1238 WeakPolarHBondContact O-CG2 2.97Å; L1235-V1238 PolarHBondContact O-N 3.02Å; V1238-A1240 VanDerWaalsContact C-N 3.34Å; V1238-A1240 PolarHBondContact O-N 2.88Å; V1238-M1241 PolarHBondContact O-N 3.46Å; V1238-F1242 HydrophobicContact CG1-CD2 4Å; V1238-F1242 HydrophobicContact CG1-CE1 4.38Å; V1238-F1242 HydrophobicContact CG1-CE2 3.51Å; V1238-F1242 HydrophobicContact CG1-CZ 3.72Å; V1238-F1242 WeakPolarHBondContact O-CG 3.48Å; V1238-F1242 PolarHBondContact O-N 3.4Å |
| 1239 | I | 91.5 | Very high | 89.3 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 176.3 | -62.5 | 170 | 0 | 0 | 0 | 110.5 | L1237 M1241 F1242 A1243 | L1237-I1239 PolarHBondContact O-N 3.45Å; I1239-M1241 PolarHBondContact O-N 3.47Å; I1239-F1242 PolarHBondContact O-N 3.37Å; I1239-A1243 PolarHBondContact O-N 3.38Å |
| 1240 | A | 92.7 | Very high | 89.1 | Confident | 64 Ų | 64 | 71.2 Ų | 71.2 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1236 L1237 V1238 S1244 | N1236-A1240 PolarHBondContact O-N 3.14Å; L1237-A1240 PolarHBondContact O-N 2.91Å; V1238-A1240 VanDerWaalsContact C-N 3.34Å; V1238-A1240 PolarHBondContact O-N 2.88Å; A1240-S1244 PolarHBondContact O-N 3.41Å |
| 1241 | M | 91 | Very high | 88.8 | Confident | 60 Ų | 60 | 76 Ų | 76 | 30% | 0.296 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 177.3 | -68.5 | 171.7 | 70.2 | 0 | 0 | 111.8 | D1135 L1237 V1238 I1239 A1243 S1244 T1245 | D1135-M1241 HydrophobicContact CB-CB 4.11Å; D1135-M1241 HydrophobicContact CB-CE 3.99Å; L1237-M1241 HydrophobicContact CG-SD 4.14Å; L1237-M1241 WeakPolarHBondContact O-CG 3.41Å; L1237-M1241 PolarHBondContact O-N 2.99Å; L1237-M1241 VanDerWaalsContact O-N 3.15Å; V1238-M1241 PolarHBondContact O-N 3.46Å; I1239-M1241 PolarHBondContact O-N 3.47Å; M1241-A1243 PolarHBondContact O-N 2.9Å; M1241-S1244 PolarHBondContact O-N 2.83Å; M1241-T1245 PolarHBondContact O-N 2.91Å |
| 1242 | F | 92.5 | Very high | 88.4 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 25% | 0.254 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | -180 | -67.4 | -18.7 | 0 | 0 | 0 | 112.9 | M1131 D1135 L1136 V1238 I1239 S1244 T1245 Y1246 | M1131-F1242 HydrophobicContact CB-CD1 3.78Å; M1131-F1242 HydrophobicContact CB-CE1 3.95Å; M1131-F1242 HydrophobicContact CB-CG 4.48Å; M1131-F1242 HydrophobicContact CE-CB 4.37Å; M1131-F1242 WeakPolarHBondContact CE-O 3.43Å; M1131-F1242 HydrophobicContact CG-CB 4.46Å; M1131-F1242 HydrophobicContact CG-CD1 4.03Å; M1131-F1242 HydrophobicContact CG-CG 4.41Å; D1135-F1242 HydrophobicContact CB-CD1 3.77Å; D1135-F1242 HydrophobicContact CB-CE1 3.78Å; L1136-F1242 HydrophobicContact CB-CE1 4.27Å; L1136-F1242 HydrophobicContact CB-CZ 4.22Å; L1136-F1242 HydrophobicContact CD1-CZ 4.43Å; V1238-F1242 HydrophobicContact CG1-CD2 4Å; V1238-F1242 HydrophobicContact CG1-CE1 4.38Å; V1238-F1242 HydrophobicContact CG1-CE2 3.51Å; V1238-F1242 HydrophobicContact CG1-CZ 3.72Å; V1238-F1242 WeakPolarHBondContact O-CG 3.48Å; V1238-F1242 PolarHBondContact O-N 3.4Å; I1239-F1242 PolarHBondContact O-N 3.37Å; F1242-S1244 VanDerWaalsContact C-N 3.31Å; F1242-S1244 PolarHBondContact O-N 3.36Å; F1242-T1245 PolarHBondContact O-N 3.49Å; F1242-T1245 VanDerWaalsContact O-N 3.16Å; F1242-Y1246 PolarHBondContact O-N 3.42Å |
| 1243 | A | 92.1 | Very high | 88.1 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 49% | 0.488 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.2 | -38.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | I1239 M1241 Y1246 | I1239-A1243 PolarHBondContact O-N 3.38Å; M1241-A1243 PolarHBondContact O-N 2.9Å; A1243-Y1246 WeakPolarHBondContact O-CB 3.36Å; A1243-Y1246 PolarHBondContact O-N 3.39Å |
| 1244 | S | 91.7 | Very high | 87.7 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 58% | 0.58 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.8 | -40 | 175.7 | -175.7 | 0 | 0 | 0 | 0 | 112.5 | A1240 M1241 F1242 | A1240-S1244 PolarHBondContact O-N 3.41Å; M1241-S1244 PolarHBondContact O-N 2.83Å; F1242-S1244 VanDerWaalsContact C-N 3.31Å; F1242-S1244 PolarHBondContact O-N 3.36Å |
| 1245 | T | 87.8 | Confident | 87.5 | Confident | 6 Ų | 6 | 73.3 Ų | 73.3 | 4% | 0.037 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 176.8 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | M1131 D1135 M1241 F1242 I1249 | M1131-T1245 HydrophobicContact CG-CG2 3.82Å; D1135-T1245 VanDerWaalsContact OD2-CB 3.32Å; D1135-T1245 WeakPolarHBondContact OD2-CB 3.4Å; D1135-T1245 PolarHBondContact OD2-OG1 3.41Å; M1241-T1245 PolarHBondContact O-N 2.91Å; F1242-T1245 PolarHBondContact O-N 3.49Å; F1242-T1245 VanDerWaalsContact O-N 3.16Å; T1245-I1249 HydrophobicContact CG2-CD1 3.94Å; T1245-I1249 WeakPolarHBondContact O-CG1 3.47Å |
| 1246 | Y | 88.8 | Confident | 87.1 | Confident | 90 Ų | 90 | 73 Ų | 73 | 35% | 0.353 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.9 | -64 | 176 | -179.8 | -79.8 | 0 | 0 | 0 | 112.1 | M1127 M1131 F1242 A1243 R1248 I1249 E1250 | M1127-Y1246 HydrophobicContact CE-CD2 3.63Å; M1127-Y1246 HydrophobicContact CE-CE2 3.74Å; M1127-Y1246 HydrophobicContact CE-CG 3.98Å; M1127-Y1246 HydrophobicContact SD-CD2 3.13Å; M1127-Y1246 WeakPolarHBondContact SD-CD2 3.43Å; M1127-Y1246 HydrophobicContact SD-CE2 3.56Å; M1127-Y1246 VanDerWaalsContact SD-CE2 3.56Å; M1127-Y1246 HydrophobicContact SD-CG 3.86Å; M1131-Y1246 HydrophobicContact CE-CD2 4.47Å; F1242-Y1246 PolarHBondContact O-N 3.42Å; A1243-Y1246 WeakPolarHBondContact O-CB 3.36Å; A1243-Y1246 PolarHBondContact O-N 3.39Å; Y1246-R1248 VanDerWaalsContact C-N 3.27Å; Y1246-R1248 PolarHBondContact O-N 2.88Å; Y1246-I1249 PolarHBondContact O-N 3.33Å; Y1246-E1250 HydrophobicContact CE1-CB 4.39Å; Y1246-E1250 VanDerWaalsContact CE1-OE2 3.32Å; Y1246-E1250 WeakPolarHBondContact CE1-OE2 3.37Å; Y1246-E1250 PolarHBondContact O-N 3.22Å; Y1246-E1250 PolarHBondContact OH-OE1 2.85Å |
| 1247 | M | 89.9 | Confident | 86.8 | Confident | 129 Ų | 129 | 69.6 Ų | 69.6 | 64% | 0.635 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.4 | -36.7 | -169.2 | -64.6 | -68.6 | -94.1 | 0 | 0 | 112.4 | I1249 | M1247-I1249 VanDerWaalsContact C-N 3.32Å; M1247-I1249 PolarHBondContact O-N 3.06Å |
| 1248 | R | 84.3 | Confident | 86.5 | Confident | 126 Ų | 126 | 65.5 Ų | 65.5 | 48% | 0.475 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.6 | -31.9 | -179.8 | -176.1 | 171.5 | 57.6 | 91.6 | 5.9 | 113.1 | Y1246 S1251 | Y1246-R1248 VanDerWaalsContact C-N 3.27Å; Y1246-R1248 PolarHBondContact O-N 2.88Å; R1248-S1251 PolarHBondContact O-OG 3.13Å |
| 1249 | I | 81.6 | Confident | 86.3 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 7% | 0.072 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -85.9 | -38.4 | -178.5 | -64.8 | 172.8 | 0 | 0 | 0 | 110.8 | M1127 T1245 Y1246 M1247 S1251 A1252 S1253 | M1127-I1249 HydrophobicContact CB-CD1 4.41Å; M1127-I1249 HydrophobicContact CE-CB 4.39Å; M1127-I1249 HydrophobicContact CE-CG2 4.49Å; M1127-I1249 HydrophobicContact CG-CD1 4.4Å; T1245-I1249 HydrophobicContact CG2-CD1 3.94Å; T1245-I1249 WeakPolarHBondContact O-CG1 3.47Å; Y1246-I1249 PolarHBondContact O-N 3.33Å; M1247-I1249 VanDerWaalsContact C-N 3.32Å; M1247-I1249 PolarHBondContact O-N 3.06Å; I1249-S1251 PolarHBondContact O-N 3.41Å; I1249-A1252 PolarHBondContact O-N 3.02Å; I1249-S1253 PolarHBondContact O-N 3.39Å |
| 1250 | E | 85 | Confident | 85.9 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 41% | 0.411 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.7 | -45.4 | -177 | -173.5 | 174.4 | -127.7 | 0 | 0 | 113 | Y1246 A1252 S1253 | Y1246-E1250 HydrophobicContact CE1-CB 4.39Å; Y1246-E1250 VanDerWaalsContact CE1-OE2 3.32Å; Y1246-E1250 WeakPolarHBondContact CE1-OE2 3.37Å; Y1246-E1250 PolarHBondContact O-N 3.22Å; Y1246-E1250 PolarHBondContact OH-OE1 2.85Å; E1250-A1252 PolarHBondContact O-N 3.5Å; E1250-S1253 WeakPolarHBondContact O-CB 3.32Å; E1250-S1253 PolarHBondContact O-N 3.06Å; E1250-S1253 PolarHBondContact O-OG 3.04Å |
| 1251 | S | 83.1 | Confident | 85.7 | Confident | 107 Ų | 107 | 62.8 Ų | 62.8 | 75% | 0.748 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -18.3 | -179.7 | 65.2 | 0 | 0 | 0 | 0 | 115.5 | R1248 I1249 | R1248-S1251 PolarHBondContact O-OG 3.13Å; I1249-S1251 PolarHBondContact O-N 3.41Å |
| 1252 | A | 78.9 | Confident | 85.5 | Confident | 22 Ų | 22 | 61 Ų | 61 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 11.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | I1249 E1250 T1254 K1255 Y1256 | I1249-A1252 PolarHBondContact O-N 3.02Å; E1250-A1252 PolarHBondContact O-N 3.5Å; A1252-T1254 PolarHBondContact O-N 3.05Å; A1252-K1255 WeakPolarHBondContact O-CB 3.19Å; A1252-K1255 PolarHBondContact O-N 3.06Å; A1252-K1255 VanDerWaalsContact O-N 3.16Å; A1252-Y1256 HydrophobicContact CB-CD2 3.68Å; A1252-Y1256 HydrophobicContact CB-CE2 3.62Å; A1252-Y1256 VanDerWaalsContact O-CD2 3.32Å; A1252-Y1256 WeakPolarHBondContact O-CD2 3.36Å; A1252-Y1256 PolarHBondContact O-N 2.61Å |
| 1253 | S | 81.4 | Confident | 85.2 | Confident | 33 Ų | 33 | 62.1 Ų | 62.1 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -52.1 | -44.9 | -172.2 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | I1249 E1250 Y1256 W1257 | I1249-S1253 PolarHBondContact O-N 3.39Å; E1250-S1253 WeakPolarHBondContact O-CB 3.32Å; E1250-S1253 PolarHBondContact O-N 3.06Å; E1250-S1253 PolarHBondContact O-OG 3.04Å; S1253-Y1256 PolarHBondContact O-N 3.47Å; S1253-W1257 WeakPolarHBondContact O-CB 3.47Å; S1253-W1257 PolarHBondContact O-N 2.8Å |
| 1254 | T | 80.6 | Confident | 84.9 | Confident | 99 Ų | 99 | 60 Ų | 60 | 61% | 0.607 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.4 | -44 | 179.3 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | A1252 W1257 A1258 | A1252-T1254 PolarHBondContact O-N 3.05Å; T1254-W1257 PolarHBondContact O-N 3.41Å; T1254-A1258 PolarHBondContact O-N 2.94Å |
| 1255 | K | 84 | Confident | 84.7 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 42% | 0.422 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.1 | -76.4 | 176 | -174.2 | 172.2 | 0 | 111.8 | M872 A1252 L1259 | M872-K1255 HydrophobicContact CB-CB 3.84Å; M872-K1255 HydrophobicContact CB-CG 4.28Å; M872-K1255 HydrophobicContact CG-CB 4.49Å; M872-K1255 HydrophobicContact SD-CB 4.09Å; A1252-K1255 WeakPolarHBondContact O-CB 3.19Å; A1252-K1255 PolarHBondContact O-N 3.06Å; A1252-K1255 VanDerWaalsContact O-N 3.16Å; K1255-L1259 PolarHBondContact O-N 3.2Å |
| 1256 | Y | 80.4 | Confident | 84.5 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 38% | 0.376 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 172.4 | -82.8 | -64.8 | 0 | 0 | 0 | 112.1 | M872 A1252 S1253 L1259 Q1260 | M872-Y1256 HydrophobicContact CE-CD1 4.03Å; M872-Y1256 HydrophobicContact CE-CE1 3.52Å; M872-Y1256 HydrophobicContact SD-CE1 4.48Å; A1252-Y1256 HydrophobicContact CB-CD2 3.68Å; A1252-Y1256 HydrophobicContact CB-CE2 3.62Å; A1252-Y1256 VanDerWaalsContact O-CD2 3.32Å; A1252-Y1256 WeakPolarHBondContact O-CD2 3.36Å; A1252-Y1256 PolarHBondContact O-N 2.61Å; S1253-Y1256 PolarHBondContact O-N 3.47Å; Y1256-L1259 PolarHBondContact O-N 2.92Å; Y1256-Q1260 WeakPolarHBondContact O-CB 3.42Å; Y1256-Q1260 PolarHBondContact O-N 3.08Å |
| 1257 | W | 83.2 | Confident | 84.1 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 10% | 0.102 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -40.6 | 177.8 | 179.2 | 78.4 | 0 | 0 | 0 | 112.5 | I1119 P1123 S1253 T1254 L1259 Q1260 R1261 | I1119-W1257 HydrophobicContact CB-CD2 4.25Å; I1119-W1257 HydrophobicContact CB-CH2 4.1Å; I1119-W1257 HydrophobicContact CB-CZ2 3.74Å; I1119-W1257 HydrophobicContact CD1-CD2 4.5Å; I1119-W1257 HydrophobicContact CD1-CE3 4.04Å; I1119-W1257 HydrophobicContact CD1-CH2 3.85Å; I1119-W1257 HydrophobicContact CD1-CZ2 4.36Å; I1119-W1257 HydrophobicContact CD1-CZ3 3.69Å; I1119-W1257 HydrophobicContact CG1-CD2 3.84Å; I1119-W1257 HydrophobicContact CG1-CE3 3.86Å; I1119-W1257 HydrophobicContact CG1-CG 4.46Å; I1119-W1257 HydrophobicContact CG1-CH2 4Å; I1119-W1257 HydrophobicContact CG1-CZ2 4.02Å; I1119-W1257 HydrophobicContact CG1-CZ3 3.94Å; P1123-W1257 HydrophobicContact CG-CB 4.35Å; S1253-W1257 WeakPolarHBondContact O-CB 3.47Å; S1253-W1257 PolarHBondContact O-N 2.8Å; T1254-W1257 PolarHBondContact O-N 3.41Å; W1257-L1259 PolarHBondContact O-N 3.32Å; W1257-Q1260 PolarHBondContact O-N 2.9Å; W1257-R1261 VanDerWaalsContact O-CB 3.26Å; W1257-R1261 WeakPolarHBondContact O-CB 3.3Å; W1257-R1261 PolarHBondContact O-N 2.87Å |
| 1258 | A | 85.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I875 T1254 R1261 Y1262 | I875-A1258 HydrophobicContact CG2-CB 4.23Å; I875-A1258 WeakPolarHBondContact CG2-O 3.24Å; T1254-A1258 PolarHBondContact O-N 2.94Å; A1258-R1261 PolarHBondContact O-N 3.29Å; A1258-Y1262 PolarHBondContact O-N 3.32Å; A1258-Y1262 VanDerWaalsContact O-N 3.16Å |
| 1259 | L | 87 | Confident | 83.9 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 10% | 0.099 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 173 | 176.7 | 63.2 | 0 | 0 | 0 | 112.1 | A867 I875 K1255 Y1256 W1257 R1261 Y1262 H1263 | A867-L1259 HydrophobicContact CB-CD1 4.4Å; I875-L1259 HydrophobicContact CD1-CD1 3.55Å; K1255-L1259 PolarHBondContact O-N 3.2Å; Y1256-L1259 PolarHBondContact O-N 2.92Å; W1257-L1259 PolarHBondContact O-N 3.32Å; L1259-R1261 VanDerWaalsContact C-N 3.35Å; L1259-R1261 PolarHBondContact O-N 2.84Å; L1259-Y1262 WeakPolarHBondContact O-CB 3.23Å; L1259-Y1262 PolarHBondContact O-N 3.24Å; L1259-H1263 PolarHBondContact O-CD2 3.06Å; L1259-H1263 PolarHBondContact O-N 2.87Å |
| 1260 | Q | 82.8 | Confident | 83.8 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 29% | 0.285 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.5 | -39.2 | 177.1 | -174.5 | 65.6 | 6.8 | 0 | 0 | 111.9 | I1126 Y1256 W1257 Y1262 H1263 I1264 | I1126-Q1260 HydrophobicContact CD1-CB 4.38Å; I1126-Q1260 HydrophobicContact CD1-CG 4.12Å; Y1256-Q1260 WeakPolarHBondContact O-CB 3.42Å; Y1256-Q1260 PolarHBondContact O-N 3.08Å; W1257-Q1260 PolarHBondContact O-N 2.9Å; Q1260-Y1262 VanDerWaalsContact C-N 3.34Å; Q1260-Y1262 PolarHBondContact O-N 3.39Å; Q1260-H1263 PolarHBondContact O-N 3.26Å; Q1260-H1263 VanDerWaalsContact O-N 3.14Å; Q1260-I1264 HydrophobicContact CG-CD1 3.9Å; Q1260-I1264 HydrophobicContact CG-CG1 4.46Å; Q1260-I1264 WeakPolarHBondContact O-CG1 3.47Å; Q1260-I1264 PolarHBondContact O-N 3.17Å |
| 1261 | R | 87.2 | Confident | 83.6 | Confident | 43 Ų | 43 | 43.3 Ų | 43.3 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 175.8 | -175 | -178.2 | -176.5 | -169.8 | -0 | 111.3 | W1257 A1258 L1259 H1263 I1264 V1265 | W1257-R1261 VanDerWaalsContact O-CB 3.26Å; W1257-R1261 WeakPolarHBondContact O-CB 3.3Å; W1257-R1261 PolarHBondContact O-N 2.87Å; A1258-R1261 PolarHBondContact O-N 3.29Å; L1259-R1261 VanDerWaalsContact C-N 3.35Å; L1259-R1261 PolarHBondContact O-N 2.84Å; R1261-H1263 VanDerWaalsContact C-N 3.35Å; R1261-H1263 PolarHBondContact O-N 3.06Å; R1261-I1264 PolarHBondContact O-N 2.88Å; R1261-V1265 HydrophobicContact CG-CG2 4.26Å; R1261-V1265 WeakPolarHBondContact O-CB 3.31Å; R1261-V1265 VanDerWaalsContact O-CG2 3.22Å; R1261-V1265 WeakPolarHBondContact O-CG2 3.25Å; R1261-V1265 PolarHBondContact O-N 3.01Å |
| 1262 | Y | 88.7 | Confident | 83.6 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.7 | -48.8 | 171.9 | 167.7 | -98.8 | 0 | 0 | 0 | 111.7 | L863 A867 L884 A1258 L1259 Q1260 V1265 G1266 F1306 | L863-Y1262 HydrophobicContact CD1-CD2 4.3Å; L863-Y1262 HydrophobicContact CD2-CD2 3.84Å; L863-Y1262 HydrophobicContact CD2-CE2 3.66Å; L863-Y1262 HydrophobicContact CG-CD2 3.82Å; L863-Y1262 HydrophobicContact CG-CE2 3.58Å; A867-Y1262 HydrophobicContact CB-CD1 3.74Å; A867-Y1262 HydrophobicContact CB-CE1 3.38Å; L884-Y1262 HydrophobicContact CD2-CD2 4.19Å; A1258-Y1262 PolarHBondContact O-N 3.32Å; A1258-Y1262 VanDerWaalsContact O-N 3.16Å; L1259-Y1262 WeakPolarHBondContact O-CB 3.23Å; L1259-Y1262 PolarHBondContact O-N 3.24Å; Q1260-Y1262 VanDerWaalsContact C-N 3.34Å; Q1260-Y1262 PolarHBondContact O-N 3.39Å; Y1262-V1265 PolarHBondContact O-N 3.36Å; Y1262-G1266 PolarHBondContact O-N 3.2Å; Y1262-F1306 HydrophobicContact CD2-CD2 4.13Å; Y1262-F1306 HydrophobicContact CD2-CE1 4.44Å; Y1262-F1306 AromaticContact CD2-CE2 3.77Å; Y1262-F1306 HydrophobicContact CD2-CE2 3.77Å; Y1262-F1306 AromaticContact CD2-CZ 3.95Å; Y1262-F1306 HydrophobicContact CD2-CZ 3.95Å; Y1262-F1306 HydrophobicContact CE2-CB 4.37Å; Y1262-F1306 HydrophobicContact CE2-CD1 4.25Å; Y1262-F1306 AromaticContact CE2-CD2 3.3Å; Y1262-F1306 HydrophobicContact CE2-CD2 3.3Å; Y1262-F1306 HydrophobicContact CE2-CE1 4.36Å; Y1262-F1306 AromaticContact CE2-CE2 3.4Å; Y1262-F1306 HydrophobicContact CE2-CE2 3.4Å; Y1262-F1306 AromaticContact CE2-CG 3.76Å; Y1262-F1306 HydrophobicContact CE2-CG 3.76Å; Y1262-F1306 AromaticContact CE2-CZ 3.96Å; Y1262-F1306 HydrophobicContact CE2-CZ 3.96Å; Y1262-F1306 AromaticContact CZ-CD2 3.75Å; Y1262-F1306 AromaticContact CZ-CE2 3.99Å |
| 1263 | H | 85.5 | Confident | 83.7 | Confident | 83 Ų | 83 | 38.2 Ų | 38.2 | 38% | 0.384 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 178.7 | -66 | -57.4 | 0 | 0 | 0 | 112.8 | L1259 Q1260 R1261 G1266 E1267 | L1259-H1263 PolarHBondContact O-CD2 3.06Å; L1259-H1263 PolarHBondContact O-N 2.87Å; Q1260-H1263 PolarHBondContact O-N 3.26Å; Q1260-H1263 VanDerWaalsContact O-N 3.14Å; R1261-H1263 VanDerWaalsContact C-N 3.35Å; R1261-H1263 PolarHBondContact O-N 3.06Å; H1263-G1266 PolarHBondContact O-N 3.46Å; H1263-E1267 PolarHBondContact O-N 2.84Å |
| 1264 | I | 84.7 | Confident | 83.9 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -48.7 | 177.5 | -69.2 | 166.3 | 0 | 0 | 0 | 111.3 | W888 V1117 Q1260 R1261 G1266 E1267 Y1268 | W888-I1264 HydrophobicContact CZ3-CG2 4.4Å; V1117-I1264 HydrophobicContact CG2-CD1 4.46Å; V1117-I1264 HydrophobicContact CG2-CG2 4.05Å; Q1260-I1264 HydrophobicContact CG-CD1 3.9Å; Q1260-I1264 HydrophobicContact CG-CG1 4.46Å; Q1260-I1264 WeakPolarHBondContact O-CG1 3.47Å; Q1260-I1264 PolarHBondContact O-N 3.17Å; R1261-I1264 PolarHBondContact O-N 2.88Å; I1264-G1266 VanDerWaalsContact C-N 3.26Å; I1264-G1266 PolarHBondContact O-N 3.42Å; I1264-E1267 PolarHBondContact O-N 3.11Å; I1264-E1267 VanDerWaalsContact O-N 3.14Å; I1264-Y1268 HydrophobicContact CG2-CD2 4Å; I1264-Y1268 HydrophobicContact CG2-CE2 4.22Å; I1264-Y1268 WeakPolarHBondContact O-CD2 3.18Å; I1264-Y1268 PolarHBondContact O-N 2.96Å; I1264-Y1268 VanDerWaalsContact O-N 3.07Å |
| 1265 | V | 87.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 178.9 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | L884 V887 W888 R1261 Y1262 E1267 Y1268 V1269 F1306 | L884-V1265 HydrophobicContact CD2-CB 4.09Å; L884-V1265 HydrophobicContact CD2-CG1 4.18Å; L884-V1265 HydrophobicContact CD2-CG2 4.27Å; V887-V1265 HydrophobicContact CB-CG1 4.09Å; V887-V1265 HydrophobicContact CG1-CG1 3.48Å; V887-V1265 VanDerWaalsContact CG1-CG1 3.48Å; W888-V1265 HydrophobicContact CE3-CG2 3.93Å; R1261-V1265 HydrophobicContact CG-CG2 4.26Å; R1261-V1265 WeakPolarHBondContact O-CB 3.31Å; R1261-V1265 VanDerWaalsContact O-CG2 3.22Å; R1261-V1265 WeakPolarHBondContact O-CG2 3.25Å; R1261-V1265 PolarHBondContact O-N 3.01Å; Y1262-V1265 PolarHBondContact O-N 3.36Å; V1265-E1267 PolarHBondContact O-N 2.91Å; V1265-Y1268 PolarHBondContact O-N 2.84Å; V1265-V1269 HydrophobicContact CG1-CG2 4.25Å; V1265-V1269 VanDerWaalsContact O-CG2 3.25Å; V1265-V1269 WeakPolarHBondContact O-CG2 3.15Å; V1265-V1269 PolarHBondContact O-N 2.9Å; V1265-F1306 HydrophobicContact CB-CZ 4.08Å; V1265-F1306 HydrophobicContact CG1-CE1 4.21Å; V1265-F1306 HydrophobicContact CG1-CZ 3.79Å |
| 1266 | G | 83.8 | Confident | 84.2 | Confident | 10 Ų | 10 | 31.8 Ų | 31.8 | 10% | 0.103 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y1262 H1263 I1264 N1270 F1306 | Y1262-G1266 PolarHBondContact O-N 3.2Å; H1263-G1266 PolarHBondContact O-N 3.46Å; I1264-G1266 VanDerWaalsContact C-N 3.26Å; I1264-G1266 PolarHBondContact O-N 3.42Å; G1266-N1270 PolarHBondContact O-N 2.94Å; G1266-N1270 PolarHBondContact O-ND2 2.79Å; G1266-F1306 VanDerWaalsContact CA-CE2 3.42Å |
| 1267 | E | 81 | Confident | 84.4 | Confident | 40 Ų | 40 | 28.4 Ų | 28.4 | 19% | 0.187 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -48.4 | 175.9 | -169.4 | 163.7 | 151.6 | 0 | 0 | 111 | K1049 H1263 I1264 V1265 N1270 R1271 | K1049-E1267 WeakPolarHBondContact CE-OE1 3.23Å; K1049-E1267 IonicContact NZ-OE1 3.21Å; K1049-E1267 PolarHBondContact NZ-OE1 3.3Å; H1263-E1267 PolarHBondContact O-N 2.84Å; I1264-E1267 PolarHBondContact O-N 3.11Å; I1264-E1267 VanDerWaalsContact O-N 3.14Å; V1265-E1267 PolarHBondContact O-N 2.91Å; E1267-N1270 PolarHBondContact O-N 2.87Å; E1267-R1271 PolarHBondContact O-N 3.35Å; E1267-R1271 VanDerWaalsContact O-N 3.1Å |
| 1268 | Y | 86 | Confident | 84.5 | Confident | 15 Ų | 15 | 31.8 Ų | 31.8 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.7 | -25.4 | -177 | -78.1 | -77.9 | 0 | 0 | 0 | 115.2 | W888 R981 F982 T985 I1264 V1265 N1270 | W888-Y1268 HydrophobicContact CZ3-CD2 4.33Å; W888-Y1268 HydrophobicContact CZ3-CG 4.48Å; R981-Y1268 PolarHBondContact NH1-O 2.75Å; F982-Y1268 HydrophobicContact CB-CD1 4.13Å; F982-Y1268 HydrophobicContact CB-CE1 4.22Å; F982-Y1268 HydrophobicContact CB-CG 4.41Å; F982-Y1268 HydrophobicContact CD2-CD2 4.47Å; F982-Y1268 HydrophobicContact CD2-CE1 4.01Å; F982-Y1268 AromaticContact CD2-CE2 3.86Å; F982-Y1268 HydrophobicContact CD2-CE2 3.86Å; F982-Y1268 AromaticContact CD2-CZ 3.62Å; T985-Y1268 HydrophobicContact CG2-CE1 4.49Å; I1264-Y1268 HydrophobicContact CG2-CD2 4Å; I1264-Y1268 HydrophobicContact CG2-CE2 4.22Å; I1264-Y1268 WeakPolarHBondContact O-CD2 3.18Å; I1264-Y1268 PolarHBondContact O-N 2.96Å; I1264-Y1268 VanDerWaalsContact O-N 3.07Å; V1265-Y1268 PolarHBondContact O-N 2.84Å; Y1268-N1270 VanDerWaalsContact C-N 3.35Å |
| 1269 | V | 84.8 | Confident | 84.6 | Confident | 27 Ų | 27 | 31.8 Ų | 31.8 | 16% | 0.164 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.5 | -33 | 171.6 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | V887 P978 R981 V1265 P1305 | V887-V1269 HydrophobicContact CG1-CG2 3.62Å; P978-V1269 HydrophobicContact CB-CG2 4.26Å; P978-V1269 HydrophobicContact CG-CB 4.42Å; P978-V1269 HydrophobicContact CG-CG2 3.41Å; P978-V1269 VanDerWaalsContact CG-CG2 3.41Å; R981-V1269 PolarHBondContact NH1-O 3.41Å; V1265-V1269 HydrophobicContact CG1-CG2 4.25Å; V1265-V1269 VanDerWaalsContact O-CG2 3.25Å; V1265-V1269 WeakPolarHBondContact O-CG2 3.15Å; V1265-V1269 PolarHBondContact O-N 2.9Å; V1269-P1305 HydrophobicContact CB-CG 3.91Å; V1269-P1305 HydrophobicContact CG1-CB 4.29Å; V1269-P1305 HydrophobicContact CG1-CG 3.53Å; V1269-P1305 HydrophobicContact CG2-CB 4.47Å; V1269-P1305 HydrophobicContact CG2-CG 3.99Å |
| 1270 | N | 78 | Confident | 84.5 | Confident | 79 Ų | 79 | 32.6 Ų | 32.6 | 42% | 0.422 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -82.5 | -13.6 | 178.2 | -74.8 | -28.7 | 0 | 0 | 0 | 113.5 | G1266 E1267 Y1268 H1304 | G1266-N1270 PolarHBondContact O-N 2.94Å; G1266-N1270 PolarHBondContact O-ND2 2.79Å; E1267-N1270 PolarHBondContact O-N 2.87Å; Y1268-N1270 VanDerWaalsContact C-N 3.35Å; N1270-H1304 PolarHBondContact ND2-NE2 3.49Å; N1270-H1304 PolarHBondContact OD1-CD2 3.27Å; N1270-H1304 PolarHBondContact OD1-NE2 2.87Å |
| 1271 | R | 80.9 | Confident | 84.7 | Confident | 14 Ų | 14 | 34.7 Ų | 34.7 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -75.2 | 155.2 | 175.8 | -156.3 | 169.2 | -166.1 | 159.4 | 1.6 | 112.3 | R981 E1028 E1267 | R981-R1271 PolarHBondContact NH1-O 3.33Å; E1028-R1271 IonicContact OE2-NE 3.69Å; E1267-R1271 PolarHBondContact O-N 3.35Å; E1267-R1271 VanDerWaalsContact O-N 3.1Å |
| 1272 | S | 83.3 | Confident | 84.6 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | trans | -57.7 | 144.1 | 175.8 | 38.1 | 0 | 0 | 0 | 0 | 112.4 | E1028 I1274 N1279 Y1283 | E1028-S1272 PolarHBondContact OE2-OG 3.37Å; S1272-I1274 VanDerWaalsContact C-N 3.28Å; S1272-I1274 PolarHBondContact OG-O 3.28Å; S1272-N1279 WeakPolarHBondContact OG-CB 3.42Å; S1272-Y1283 PolarHBondContact OG-OH 3.36Å | ||
| 1273 | P | 81.6 | Confident | 84.3 | Confident | 18 Ų | 18 | 35.9 Ų | 35.9 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -69.9 | -26.4 | 174.6 | -18.7 | 32.4 | 0 | 0 | 0 | 113.6 | L976 W1282 | L976-P1273 HydrophobicContact CD1-CG 4.29Å; P1273-W1282 HydrophobicContact CG-CD2 4.3Å; P1273-W1282 HydrophobicContact CG-CE3 4.44Å; P1273-W1282 HydrophobicContact CG-CH2 4.02Å; P1273-W1282 HydrophobicContact CG-CZ2 3.86Å; P1273-W1282 HydrophobicContact CG-CZ3 4.31Å |
| 1274 | I | 85.4 | Confident | 84.2 | Confident | 57 Ų | 57 | 36.4 Ų | 36.4 | 29% | 0.292 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -94.1 | 125 | 180 | -54 | -178.2 | 0 | 0 | 0 | 107.6 | S1272 L1278 N1279 W1282 | S1272-I1274 VanDerWaalsContact C-N 3.28Å; S1272-I1274 PolarHBondContact OG-O 3.28Å; I1274-L1278 HydrophobicContact CG2-CB 3.4Å; I1274-N1279 WeakPolarHBondContact O-CB 3.48Å; I1274-W1282 HydrophobicContact CD1-CB 4.22Å |
| 1275 | P | 86.1 | Confident | 84.2 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 21% | 0.208 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 160.4 | 179.5 | 32.9 | -38.8 | 0 | 0 | 0 | 112 | Y984 L1278 N1279 | Y984-P1275 WeakPolarHBondContact O-CB 3.47Å; P1275-L1278 PolarHBondContact O-N 3.18Å; P1275-N1279 PolarHBondContact O-N 2.92Å |
| 1276 | P | 84.7 | Confident | 83.8 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | 145.1 | 163.5 | -28.8 | 38.7 | 0 | 0 | 0 | 112.4 | S988 S1024 F1025 L1278 | S988-P1276 WeakPolarHBondContact CB-O 3.35Å; S988-P1276 PolarHBondContact OG-O 2.84Å; S1024-P1276 WeakPolarHBondContact OG-CA 3.23Å; S1024-P1276 VanDerWaalsContact OG-CB 3.29Å; S1024-P1276 WeakPolarHBondContact OG-CB 3.31Å; F1025-P1276 HydrophobicContact CD1-CB 4.46Å; F1025-P1276 HydrophobicContact CD1-CG 4.16Å; F1025-P1276 HydrophobicContact CE1-CB 3.97Å; F1025-P1276 HydrophobicContact CE1-CG 3.79Å; F1025-P1276 HydrophobicContact CZ-CB 4.39Å; P1276-L1278 VanDerWaalsContact C-N 3.34Å |
| 1277 | P | 85.4 | Confident | 83.7 | Confident | 26 Ų | 26 | 46.9 Ų | 46.9 | 17% | 0.169 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -79.3 | -9.8 | -0.8 | 33.6 | -36.2 | 0 | 0 | 0 | 113.9 | W1021 S1024 N1279 | W1021-P1277 HydrophobicContact CB-CB 4.31Å; W1021-P1277 HydrophobicContact CD2-CB 4.27Å; W1021-P1277 HydrophobicContact CD2-CG 4.3Å; W1021-P1277 HydrophobicContact CE3-CG 4.48Å; W1021-P1277 HydrophobicContact CG-CB 4.06Å; S1024-P1277 WeakPolarHBondContact OG-CA 3.43Å; S1024-P1277 PolarHBondContact OG-O 2.91Å; P1277-N1279 VanDerWaalsContact C-N 3.26Å; P1277-N1279 PolarHBondContact O-N 3.34Å |
| 1278 | L | 85.7 | Confident | 83.8 | Confident | 98 Ų | 98 | 49.1 Ų | 49.1 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -4.1 | -168.6 | -62.2 | 175.4 | 0 | 0 | 0 | 114.6 | I1274 P1275 P1276 I1280 I1281 | I1274-L1278 HydrophobicContact CG2-CB 3.4Å; P1275-L1278 PolarHBondContact O-N 3.18Å; P1276-L1278 VanDerWaalsContact C-N 3.34Å; L1278-I1280 PolarHBondContact O-N 3.32Å; L1278-I1280 VanDerWaalsContact O-N 3.12Å; L1278-I1281 HydrophobicContact CD2-CD1 4.21Å; L1278-I1281 PolarHBondContact O-N 2.59Å |
| 1279 | N | 87.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59 | -22.9 | 177.2 | 75.1 | -3.8 | 0 | 0 | 0 | 113.7 | S1024 E1028 S1272 I1274 P1275 P1277 I1281 W1282 Y1283 | S1024-N1279 WeakPolarHBondContact CB-OD1 3.27Å; S1024-N1279 PolarHBondContact O-ND2 3.28Å; S1024-N1279 PolarHBondContact OG-ND2 3.03Å; S1024-N1279 PolarHBondContact OG-OD1 3.41Å; E1028-N1279 PolarHBondContact OE2-ND2 3.45Å; S1272-N1279 WeakPolarHBondContact OG-CB 3.42Å; I1274-N1279 WeakPolarHBondContact O-CB 3.48Å; P1275-N1279 PolarHBondContact O-N 2.92Å; P1277-N1279 VanDerWaalsContact C-N 3.26Å; P1277-N1279 PolarHBondContact O-N 3.34Å; N1279-I1281 PolarHBondContact O-N 3.1Å; N1279-W1282 WeakPolarHBondContact O-CA 3.45Å; N1279-W1282 WeakPolarHBondContact O-CB 3.43Å; N1279-W1282 PolarHBondContact O-N 3.14Å; N1279-Y1283 HydrophobicContact CB-CE2 3.95Å; N1279-Y1283 VanDerWaalsContact CG-CE2 3.46Å; N1279-Y1283 WeakPolarHBondContact ND2-CE2 3.39Å; N1279-Y1283 WeakPolarHBondContact O-CD2 3.09Å; N1279-Y1283 PolarHBondContact O-N 3.13Å |
| 1280 | I | 83.5 | Confident | 83.1 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.6 | -38.3 | 178.5 | -59 | 173.4 | 0 | 0 | 0 | 110.3 | M1020 I1023 L1278 W1282 Y1283 I1284 | M1020-I1280 HydrophobicContact CE-CD1 3.95Å; I1023-I1280 HydrophobicContact CG2-CD1 4.03Å; L1278-I1280 PolarHBondContact O-N 3.32Å; L1278-I1280 VanDerWaalsContact O-N 3.12Å; I1280-W1282 VanDerWaalsContact C-N 3.3Å; I1280-W1282 PolarHBondContact O-N 3.49Å; I1280-Y1283 PolarHBondContact O-N 2.87Å; I1280-Y1283 VanDerWaalsContact O-N 3.11Å; I1280-I1284 HydrophobicContact CG2-CD1 4.04Å; I1280-I1284 HydrophobicContact CG2-CG1 4.5Å; I1280-I1284 WeakPolarHBondContact O-CG1 3.19Å; I1280-I1284 PolarHBondContact O-N 3.27Å |
| 1281 | I | 86.9 | Confident | 83.2 | Confident | 105 Ų | 105 | 58 Ų | 58 | 54% | 0.538 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 176.5 | -55.7 | 174 | 0 | 0 | 0 | 110.5 | L1278 N1279 Y1283 I1284 Y1285 | L1278-I1281 HydrophobicContact CD2-CD1 4.21Å; L1278-I1281 PolarHBondContact O-N 2.59Å; N1279-I1281 PolarHBondContact O-N 3.1Å; I1281-Y1283 VanDerWaalsContact C-N 3.35Å; I1281-I1284 PolarHBondContact O-N 2.89Å; I1281-Y1285 WeakPolarHBondContact O-CB 3.38Å; I1281-Y1285 PolarHBondContact O-N 2.91Å |
| 1282 | W | 85 | Confident | 83 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 25% | 0.254 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.3 | -35.1 | 174.7 | -177.5 | -100.8 | 0 | 0 | 0 | 112.3 | P1273 I1274 N1279 I1280 Y1285 L1286 | P1273-W1282 HydrophobicContact CG-CD2 4.3Å; P1273-W1282 HydrophobicContact CG-CE3 4.44Å; P1273-W1282 HydrophobicContact CG-CH2 4.02Å; P1273-W1282 HydrophobicContact CG-CZ2 3.86Å; P1273-W1282 HydrophobicContact CG-CZ3 4.31Å; I1274-W1282 HydrophobicContact CD1-CB 4.22Å; N1279-W1282 WeakPolarHBondContact O-CA 3.45Å; N1279-W1282 WeakPolarHBondContact O-CB 3.43Å; N1279-W1282 PolarHBondContact O-N 3.14Å; I1280-W1282 VanDerWaalsContact C-N 3.3Å; I1280-W1282 PolarHBondContact O-N 3.49Å; W1282-Y1285 HydrophobicContact CD2-CD1 4.18Å; W1282-Y1285 AromaticContact CE3-CD1 3.75Å; W1282-Y1285 HydrophobicContact CE3-CD1 3.75Å; W1282-Y1285 HydrophobicContact CE3-CE1 4.2Å; W1282-Y1285 HydrophobicContact CH2-CD1 4.12Å; W1282-Y1285 AromaticContact CH2-CE1 3.76Å; W1282-Y1285 HydrophobicContact CH2-CE1 3.76Å; W1282-Y1285 HydrophobicContact CZ2-CD1 4.49Å; W1282-Y1285 HydrophobicContact CZ2-CE1 4.33Å; W1282-Y1285 AromaticContact CZ3-CD1 3.72Å; W1282-Y1285 HydrophobicContact CZ3-CD1 3.72Å; W1282-Y1285 AromaticContact CZ3-CE1 3.68Å; W1282-Y1285 HydrophobicContact CZ3-CE1 3.68Å; W1282-Y1285 PolarHBondContact O-N 2.64Å; W1282-L1286 WeakPolarHBondContact O-CG 3.12Å; W1282-L1286 PolarHBondContact O-N 3.21Å |
| 1283 | Y | 82.9 | Confident | 82.2 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 9% | 0.09 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.1 | -39.7 | 175.4 | -60 | -34.8 | 0 | 0 | 0 | 112.8 | A1027 E1028 R1031 S1272 N1279 I1280 I1281 Y1285 L1286 I1287 | A1027-Y1283 HydrophobicContact CB-CD2 3.95Å; A1027-Y1283 HydrophobicContact CB-CE2 4.14Å; E1028-Y1283 PolarHBondContact OE1-OH 2.81Å; E1028-Y1283 PolarHBondContact OE2-OH 3.26Å; R1031-Y1283 VanDerWaalsContact CD-CE1 3.48Å; S1272-Y1283 PolarHBondContact OG-OH 3.36Å; N1279-Y1283 HydrophobicContact CB-CE2 3.95Å; N1279-Y1283 VanDerWaalsContact CG-CE2 3.46Å; N1279-Y1283 WeakPolarHBondContact ND2-CE2 3.39Å; N1279-Y1283 WeakPolarHBondContact O-CD2 3.09Å; N1279-Y1283 PolarHBondContact O-N 3.13Å; I1280-Y1283 PolarHBondContact O-N 2.87Å; I1280-Y1283 VanDerWaalsContact O-N 3.11Å; I1281-Y1283 VanDerWaalsContact C-N 3.35Å; Y1283-Y1285 VanDerWaalsContact C-N 3.35Å; Y1283-Y1285 PolarHBondContact O-N 3.26Å; Y1283-L1286 HydrophobicContact CD1-CD1 4.29Å; Y1283-L1286 PolarHBondContact O-N 3.01Å; Y1283-I1287 WeakPolarHBondContact O-CB 3.38Å; Y1283-I1287 WeakPolarHBondContact O-CD1 3.33Å; Y1283-I1287 VanDerWaalsContact O-CG1 3.23Å; Y1283-I1287 WeakPolarHBondContact O-CG1 3.28Å; Y1283-I1287 PolarHBondContact O-N 3.33Å |
| 1284 | I | 84.3 | Confident | 81.6 | Confident | 93 Ų | 93 | 66.5 Ų | 66.5 | 48% | 0.477 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.7 | -47.3 | 169.7 | -67.5 | 164.7 | 0 | 0 | 0 | 110.1 | I1280 I1281 L1286 I1287 I1288 | I1280-I1284 HydrophobicContact CG2-CD1 4.04Å; I1280-I1284 HydrophobicContact CG2-CG1 4.5Å; I1280-I1284 WeakPolarHBondContact O-CG1 3.19Å; I1280-I1284 PolarHBondContact O-N 3.27Å; I1281-I1284 PolarHBondContact O-N 2.89Å; I1284-L1286 PolarHBondContact O-N 2.66Å; I1284-I1287 PolarHBondContact O-N 2.75Å; I1284-I1288 HydrophobicContact CG2-CD1 3.66Å; I1284-I1288 HydrophobicContact CG2-CG1 4.38Å; I1284-I1288 WeakPolarHBondContact O-CB 3.34Å; I1284-I1288 VanDerWaalsContact O-CG1 3.27Å; I1284-I1288 WeakPolarHBondContact O-CG1 3.49Å; I1284-I1288 PolarHBondContact O-N 2.82Å |
| 1285 | Y | 84.3 | Confident | 81 | Confident | 107 Ų | 107 | 69 Ų | 69 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59 | -44.1 | 174.7 | 164.9 | -109.2 | 0 | 0 | 0 | 112.9 | I1281 W1282 Y1283 R1289 | I1281-Y1285 WeakPolarHBondContact O-CB 3.38Å; I1281-Y1285 PolarHBondContact O-N 2.91Å; W1282-Y1285 HydrophobicContact CD2-CD1 4.18Å; W1282-Y1285 AromaticContact CE3-CD1 3.75Å; W1282-Y1285 HydrophobicContact CE3-CD1 3.75Å; W1282-Y1285 HydrophobicContact CE3-CE1 4.2Å; W1282-Y1285 HydrophobicContact CH2-CD1 4.12Å; W1282-Y1285 AromaticContact CH2-CE1 3.76Å; W1282-Y1285 HydrophobicContact CH2-CE1 3.76Å; W1282-Y1285 HydrophobicContact CZ2-CD1 4.49Å; W1282-Y1285 HydrophobicContact CZ2-CE1 4.33Å; W1282-Y1285 AromaticContact CZ3-CD1 3.72Å; W1282-Y1285 HydrophobicContact CZ3-CD1 3.72Å; W1282-Y1285 AromaticContact CZ3-CE1 3.68Å; W1282-Y1285 HydrophobicContact CZ3-CE1 3.68Å; W1282-Y1285 PolarHBondContact O-N 2.64Å; Y1283-Y1285 VanDerWaalsContact C-N 3.35Å; Y1283-Y1285 PolarHBondContact O-N 3.26Å; Y1285-R1289 WeakPolarHBondContact O-CB 3.32Å; Y1285-R1289 PolarHBondContact O-N 3.32Å |
| 1286 | L | 79.7 | Confident | 79.9 | Confident | 39 Ų | 39 | 76.8 Ų | 76.8 | 20% | 0.204 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 176.1 | -78.4 | 179.2 | 0 | 0 | 0 | 111.7 | W1282 Y1283 I1284 R1289 Y1290 | W1282-L1286 WeakPolarHBondContact O-CG 3.12Å; W1282-L1286 PolarHBondContact O-N 3.21Å; Y1283-L1286 HydrophobicContact CD1-CD1 4.29Å; Y1283-L1286 PolarHBondContact O-N 3.01Å; I1284-L1286 PolarHBondContact O-N 2.66Å; L1286-R1289 CarbonylContact O-C 2.91Å; L1286-R1289 WeakPolarHBondContact O-CB 3.26Å; L1286-R1289 PolarHBondContact O-N 3.14Å; L1286-Y1290 WeakPolarHBondContact O-CD2 3.45Å; L1286-Y1290 PolarHBondContact O-N 3.08Å |
| 1287 | I | 81.2 | Confident | 78.3 | Confident | 100 Ų | 100 | 85.9 Ų | 85.9 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 178.1 | -70.2 | 163.6 | 0 | 0 | 0 | 110.3 | Y1283 I1284 R1289 Y1290 I1291 | Y1283-I1287 WeakPolarHBondContact O-CB 3.38Å; Y1283-I1287 WeakPolarHBondContact O-CD1 3.33Å; Y1283-I1287 VanDerWaalsContact O-CG1 3.23Å; Y1283-I1287 WeakPolarHBondContact O-CG1 3.28Å; Y1283-I1287 PolarHBondContact O-N 3.33Å; I1284-I1287 PolarHBondContact O-N 2.75Å; I1287-R1289 VanDerWaalsContact C-N 3.27Å; I1287-R1289 PolarHBondContact O-N 3.45Å; I1287-Y1290 PolarHBondContact O-N 2.78Å; I1287-Y1290 VanDerWaalsContact O-N 3.08Å; I1287-I1291 HydrophobicContact CG2-CD1 3.74Å; I1287-I1291 HydrophobicContact CG2-CG1 4.42Å; I1287-I1291 WeakPolarHBondContact O-CG1 3.3Å; I1287-I1291 PolarHBondContact O-N 2.87Å |
| 1288 | I | 83.7 | Confident | 76.3 | Confident | 87 Ų | 87 | 87 Ų | 87 | 45% | 0.446 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.2 | -43.7 | 174.4 | -69.1 | 168.5 | 0 | 0 | 0 | 110.5 | I1284 Y1290 I1291 I1292 | I1284-I1288 HydrophobicContact CG2-CD1 3.66Å; I1284-I1288 HydrophobicContact CG2-CG1 4.38Å; I1284-I1288 WeakPolarHBondContact O-CB 3.34Å; I1284-I1288 VanDerWaalsContact O-CG1 3.27Å; I1284-I1288 WeakPolarHBondContact O-CG1 3.49Å; I1284-I1288 PolarHBondContact O-N 2.82Å; I1288-Y1290 PolarHBondContact O-N 3.18Å; I1288-I1291 PolarHBondContact O-N 3.38Å; I1288-I1292 HydrophobicContact CG2-CD1 3.64Å; I1288-I1292 HydrophobicContact CG2-CG1 4.39Å; I1288-I1292 WeakPolarHBondContact O-CB 3.42Å; I1288-I1292 VanDerWaalsContact O-CG1 3.28Å; I1288-I1292 WeakPolarHBondContact O-CG1 3.29Å; I1288-I1292 PolarHBondContact O-N 2.89Å |
| 1289 | R | 80.4 | Confident | 74.6 | Confident | 97 Ų | 97 | 87.8 Ų | 87.8 | 37% | 0.366 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.9 | -34.8 | 177.5 | -170.4 | 179.8 | -172.1 | -159.8 | 3.9 | 112.8 | Y1285 L1286 I1287 R1293 | Y1285-R1289 WeakPolarHBondContact O-CB 3.32Å; Y1285-R1289 PolarHBondContact O-N 3.32Å; L1286-R1289 CarbonylContact O-C 2.91Å; L1286-R1289 WeakPolarHBondContact O-CB 3.26Å; L1286-R1289 PolarHBondContact O-N 3.14Å; I1287-R1289 VanDerWaalsContact C-N 3.27Å; I1287-R1289 PolarHBondContact O-N 3.45Å; R1289-R1293 VanDerWaalsContact O-CB 3.26Å; R1289-R1293 WeakPolarHBondContact O-CB 3.45Å; R1289-R1293 WeakPolarHBondContact O-CD 3.43Å; R1289-R1293 WeakPolarHBondContact O-CG 3.42Å; R1289-R1293 PolarHBondContact O-N 3.12Å; R1289-R1293 VanDerWaalsContact O-N 3.13Å |
| 1290 | Y | 74.6 | Confident | 72.7 | Confident | 105 Ų | 105 | 91.5 Ų | 91.5 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.2 | -42.3 | 173 | -84 | -69.6 | 0 | 0 | 0 | 111.5 | L1035 L1286 I1287 I1288 R1293 G1294 L1300 | L1035-Y1290 HydrophobicContact CD2-CE2 4.36Å; L1286-Y1290 WeakPolarHBondContact O-CD2 3.45Å; L1286-Y1290 PolarHBondContact O-N 3.08Å; I1287-Y1290 PolarHBondContact O-N 2.78Å; I1287-Y1290 VanDerWaalsContact O-N 3.08Å; I1288-Y1290 PolarHBondContact O-N 3.18Å; Y1290-R1293 PolarHBondContact O-N 3.13Å; Y1290-G1294 PolarHBondContact O-N 3.04Å; Y1290-L1300 HydrophobicContact CE1-CD2 4.3Å |
| 1291 | I | 79.6 | Confident | 71.1 | Confident | 105 Ų | 105 | 95.6 Ų | 95.6 | 54% | 0.538 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.2 | -51.4 | 176.3 | -67.6 | 165.5 | 0 | 0 | 0 | 110.7 | I1287 I1288 R1293 G1294 C1295 | I1287-I1291 HydrophobicContact CG2-CD1 3.74Å; I1287-I1291 HydrophobicContact CG2-CG1 4.42Å; I1287-I1291 WeakPolarHBondContact O-CG1 3.3Å; I1287-I1291 PolarHBondContact O-N 2.87Å; I1288-I1291 PolarHBondContact O-N 3.38Å; I1291-R1293 PolarHBondContact O-N 3.35Å; I1291-G1294 PolarHBondContact O-N 2.95Å; I1291-C1295 PolarHBondContact O-N 3.05Å; I1291-C1295 PolarHBondContact O-SG 3.3Å |
| 1292 | I | 78.6 | Confident | 69.4 | Low | 84 Ų | 84 | 94.1 Ų | 94.1 | 43% | 0.431 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60 | -34.8 | 177.3 | -66.5 | 168 | 0 | 0 | 0 | 111.3 | I1288 R1296 | I1288-I1292 HydrophobicContact CG2-CD1 3.64Å; I1288-I1292 HydrophobicContact CG2-CG1 4.39Å; I1288-I1292 WeakPolarHBondContact O-CB 3.42Å; I1288-I1292 VanDerWaalsContact O-CG1 3.28Å; I1288-I1292 WeakPolarHBondContact O-CG1 3.29Å; I1288-I1292 PolarHBondContact O-N 2.89Å; I1292-R1296 WeakPolarHBondContact O-CB 3.43Å; I1292-R1296 WeakPolarHBondContact O-CG 3.36Å; I1292-R1296 PolarHBondContact O-N 3.26Å; I1292-R1296 VanDerWaalsContact O-N 3.11Å |
| 1293 | R | 66.2 | Low | 68.2 | Low | 74 Ų | 74 | 95.6 Ų | 95.6 | 28% | 0.279 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.5 | -34 | 176.9 | -78.9 | 177.2 | 156.9 | 167.4 | -11.4 | 113.8 | R1289 Y1290 I1291 C1295 R1296 K1297 | R1289-R1293 VanDerWaalsContact O-CB 3.26Å; R1289-R1293 WeakPolarHBondContact O-CB 3.45Å; R1289-R1293 WeakPolarHBondContact O-CD 3.43Å; R1289-R1293 WeakPolarHBondContact O-CG 3.42Å; R1289-R1293 PolarHBondContact O-N 3.12Å; R1289-R1293 VanDerWaalsContact O-N 3.13Å; Y1290-R1293 PolarHBondContact O-N 3.13Å; I1291-R1293 PolarHBondContact O-N 3.35Å; R1293-C1295 VanDerWaalsContact C-N 3.28Å; R1293-C1295 PolarHBondContact O-N 3.43Å; R1293-R1296 CarbonylContact O-C 3.27Å; R1293-R1296 PolarHBondContact O-N 2.85Å; R1293-R1296 VanDerWaalsContact O-N 3.14Å; R1293-K1297 PolarHBondContact O-N 3.43Å |
| 1294 | G | 67.4 | Low | 67.8 | Low | 57 Ų | 57 | 96.4 Ų | 96.4 | 59% | 0.588 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.5 | -44.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y1290 I1291 R1296 | Y1290-G1294 PolarHBondContact O-N 3.04Å; I1291-G1294 PolarHBondContact O-N 2.95Å; G1294-R1296 VanDerWaalsContact C-N 3.34Å; G1294-R1296 PolarHBondContact O-N 3.38Å |
| 1295 | C | 73.4 | Confident | 67.5 | Low | 108 Ų | 108 | 93.1 Ų | 93.1 | 73% | 0.73 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.1 | -34.5 | 174.1 | -58.8 | 0 | 0 | 0 | 0 | 113.2 | I1291 R1293 | I1291-C1295 PolarHBondContact O-N 3.05Å; I1291-C1295 PolarHBondContact O-SG 3.3Å; R1293-C1295 VanDerWaalsContact C-N 3.28Å; R1293-C1295 PolarHBondContact O-N 3.43Å |
| 1296 | R | 63.2 | Low | 67.6 | Low | 197 Ų | 197 | 88.1 Ų | 88.1 | 74% | 0.743 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -93.4 | 1.1 | -177 | -70.9 | -176.3 | 177.3 | -172.4 | -0.3 | 115.4 | I1292 R1293 G1294 S1298 | I1292-R1296 WeakPolarHBondContact O-CB 3.43Å; I1292-R1296 WeakPolarHBondContact O-CG 3.36Å; I1292-R1296 PolarHBondContact O-N 3.26Å; I1292-R1296 VanDerWaalsContact O-N 3.11Å; R1293-R1296 CarbonylContact O-C 3.27Å; R1293-R1296 PolarHBondContact O-N 2.85Å; R1293-R1296 VanDerWaalsContact O-N 3.14Å; G1294-R1296 VanDerWaalsContact C-N 3.34Å; G1294-R1296 PolarHBondContact O-N 3.38Å; R1296-S1298 PolarHBondContact O-N 3.32Å |
| 1297 | K | 51.1 | Low | 67.8 | Low | 194 Ų | 194 | 88.7 Ų | 88.7 | 84% | 0.843 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 22.5 | -177.3 | -69.3 | -173.9 | 176.5 | 178.6 | 0 | 115.5 | R1293 P1299 | R1293-K1297 PolarHBondContact O-N 3.43Å; K1297-P1299 WeakPolarHBondContact O-CD 3.16Å |
| 1298 | S | 44.4 | Very low | 67.9 | Low | 51 Ų | 51 | 86.4 Ų | 86.4 | 36% | 0.357 | 44% | 0.441 | S | S | . | . | trans | -80.9 | 118.9 | -175.9 | 64.5 | 0 | 0 | 0 | 0 | 110.3 | R1296 L1300 | R1296-S1298 PolarHBondContact O-N 3.32Å; S1298-L1300 PolarHBondContact O-N 2.77Å | ||
| 1299 | P | 48.8 | Very low | 67.7 | Low | 114 Ų | 114 | 84 Ų | 84 | 74% | 0.74 | 43% | 0.432 | S | S | * | . | trans | -62 | 138.3 | -179 | 24.5 | -33.5 | 0 | 0 | 0 | 111.3 | K1297 K1301 | K1297-P1299 WeakPolarHBondContact O-CD 3.16Å; P1299-K1301 PolarHBondContact O-N 2.72Å | ||
| 1300 | L | 47.2 | Very low | 67.6 | Low | 78 Ų | 78 | 81 Ų | 81 | 41% | 0.408 | 42% | 0.42 | S | S | . | . | trans | -75.3 | 86.4 | 178.3 | -163.7 | 82.9 | 0 | 0 | 0 | 109.8 | Y1290 S1298 S1302 | Y1290-L1300 HydrophobicContact CE1-CD2 4.3Å; S1298-L1300 PolarHBondContact O-N 2.77Å; L1300-S1302 PolarHBondContact O-N 3.43Å | ||
| 1301 | K | 49.6 | Very low | 67.5 | Low | 122 Ų | 122 | 81.6 Ų | 81.6 | 53% | 0.53 | 43% | 0.427 | S | S | . | . | trans | -67.2 | 80.2 | 157.2 | -74.3 | -172.5 | -178.2 | 176.4 | 0 | 108.6 | P1299 D1303 E1311 | P1299-K1301 PolarHBondContact O-N 2.72Å; K1301-D1303 PolarHBondContact O-N 2.39Å; K1301-E1311 IonicContact NZ-OE1 2.75Å; K1301-E1311 PolarHBondContact NZ-OE1 3.49Å | ||
| 1302 | S | 52.7 | Low | 66.8 | Low | 74 Ų | 74 | 80.8 Ų | 80.8 | 52% | 0.517 | 43% | 0.429 | S | S | . | . | trans | -81.6 | 96.1 | 164.6 | 50.8 | 0 | 0 | 0 | 0 | 108 | L1300 H1304 | L1300-S1302 PolarHBondContact O-N 3.43Å; S1302-H1304 VanDerWaalsContact C-N 3.26Å; S1302-H1304 PolarHBondContact O-N 2.58Å | ||
| 1303 | D | 58.6 | Low | 66.3 | Low | 99 Ų | 99 | 79 Ų | 79 | 53% | 0.529 | 43% | 0.43 | S | S | . | . | trans | -62 | 93.4 | 162.7 | -83.6 | 2.9 | 0 | 0 | 0 | 107.5 | K1301 | K1301-D1303 PolarHBondContact O-N 2.39Š| ||
| 1304 | H | 74.1 | Confident | 67 | Low | 40 Ų | 40 | 76.3 Ų | 76.3 | 19% | 0.185 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -75.2 | 140.1 | 172 | -174.6 | -83.6 | 0 | 0 | 0 | 107.8 | N1270 S1302 F1306 K1307 | N1270-H1304 PolarHBondContact ND2-NE2 3.49Å; N1270-H1304 PolarHBondContact OD1-CD2 3.27Å; N1270-H1304 PolarHBondContact OD1-NE2 2.87Å; S1302-H1304 VanDerWaalsContact C-N 3.26Å; S1302-H1304 PolarHBondContact O-N 2.58Å; H1304-F1306 VanDerWaalsContact CE1-CB 3.42Å; H1304-F1306 WeakPolarHBondContact CE1-CB 3.46Å; H1304-F1306 AromaticContact CE1-CD2 2.7Å; H1304-F1306 WeakPolarHBondContact CE1-CD2 3.37Å; H1304-F1306 AromaticContact CE1-CE2 3.51Å; H1304-F1306 AromaticContact CE1-CG 3.19Å; H1304-F1306 WeakPolarHBondContact CE1-CG 3.26Å; H1304-F1306 PolarHBondContact ND1-N 3.44Å; H1304-F1306 VanDerWaalsContact ND1-N 3.1Å; H1304-F1306 PolarHBondContact O-N 3.44Å; H1304-K1307 HydrophobicContact CB-CB 4.23Å; H1304-K1307 PolarHBondContact N-O 2.96Å; H1304-K1307 CarbonylContact O-C 3.59Å; H1304-K1307 VanDerWaalsContact O-C 3.27Å; H1304-K1307 PolarHBondContact O-N 3.49Å |
| 1305 | P | 79.7 | Confident | 67.7 | Low | 24 Ų | 24 | 77.7 Ų | 77.7 | 16% | 0.156 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26 | -178.1 | 28.9 | -43.9 | 0 | 0 | 0 | 113.8 | I851 Y883 V887 V1269 | I851-P1305 WeakPolarHBondContact CG2-O 3.25Å; Y883-P1305 WeakPolarHBondContact CE1-O 3.31Å; Y883-P1305 PolarHBondContact OH-O 3.23Å; V887-P1305 HydrophobicContact CG1-CB 3.8Å; V887-P1305 HydrophobicContact CG1-CG 4.49Å; V887-P1305 HydrophobicContact CG2-CB 4.2Å; V1269-P1305 HydrophobicContact CB-CG 3.91Å; V1269-P1305 HydrophobicContact CG1-CB 4.29Å; V1269-P1305 HydrophobicContact CG1-CG 3.53Å; V1269-P1305 HydrophobicContact CG2-CB 4.47Å; V1269-P1305 HydrophobicContact CG2-CG 3.99Å |
| 1306 | F | 84.7 | Confident | 68.1 | Low | 1 Ų | 1 | 78.2 Ų | 78.2 | 0% | 0.004 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -5.6 | -178.8 | -53.2 | -28.8 | 0 | 0 | 0 | 113.3 | S861 L863 M864 Y883 L884 V887 Y1262 V1265 G1266 H1304 | S861-F1306 VanDerWaalsContact CB-O 3.25Å; S861-F1306 WeakPolarHBondContact CB-O 3.49Å; S861-F1306 PolarHBondContact OG-O 3.25Å; L863-F1306 HydrophobicContact CD2-CB 4.4Å; L863-F1306 HydrophobicContact CD2-CD1 3.77Å; L863-F1306 HydrophobicContact CD2-CE1 4.24Å; L863-F1306 HydrophobicContact CD2-CG 4.15Å; M864-F1306 HydrophobicContact CE-CB 4.41Å; Y883-F1306 HydrophobicContact CE1-CD1 4.35Å; L884-F1306 HydrophobicContact CD2-CE1 3.83Å; L884-F1306 HydrophobicContact CD2-CZ 3.87Å; V887-F1306 HydrophobicContact CG1-CE1 4.26Å; Y1262-F1306 HydrophobicContact CD2-CD2 4.13Å; Y1262-F1306 HydrophobicContact CD2-CE1 4.44Å; Y1262-F1306 AromaticContact CD2-CE2 3.77Å; Y1262-F1306 HydrophobicContact CD2-CE2 3.77Å; Y1262-F1306 AromaticContact CD2-CZ 3.95Å; Y1262-F1306 HydrophobicContact CD2-CZ 3.95Å; Y1262-F1306 HydrophobicContact CE2-CB 4.37Å; Y1262-F1306 HydrophobicContact CE2-CD1 4.25Å; Y1262-F1306 AromaticContact CE2-CD2 3.3Å; Y1262-F1306 HydrophobicContact CE2-CD2 3.3Å; Y1262-F1306 HydrophobicContact CE2-CE1 4.36Å; Y1262-F1306 AromaticContact CE2-CE2 3.4Å; Y1262-F1306 HydrophobicContact CE2-CE2 3.4Å; Y1262-F1306 AromaticContact CE2-CG 3.76Å; Y1262-F1306 HydrophobicContact CE2-CG 3.76Å; Y1262-F1306 AromaticContact CE2-CZ 3.96Å; Y1262-F1306 HydrophobicContact CE2-CZ 3.96Å; Y1262-F1306 AromaticContact CZ-CD2 3.75Å; Y1262-F1306 AromaticContact CZ-CE2 3.99Å; V1265-F1306 HydrophobicContact CB-CZ 4.08Å; V1265-F1306 HydrophobicContact CG1-CE1 4.21Å; V1265-F1306 HydrophobicContact CG1-CZ 3.79Å; G1266-F1306 VanDerWaalsContact CA-CE2 3.42Å; H1304-F1306 VanDerWaalsContact CE1-CB 3.42Å; H1304-F1306 WeakPolarHBondContact CE1-CB 3.46Å; H1304-F1306 AromaticContact CE1-CD2 2.7Å; H1304-F1306 WeakPolarHBondContact CE1-CD2 3.37Å; H1304-F1306 AromaticContact CE1-CE2 3.51Å; H1304-F1306 AromaticContact CE1-CG 3.19Å; H1304-F1306 WeakPolarHBondContact CE1-CG 3.26Å; H1304-F1306 PolarHBondContact ND1-N 3.44Å; H1304-F1306 VanDerWaalsContact ND1-N 3.1Å; H1304-F1306 PolarHBondContact O-N 3.44Å |
| 1307 | K | 85.5 | Confident | 69.1 | Low | 52 Ų | 52 | 69.8 Ų | 69.8 | 23% | 0.226 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -143.4 | 102.6 | 179.3 | 176.9 | 171.9 | 172.9 | 158.8 | 0 | 109.9 | I851 E853 R859 M864 H1304 | I851-K1307 WeakPolarHBondContact O-CA 3.39Å; E853-K1307 HydrophobicContact CB-CG 4.29Å; E853-K1307 VanDerWaalsContact OE1-CE 3.25Å; E853-K1307 WeakPolarHBondContact OE1-CE 3.49Å; E853-K1307 IonicContact OE1-NZ 3.91Å; E853-K1307 PolarHBondContact OE1-NZ 3.06Å; E853-K1307 WeakPolarHBondContact OE2-CE 3.47Å; E853-K1307 IonicContact OE2-NZ 3.14Å; R859-K1307 PolarHBondContact O-NZ 3.49Å; M864-K1307 HydrophobicContact CE-CB 3.66Å; M864-K1307 HydrophobicContact CE-CD 4.29Å; M864-K1307 HydrophobicContact SD-CB 4.14Å; M864-K1307 HydrophobicContact SD-CD 4.33Å; H1304-K1307 HydrophobicContact CB-CB 4.23Å; H1304-K1307 PolarHBondContact N-O 2.96Å; H1304-K1307 CarbonylContact O-C 3.59Å; H1304-K1307 VanDerWaalsContact O-C 3.27Å; H1304-K1307 PolarHBondContact O-N 3.49Å |
| 1308 | K | 83.2 | Confident | 70.7 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 23% | 0.226 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -102 | 115.4 | 172.2 | -168.1 | 173 | -178 | -162.5 | 0 | 109.7 | I851 E853 Y1310 | I851-K1308 HydrophobicContact CD1-CB 4.15Å; I851-K1308 HydrophobicContact CG1-CB 4.12Å; I851-K1308 PolarHBondContact O-N 2.86Å; E853-K1308 PolarHBondContact N-O 3.12Å; K1308-Y1310 HydrophobicContact CD-CE2 3.98Å; K1308-Y1310 HydrophobicContact CG-CE2 4.04Å; K1308-Y1310 PolarHBondContact NZ-OH 2.89Å |
| 1309 | S | 79.5 | Confident | 72.7 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | trans | -87.9 | 140.4 | 171.7 | 62.6 | 0 | 0 | 0 | 0 | 109.9 | E853 | E853-S1309 WeakPolarHBondContact OE2-CB 3.38Š| ||
| 1310 | Y | 77.5 | Confident | 74.5 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 13% | 0.129 | 35% | 0.347 | C | S | . | . | trans | -112.5 | 165.7 | 166.7 | -70.2 | -90.1 | 0 | 0 | 0 | 108.3 | L852 K1308 S1314 Q1316 E1317 L1320 | L852-Y1310 HydrophobicContact CD1-CD2 3.44Å; L852-Y1310 VanDerWaalsContact CD1-CD2 3.44Å; L852-Y1310 HydrophobicContact CD1-CE2 3.72Å; K1308-Y1310 HydrophobicContact CD-CE2 3.98Å; K1308-Y1310 HydrophobicContact CG-CE2 4.04Å; K1308-Y1310 PolarHBondContact NZ-OH 2.89Å; Y1310-S1314 WeakPolarHBondContact CB-OG 3.48Å; Y1310-Q1316 HydrophobicContact CD1-CB 3.87Å; Y1310-Q1316 HydrophobicContact CE1-CB 3.75Å; Y1310-E1317 HydrophobicContact CD2-CB 4.45Å; Y1310-E1317 HydrophobicContact CG-CB 4.17Å; Y1310-L1320 HydrophobicContact CE2-CD1 3.85Å | ||
| 1311 | E | 72.1 | Confident | 76.3 | Confident | 118 Ų | 118 | 62.9 Ų | 62.9 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | trans | -64.3 | 133.5 | 165.9 | -85.4 | 158.1 | -154.1 | 0 | 0 | 108.6 | K1301 G1313 S1314 | K1301-E1311 IonicContact NZ-OE1 2.75Å; K1301-E1311 PolarHBondContact NZ-OE1 3.49Å; E1311-G1313 PolarHBondContact O-N 3.26Å; E1311-S1314 WeakPolarHBondContact O-CA 3.46Å; E1311-S1314 WeakPolarHBondContact O-CB 3.5Å; E1311-S1314 PolarHBondContact O-N 3.33Å; E1311-S1314 PolarHBondContact O-OG 3.05Å | ||
| 1312 | P | 65.6 | Low | 78.1 | Confident | 89 Ų | 89 | 63.3 Ų | 63.3 | 58% | 0.578 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 121.3 | -171.9 | 24.9 | -34.3 | 0 | 0 | 0 | 110.9 | K855 S1314 E1317 | K855-P1312 VanDerWaalsContact NZ-CB 3.27Å; P1312-S1314 VanDerWaalsContact C-N 3.33Å; P1312-E1317 WeakPolarHBondContact CA-OE2 3.23Å |
| 1313 | G | 68.8 | Low | 79.9 | Confident | 45 Ų | 45 | 61 Ų | 61 | 46% | 0.464 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 12 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1311 E1317 L1318 | E1311-G1313 PolarHBondContact O-N 3.26Å; G1313-E1317 PolarHBondContact N-OE2 2.86Å; G1313-L1318 VanDerWaalsContact O-CD1 3.25Å; G1313-L1318 WeakPolarHBondContact O-CD1 3.33Å |
| 1314 | S | 80.6 | Confident | 81.4 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | trans | -60.9 | 149.2 | 173.4 | 67.4 | 0 | 0 | 0 | 0 | 111 | Y1310 E1311 P1312 Q1316 E1317 L1318 | Y1310-S1314 WeakPolarHBondContact CB-OG 3.48Å; E1311-S1314 WeakPolarHBondContact O-CA 3.46Å; E1311-S1314 WeakPolarHBondContact O-CB 3.5Å; E1311-S1314 PolarHBondContact O-N 3.33Å; E1311-S1314 PolarHBondContact O-OG 3.05Å; P1312-S1314 VanDerWaalsContact C-N 3.33Å; S1314-Q1316 PolarHBondContact O-N 3.36Å; S1314-E1317 PolarHBondContact O-N 3.28Å; S1314-E1317 WeakPolarHBondContact OG-CB 3.4Å; S1314-E1317 PolarHBondContact OG-N 3.07Å; S1314-L1318 PolarHBondContact O-N 3.12Å | ||
| 1315 | P | 82.2 | Confident | 82.1 | Confident | 86 Ų | 86 | 58 Ų | 58 | 56% | 0.558 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.3 | -14.2 | 179.5 | 26.3 | -35.7 | 0 | 0 | 0 | 113.1 | R1319 | P1315-R1319 VanDerWaalsContact O-CB 3.23Å; P1315-R1319 WeakPolarHBondContact O-CB 3.45Å; P1315-R1319 WeakPolarHBondContact O-CD 3.38Å; P1315-R1319 WeakPolarHBondContact O-CG 3.22Å; P1315-R1319 PolarHBondContact O-N 2.98Å; P1315-R1319 PolarHBondContact O-NE 3.31Å |
| 1316 | Q | 81.2 | Confident | 82.6 | Confident | 118 Ų | 118 | 60.5 Ų | 60.5 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -85.1 | -42.6 | 175.8 | -63.8 | -175.2 | 9.8 | 0 | 0 | 111.9 | Y1310 S1314 R1319 L1320 | Y1310-Q1316 HydrophobicContact CD1-CB 3.87Å; Y1310-Q1316 HydrophobicContact CE1-CB 3.75Å; S1314-Q1316 PolarHBondContact O-N 3.36Å; Q1316-R1319 PolarHBondContact O-N 3.47Å; Q1316-L1320 WeakPolarHBondContact O-CG 3.43Å; Q1316-L1320 PolarHBondContact O-N 2.95Å |
| 1317 | E | 83.8 | Confident | 82.8 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 9% | 0.093 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -52.6 | 172.5 | -177.5 | -178.9 | -147.3 | 0 | 0 | 110.6 | L852 Y1310 P1312 G1313 S1314 R1319 L1320 I1321 | L852-E1317 HydrophobicContact CD1-CG 4.38Å; Y1310-E1317 HydrophobicContact CD2-CB 4.45Å; Y1310-E1317 HydrophobicContact CG-CB 4.17Å; P1312-E1317 WeakPolarHBondContact CA-OE2 3.23Å; G1313-E1317 PolarHBondContact N-OE2 2.86Å; S1314-E1317 PolarHBondContact O-N 3.28Å; S1314-E1317 WeakPolarHBondContact OG-CB 3.4Å; S1314-E1317 PolarHBondContact OG-N 3.07Å; E1317-R1319 VanDerWaalsContact C-N 3.28Å; E1317-R1319 PolarHBondContact O-N 2.96Å; E1317-L1320 PolarHBondContact O-N 2.88Å; E1317-I1321 HydrophobicContact CG-CD1 3.83Å; E1317-I1321 HydrophobicContact CG-CG1 4.5Å; E1317-I1321 WeakPolarHBondContact O-CG1 3.09Å; E1317-I1321 PolarHBondContact O-N 3.18Å |
| 1318 | L | 84.1 | Confident | 83 | Confident | 84 Ų | 84 | 60.5 Ų | 60.5 | 44% | 0.44 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61 | -36.2 | 179.6 | -67.1 | 174.9 | 0 | 0 | 0 | 112.1 | G1313 S1314 H1322 | G1313-L1318 VanDerWaalsContact O-CD1 3.25Å; G1313-L1318 WeakPolarHBondContact O-CD1 3.33Å; S1314-L1318 PolarHBondContact O-N 3.12Å; L1318-H1322 WeakPolarHBondContact O-CB 3.24Å; L1318-H1322 PolarHBondContact O-N 3.28Å |
| 1319 | R | 87.1 | Confident | 83.1 | Confident | 182 Ų | 182 | 63.9 Ų | 63.9 | 69% | 0.687 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66.6 | -36 | 172.5 | -79.9 | 171.3 | -164.2 | -172.8 | 3.1 | 113.1 | P1315 Q1316 E1317 W1323 | P1315-R1319 VanDerWaalsContact O-CB 3.23Å; P1315-R1319 WeakPolarHBondContact O-CB 3.45Å; P1315-R1319 WeakPolarHBondContact O-CD 3.38Å; P1315-R1319 WeakPolarHBondContact O-CG 3.22Å; P1315-R1319 PolarHBondContact O-N 2.98Å; P1315-R1319 PolarHBondContact O-NE 3.31Å; Q1316-R1319 PolarHBondContact O-N 3.47Å; E1317-R1319 VanDerWaalsContact C-N 3.28Å; E1317-R1319 PolarHBondContact O-N 2.96Å; R1319-W1323 WeakPolarHBondContact O-CB 3.25Å; R1319-W1323 PolarHBondContact O-N 3.28Å |
| 1320 | L | 86.9 | Confident | 83.4 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.8 | -45.2 | 177.3 | -75.8 | 168.2 | 0 | 0 | 0 | 111.5 | L845 K848 L852 Y1310 Q1316 E1317 W1323 E1324 | L845-L1320 HydrophobicContact CD2-CD2 4.18Å; K848-L1320 HydrophobicContact CB-CD1 4.14Å; K848-L1320 HydrophobicContact CB-CD2 3.93Å; K848-L1320 HydrophobicContact CD-CD2 4.43Å; L852-L1320 HydrophobicContact CD2-CB 4.05Å; Y1310-L1320 HydrophobicContact CE2-CD1 3.85Å; Q1316-L1320 WeakPolarHBondContact O-CG 3.43Å; Q1316-L1320 PolarHBondContact O-N 2.95Å; E1317-L1320 PolarHBondContact O-N 2.88Å; L1320-W1323 PolarHBondContact O-N 3.05Å; L1320-E1324 WeakPolarHBondContact O-CB 3.33Å; L1320-E1324 PolarHBondContact O-N 2.96Å |
| 1321 | I | 85.6 | Confident | 83.7 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 174.7 | -63.5 | 172.7 | 0 | 0 | 0 | 110 | Q791 D792 L852 E1317 E1324 R1325 | Q791-I1321 HydrophobicContact CG-CG2 4.01Å; D792-I1321 WeakPolarHBondContact OD1-CG2 3.49Å; L852-I1321 HydrophobicContact CD2-CG1 4.02Å; E1317-I1321 HydrophobicContact CG-CD1 3.83Å; E1317-I1321 HydrophobicContact CG-CG1 4.5Å; E1317-I1321 WeakPolarHBondContact O-CG1 3.09Å; E1317-I1321 PolarHBondContact O-N 3.18Å; I1321-E1324 PolarHBondContact O-N 2.84Å; I1321-R1325 VanDerWaalsContact O-CB 3.23Å; I1321-R1325 WeakPolarHBondContact O-CB 3.34Å; I1321-R1325 PolarHBondContact O-N 3.24Å |
| 1322 | H | 87.4 | Confident | 84.1 | Confident | 131 Ų | 131 | 58 Ų | 58 | 61% | 0.606 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.5 | -38.1 | 177 | -176.7 | 76.7 | 0 | 0 | 0 | 112.6 | L1318 R1325 L1326 | L1318-H1322 WeakPolarHBondContact O-CB 3.24Å; L1318-H1322 PolarHBondContact O-N 3.28Å; H1322-R1325 PolarHBondContact O-N 2.85Å; H1322-L1326 VanDerWaalsContact O-CB 3.31Å; H1322-L1326 WeakPolarHBondContact O-CB 3.44Å; H1322-L1326 PolarHBondContact O-N 2.76Å |
| 1323 | W | 90.4 | Very high | 84.7 | Confident | 26 Ų | 26 | 61 Ų | 61 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 174.3 | 172.1 | 79.3 | 0 | 0 | 0 | 112 | C838 D841 N842 L845 T849 R1319 L1320 R1325 L1326 R1327 | C838-W1323 HydrophobicContact CB-CH2 3.8Å; C838-W1323 HydrophobicContact CB-CZ3 4.36Å; D841-W1323 WeakPolarHBondContact OD2-CZ2 3.38Å; D841-W1323 PolarHBondContact OD2-NE1 3.39Å; N842-W1323 HydrophobicContact CB-CZ2 4.05Å; L845-W1323 HydrophobicContact CB-CD2 4.01Å; L845-W1323 HydrophobicContact CB-CE3 3.9Å; L845-W1323 HydrophobicContact CB-CH2 3.49Å; L845-W1323 VanDerWaalsContact CB-CH2 3.49Å; L845-W1323 HydrophobicContact CB-CZ2 3.6Å; L845-W1323 HydrophobicContact CB-CZ3 3.65Å; L845-W1323 HydrophobicContact CD1-CD2 3.86Å; L845-W1323 HydrophobicContact CD1-CG 4.07Å; L845-W1323 HydrophobicContact CD1-CZ2 4.04Å; L845-W1323 HydrophobicContact CG-CZ2 4.46Å; T849-W1323 WeakPolarHBondContact OG1-CZ3 3.22Å; R1319-W1323 WeakPolarHBondContact O-CB 3.25Å; R1319-W1323 PolarHBondContact O-N 3.28Å; L1320-W1323 PolarHBondContact O-N 3.05Å; W1323-R1325 VanDerWaalsContact C-N 3.3Å; W1323-R1325 PolarHBondContact O-N 3.24Å; W1323-L1326 WeakPolarHBondContact O-CB 3.41Å; W1323-L1326 PolarHBondContact O-N 3.48Å; W1323-R1327 HydrophobicContact CD2-CG 4.39Å; W1323-R1327 HydrophobicContact CZ2-CG 4.11Å; W1323-R1327 WeakPolarHBondContact O-CG 2.7Å; W1323-R1327 PolarHBondContact O-N 3.4Å |
| 1324 | E | 90.1 | Very high | 84.7 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 172.5 | 178.9 | -168.1 | 154.9 | 0 | 0 | 110.7 | P793 L794 T849 R854 L1320 I1321 L1326 R1327 F1328 | P793-E1324 WeakPolarHBondContact CD-OE1 3.29Å; L794-E1324 WeakPolarHBondContact CB-OE1 3.22Å; L794-E1324 PolarHBondContact N-OE1 3.22Å; T849-E1324 HydrophobicContact CG2-CB 4.08Å; T849-E1324 HydrophobicContact CG2-CG 4.05Å; T849-E1324 VanDerWaalsContact CG2-OE2 3.29Å; T849-E1324 WeakPolarHBondContact CG2-OE2 3.47Å; R854-E1324 IonicContact CZ-OE2 3.48Å; R854-E1324 IonicContact NH1-OE1 3.87Å; R854-E1324 IonicContact NH1-OE2 2.89Å; R854-E1324 PolarHBondContact NH1-OE2 3.22Å; R854-E1324 IonicContact NH2-OE2 3.83Å; R854-E1324 PolarHBondContact NH2-OE2 3.07Å; L1320-E1324 WeakPolarHBondContact O-CB 3.33Å; L1320-E1324 PolarHBondContact O-N 2.96Å; I1321-E1324 PolarHBondContact O-N 2.84Å; E1324-L1326 VanDerWaalsContact C-N 3.35Å; E1324-L1326 PolarHBondContact O-N 3.43Å; E1324-R1327 CarbonylContact O-C 3.54Å; E1324-R1327 PolarHBondContact O-N 3.27Å; E1324-F1328 WeakPolarHBondContact O-CB 3.3Å; E1324-F1328 PolarHBondContact O-N 3.02Å |
| 1325 | R | 89.1 | Confident | 84.1 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 178.3 | -167.5 | 171.5 | -175.8 | 179.2 | 4.2 | 111.9 | I1321 H1322 W1323 F1328 W1329 | I1321-R1325 VanDerWaalsContact O-CB 3.23Å; I1321-R1325 WeakPolarHBondContact O-CB 3.34Å; I1321-R1325 PolarHBondContact O-N 3.24Å; H1322-R1325 PolarHBondContact O-N 2.85Å; W1323-R1325 VanDerWaalsContact C-N 3.3Å; W1323-R1325 PolarHBondContact O-N 3.24Å; R1325-F1328 WeakPolarHBondContact O-CB 3.49Å; R1325-F1328 PolarHBondContact O-N 3.23Å; R1325-W1329 PolarHBondContact O-N 2.79Å |
| 1326 | L | 88.8 | Confident | 83.3 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 40% | 0.398 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 172 | -171.5 | 76.3 | 0 | 0 | 0 | 110.9 | H1322 W1323 E1324 F1328 W1329 D1330 | H1322-L1326 VanDerWaalsContact O-CB 3.31Å; H1322-L1326 WeakPolarHBondContact O-CB 3.44Å; H1322-L1326 PolarHBondContact O-N 2.76Å; W1323-L1326 WeakPolarHBondContact O-CB 3.41Å; W1323-L1326 PolarHBondContact O-N 3.48Å; E1324-L1326 VanDerWaalsContact C-N 3.35Å; E1324-L1326 PolarHBondContact O-N 3.43Å; L1326-F1328 VanDerWaalsContact C-N 3.28Å; L1326-F1328 PolarHBondContact O-N 3.46Å; L1326-W1329 WeakPolarHBondContact O-CB 3.48Å; L1326-W1329 PolarHBondContact O-N 3.3Å; L1326-W1329 VanDerWaalsContact O-N 3.12Å; L1326-D1330 PolarHBondContact O-N 3.39Å |
| 1327 | R | 89.2 | Confident | 82.4 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.7 | -24.8 | 175.8 | -63.6 | -60.7 | 170.2 | -125.3 | 7.7 | 113.3 | D841 W1323 E1324 D1330 Y1331 | D841-R1327 VanDerWaalsContact CG-CZ 3.47Å; D841-R1327 IonicContact OD1-CZ 3.82Å; D841-R1327 IonicContact OD1-NE 3.38Å; D841-R1327 PolarHBondContact OD1-NE 2.91Å; D841-R1327 IonicContact OD1-NH2 3.3Å; D841-R1327 PolarHBondContact OD1-NH2 3.16Å; D841-R1327 IonicContact OD2-CZ 3.62Å; D841-R1327 IonicContact OD2-NE 2.66Å; D841-R1327 PolarHBondContact OD2-NE 3.26Å; D841-R1327 IonicContact OD2-NH2 2.9Å; D841-R1327 PolarHBondContact OD2-NH2 2.68Å; D841-R1327 VanDerWaalsContact OD2-NH2 3.08Å; W1323-R1327 HydrophobicContact CD2-CG 4.39Å; W1323-R1327 HydrophobicContact CZ2-CG 4.11Å; W1323-R1327 WeakPolarHBondContact O-CG 2.7Å; W1323-R1327 PolarHBondContact O-N 3.4Å; E1324-R1327 CarbonylContact O-C 3.54Å; E1324-R1327 PolarHBondContact O-N 3.27Å; R1327-D1330 IonicContact CZ-OD2 3.55Å; R1327-D1330 IonicContact NH1-OD2 2.89Å; R1327-D1330 PolarHBondContact NH1-OD2 3.5Å; R1327-Y1331 WeakPolarHBondContact O-CB 3.25Å; R1327-Y1331 PolarHBondContact O-N 2.9Å |
| 1328 | F | 89.5 | Confident | 81.3 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.2 | -42.6 | 166.4 | 171.2 | -97 | 0 | 0 | 0 | 111.9 | W787 T788 P793 L834 E1324 R1325 L1326 D1330 Y1331 D1332 | W787-F1328 HydrophobicContact CE3-CE2 4.14Å; W787-F1328 HydrophobicContact CE3-CZ 4.49Å; W787-F1328 HydrophobicContact CH2-CD2 4.29Å; W787-F1328 AromaticContact CH2-CE2 3.65Å; W787-F1328 HydrophobicContact CH2-CE2 3.65Å; W787-F1328 HydrophobicContact CZ2-CD2 4.48Å; W787-F1328 HydrophobicContact CZ2-CE2 4.06Å; W787-F1328 AromaticContact CZ3-CE2 3.7Å; W787-F1328 HydrophobicContact CZ3-CE2 3.7Å; W787-F1328 HydrophobicContact CZ3-CZ 4.37Å; T788-F1328 HydrophobicContact CG2-CZ 4.2Å; P793-F1328 HydrophobicContact CB-CB 4.37Å; P793-F1328 HydrophobicContact CB-CD1 4.48Å; P793-F1328 HydrophobicContact CB-CD2 3.68Å; P793-F1328 HydrophobicContact CB-CE2 4.14Å; P793-F1328 HydrophobicContact CB-CG 3.88Å; P793-F1328 HydrophobicContact CG-CB 3.6Å; P793-F1328 HydrophobicContact CG-CD1 4.27Å; P793-F1328 HydrophobicContact CG-CD2 3.88Å; P793-F1328 HydrophobicContact CG-CG 3.62Å; L834-F1328 HydrophobicContact CD1-CB 3.99Å; L834-F1328 HydrophobicContact CD1-CD2 4.25Å; L834-F1328 HydrophobicContact CD2-CD2 4.11Å; E1324-F1328 WeakPolarHBondContact O-CB 3.3Å; E1324-F1328 PolarHBondContact O-N 3.02Å; R1325-F1328 WeakPolarHBondContact O-CB 3.49Å; R1325-F1328 PolarHBondContact O-N 3.23Å; L1326-F1328 VanDerWaalsContact C-N 3.28Å; L1326-F1328 PolarHBondContact O-N 3.46Å; F1328-D1330 VanDerWaalsContact C-N 3.33Å; F1328-D1330 PolarHBondContact O-N 3.01Å; F1328-Y1331 HydrophobicContact CD2-CD1 4.15Å; F1328-Y1331 HydrophobicContact CE2-CD1 4.25Å; F1328-Y1331 PolarHBondContact O-N 3.07Å; F1328-D1332 HydrophobicContact CZ-CB 4.48Å; F1328-D1332 WeakPolarHBondContact O-CB 3.5Å; F1328-D1332 PolarHBondContact O-N 3.01Å |
| 1329 | W | 86.1 | Confident | 80.1 | Confident | 124 Ų | 124 | 63 Ų | 63 | 47% | 0.47 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 172.8 | -70.1 | 117.1 | 0 | 0 | 0 | 112 | R1325 L1326 R1333 | R1325-W1329 PolarHBondContact O-N 2.79Å; L1326-W1329 WeakPolarHBondContact O-CB 3.48Å; L1326-W1329 PolarHBondContact O-N 3.3Å; L1326-W1329 VanDerWaalsContact O-N 3.12Å; W1329-R1333 WeakPolarHBondContact O-CB 3.23Å; W1329-R1333 PolarHBondContact O-N 3.37Å |
| 1330 | D | 84.6 | Confident | 78.6 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 19% | 0.193 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 171.2 | -68.4 | -44.2 | 0 | 0 | 0 | 111.4 | L1326 R1327 F1328 D1332 R1333 Y1334 | L1326-D1330 PolarHBondContact O-N 3.39Å; R1327-D1330 IonicContact CZ-OD2 3.55Å; R1327-D1330 IonicContact NH1-OD2 2.89Å; R1327-D1330 PolarHBondContact NH1-OD2 3.5Å; F1328-D1330 VanDerWaalsContact C-N 3.33Å; F1328-D1330 PolarHBondContact O-N 3.01Å; D1330-D1332 PolarHBondContact O-N 3.41Å; D1330-R1333 CarbonylContact O-C 3.59Å; D1330-R1333 PolarHBondContact O-N 3.35Å; D1330-Y1334 HydrophobicContact CB-CD2 4.06Å; D1330-Y1334 HydrophobicContact CB-CE2 4.21Å; D1330-Y1334 WeakPolarHBondContact O-CB 3.37Å; D1330-Y1334 WeakPolarHBondContact O-CD2 3.12Å; D1330-Y1334 PolarHBondContact O-N 3.48Å |
| 1331 | Y | 84 | Confident | 76.9 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 176 | 166.6 | -96.6 | 0 | 0 | 0 | 112.4 | W787 S833 L834 E837 R1327 F1328 I1335 I1336 | W787-Y1331 AromaticContact CH2-CE1 3.86Å; W787-Y1331 HydrophobicContact CH2-CE1 3.86Å; W787-Y1331 HydrophobicContact CZ3-CE1 4.26Å; S833-Y1331 VanDerWaalsContact CB-CE2 3.47Å; L834-Y1331 HydrophobicContact CB-CG 4.42Å; L834-Y1331 HydrophobicContact CD1-CD1 4.21Å; L834-Y1331 HydrophobicContact CD1-CG 3.96Å; E837-Y1331 HydrophobicContact CG-CD2 3.99Å; R1327-Y1331 WeakPolarHBondContact O-CB 3.25Å; R1327-Y1331 PolarHBondContact O-N 2.9Å; F1328-Y1331 HydrophobicContact CD2-CD1 4.15Å; F1328-Y1331 HydrophobicContact CE2-CD1 4.25Å; F1328-Y1331 PolarHBondContact O-N 3.07Å; Y1331-I1335 HydrophobicContact CD2-CB 3.84Å; Y1331-I1335 HydrophobicContact CD2-CD1 3.87Å; Y1331-I1335 HydrophobicContact CD2-CG1 4.27Å; Y1331-I1335 HydrophobicContact CD2-CG2 4.23Å; Y1331-I1335 HydrophobicContact CE2-CB 3.72Å; Y1331-I1335 HydrophobicContact CE2-CD1 4.01Å; Y1331-I1335 HydrophobicContact CE2-CG1 4.41Å; Y1331-I1335 HydrophobicContact CE2-CG2 3.58Å; Y1331-I1335 WeakPolarHBondContact O-CA 3.41Å; Y1331-I1335 WeakPolarHBondContact O-CB 3.46Å; Y1331-I1335 PolarHBondContact O-N 3.14Å; Y1331-I1336 HydrophobicContact CD1-CD1 4.21Å; Y1331-I1336 HydrophobicContact CD1-CG1 4.46Å; Y1331-I1336 HydrophobicContact CE1-CD1 3.57Å; Y1331-I1336 HydrophobicContact CE1-CG1 3.81Å; Y1331-I1336 PolarHBondContact O-N 3.33Å; Y1331-I1336 VanDerWaalsContact O-N 3.15Å |
| 1332 | D | 81.8 | Confident | 75.1 | Confident | 20 Ų | 20 | 73.7 Ų | 73.7 | 11% | 0.107 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -63.5 | -47.4 | 174.4 | -173.5 | 70.8 | 0 | 0 | 0 | 110 | F1328 D1330 Y1334 I1336 Q1337 | F1328-D1332 HydrophobicContact CZ-CB 4.48Å; F1328-D1332 WeakPolarHBondContact O-CB 3.5Å; F1328-D1332 PolarHBondContact O-N 3.01Å; D1330-D1332 PolarHBondContact O-N 3.41Å; D1332-Y1334 PolarHBondContact O-N 3.46Å; D1332-I1336 HydrophobicContact CB-CD1 4.49Å; D1332-I1336 CarbonylContact O-C 3.39Å; D1332-I1336 WeakPolarHBondContact O-CB 3.26Å; D1332-I1336 PolarHBondContact O-N 3.46Å; D1332-I1336 VanDerWaalsContact O-N 3.14Å; D1332-I1336 WeakPolarHBondContact OD1-CB 3.5Å; D1332-I1336 VanDerWaalsContact OD1-CD1 3.32Å; D1332-I1336 WeakPolarHBondContact OD1-CD1 3.27Å; D1332-I1336 WeakPolarHBondContact OD1-CG2 3.35Å; D1332-Q1337 WeakPolarHBondContact O-CB 3.45Å; D1332-Q1337 WeakPolarHBondContact O-CG 3.45Å; D1332-Q1337 PolarHBondContact O-N 3.14Å; D1332-Q1337 PolarHBondContact OD2-NE2 3.19Å |
| 1333 | R | 77.6 | Confident | 73.2 | Confident | 153 Ų | 153 | 74.4 Ų | 74.4 | 58% | 0.577 | 32% | 0.32 | S | S | * | . | I | π-helix | trans | -63.7 | -41 | 179.2 | -169.6 | 179.6 | -175.1 | -173.1 | 1.7 | 114.3 | W1329 D1330 G1338 | W1329-R1333 WeakPolarHBondContact O-CB 3.23Å; W1329-R1333 PolarHBondContact O-N 3.37Å; D1330-R1333 CarbonylContact O-C 3.59Å; D1330-R1333 PolarHBondContact O-N 3.35Å; R1333-G1338 PolarHBondContact O-N 2.92Å |
| 1334 | Y | 70 | Confident | 71 | Confident | 145 Ų | 145 | 78.2 Ų | 78.2 | 57% | 0.569 | 34% | 0.337 | S | S | * | . | I | π-helix | trans | -97.9 | -27.9 | -174 | -68.3 | -63.5 | 0 | 0 | 0 | 114.5 | D1330 D1332 G1338 | D1330-Y1334 HydrophobicContact CB-CD2 4.06Å; D1330-Y1334 HydrophobicContact CB-CE2 4.21Å; D1330-Y1334 WeakPolarHBondContact O-CB 3.37Å; D1330-Y1334 WeakPolarHBondContact O-CD2 3.12Å; D1330-Y1334 PolarHBondContact O-N 3.48Å; D1332-Y1334 PolarHBondContact O-N 3.46Å; Y1334-G1338 VanDerWaalsContact O-CA 3.29Å; Y1334-G1338 WeakPolarHBondContact O-CA 3.41Å |
| 1335 | I | 66.3 | Low | 68.8 | Low | 35 Ų | 35 | 84.6 Ų | 84.6 | 18% | 0.179 | 37% | 0.367 | C | S | . | . | I | π-helix | trans | -113.7 | -40.1 | -176.8 | -65.3 | -177.7 | 0 | 0 | 0 | 112.4 | E837 Y1331 K1339 | E837-I1335 HydrophobicContact CG-CD1 3.73Å; E837-I1335 WeakPolarHBondContact OE1-CD1 3.15Å; Y1331-I1335 HydrophobicContact CD2-CB 3.84Å; Y1331-I1335 HydrophobicContact CD2-CD1 3.87Å; Y1331-I1335 HydrophobicContact CD2-CG1 4.27Å; Y1331-I1335 HydrophobicContact CD2-CG2 4.23Å; Y1331-I1335 HydrophobicContact CE2-CB 3.72Å; Y1331-I1335 HydrophobicContact CE2-CD1 4.01Å; Y1331-I1335 HydrophobicContact CE2-CG1 4.41Å; Y1331-I1335 HydrophobicContact CE2-CG2 3.58Å; Y1331-I1335 WeakPolarHBondContact O-CA 3.41Å; Y1331-I1335 WeakPolarHBondContact O-CB 3.46Å; Y1331-I1335 PolarHBondContact O-N 3.14Å; I1335-K1339 HydrophobicContact CG2-CD 4Å; I1335-K1339 HydrophobicContact CG2-CG 4.43Å; I1335-K1339 WeakPolarHBondContact O-CA 3.44Å; I1335-K1339 WeakPolarHBondContact O-CB 3.43Å; I1335-K1339 WeakPolarHBondContact O-CD 3.34Å; I1335-K1339 WeakPolarHBondContact O-CG 3.47Å; I1335-K1339 PolarHBondContact O-N 3.02Å |
| 1336 | I | 65.5 | Low | 66.4 | Low | 34 Ų | 34 | 83.7 Ų | 83.7 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | I | π-helix | trans | -79 | -61.9 | 176.5 | -63.9 | 177.4 | 0 | 0 | 0 | 110 | W787 Y1331 D1332 G1338 K1339 K1340 | W787-I1336 HydrophobicContact CZ3-CD1 3.97Å; Y1331-I1336 HydrophobicContact CD1-CD1 4.21Å; Y1331-I1336 HydrophobicContact CD1-CG1 4.46Å; Y1331-I1336 HydrophobicContact CE1-CD1 3.57Å; Y1331-I1336 HydrophobicContact CE1-CG1 3.81Å; Y1331-I1336 PolarHBondContact O-N 3.33Å; Y1331-I1336 VanDerWaalsContact O-N 3.15Å; D1332-I1336 HydrophobicContact CB-CD1 4.49Å; D1332-I1336 CarbonylContact O-C 3.39Å; D1332-I1336 WeakPolarHBondContact O-CB 3.26Å; D1332-I1336 PolarHBondContact O-N 3.46Å; D1332-I1336 VanDerWaalsContact O-N 3.14Å; D1332-I1336 WeakPolarHBondContact OD1-CB 3.5Å; D1332-I1336 VanDerWaalsContact OD1-CD1 3.32Å; D1332-I1336 WeakPolarHBondContact OD1-CD1 3.27Å; D1332-I1336 WeakPolarHBondContact OD1-CG2 3.35Å; I1336-G1338 PolarHBondContact O-N 3.1Å; I1336-K1339 PolarHBondContact O-N 3.41Å; I1336-K1340 WeakPolarHBondContact O-CB 3.37Å; I1336-K1340 VanDerWaalsContact O-CG 3.32Å; I1336-K1340 WeakPolarHBondContact O-CG 3.35Å; I1336-K1340 PolarHBondContact O-N 2.99Å |
| 1337 | Q | 63.7 | Low | 63.8 | Low | 79 Ų | 79 | 82 Ų | 82 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.9 | -35.2 | 172.4 | -58.5 | 176.9 | 24.3 | 0 | 0 | 110.8 | D1332 K1340 R1341 | D1332-Q1337 WeakPolarHBondContact O-CB 3.45Å; D1332-Q1337 WeakPolarHBondContact O-CG 3.45Å; D1332-Q1337 PolarHBondContact O-N 3.14Å; D1332-Q1337 PolarHBondContact OD2-NE2 3.19Å; Q1337-K1340 CarbonylContact O-C 3.6Å; Q1337-K1340 WeakPolarHBondContact O-CA 3.42Å; Q1337-K1340 WeakPolarHBondContact O-CB 3.48Å; Q1337-K1340 PolarHBondContact O-N 3.33Å; Q1337-R1341 WeakPolarHBondContact O-CG 3.37Å; Q1337-R1341 PolarHBondContact O-N 3.31Å |
| 1338 | G | 60.5 | Low | 61.3 | Low | 11 Ų | 11 | 89.2 Ų | 89.2 | 11% | 0.113 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -73.2 | -31 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1333 Y1334 I1336 R1341 K1342 | R1333-G1338 PolarHBondContact O-N 2.92Å; Y1334-G1338 VanDerWaalsContact O-CA 3.29Å; Y1334-G1338 WeakPolarHBondContact O-CA 3.41Å; I1336-G1338 PolarHBondContact O-N 3.1Å; G1338-R1341 CarbonylContact O-C 3.46Å; G1338-R1341 PolarHBondContact O-N 2.97Å; G1338-K1342 WeakPolarHBondContact O-CB 3.45Å; G1338-K1342 WeakPolarHBondContact O-CG 3.29Å; G1338-K1342 PolarHBondContact O-N 3.04Å |
| 1339 | K | 58.7 | Low | 58.4 | Low | 110 Ų | 110 | 97.1 Ų | 97.1 | 48% | 0.478 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 164.6 | -79 | 169.6 | 178 | 172.5 | 0 | 110.7 | I1335 I1336 R1341 K1342 Q1343 | I1335-K1339 HydrophobicContact CG2-CD 4Å; I1335-K1339 HydrophobicContact CG2-CG 4.43Å; I1335-K1339 WeakPolarHBondContact O-CA 3.44Å; I1335-K1339 WeakPolarHBondContact O-CB 3.43Å; I1335-K1339 WeakPolarHBondContact O-CD 3.34Å; I1335-K1339 WeakPolarHBondContact O-CG 3.47Å; I1335-K1339 PolarHBondContact O-N 3.02Å; I1336-K1339 PolarHBondContact O-N 3.41Å; K1339-R1341 PolarHBondContact O-N 2.65Å; K1339-K1342 PolarHBondContact O-N 3.47Å; K1339-Q1343 VanDerWaalsContact O-CB 3.31Å; K1339-Q1343 WeakPolarHBondContact O-CB 3.35Å; K1339-Q1343 WeakPolarHBondContact O-CG 3.41Å; K1339-Q1343 PolarHBondContact O-N 2.71Å |
| 1340 | K | 55.5 | Low | 55.8 | Low | 126 Ų | 126 | 98.3 Ų | 98.3 | 55% | 0.548 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.5 | -21.1 | 170 | -68.9 | 171.5 | -179.5 | 177.9 | 0 | 112.8 | I1336 Q1337 K1344 | I1336-K1340 WeakPolarHBondContact O-CB 3.37Å; I1336-K1340 VanDerWaalsContact O-CG 3.32Å; I1336-K1340 WeakPolarHBondContact O-CG 3.35Å; I1336-K1340 PolarHBondContact O-N 2.99Å; Q1337-K1340 CarbonylContact O-C 3.6Å; Q1337-K1340 WeakPolarHBondContact O-CA 3.42Å; Q1337-K1340 WeakPolarHBondContact O-CB 3.48Å; Q1337-K1340 PolarHBondContact O-N 3.33Å; K1340-K1344 WeakPolarHBondContact O-CD 3.44Å; K1340-K1344 VanDerWaalsContact O-CE 3.24Å; K1340-K1344 WeakPolarHBondContact O-CE 3.5Å; K1340-K1344 WeakPolarHBondContact O-CG 3.26Å |
| 1341 | R | 50.7 | Low | 53.5 | Low | 155 Ų | 155 | 99.5 Ų | 99.5 | 59% | 0.585 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -85.9 | -46.4 | 168.2 | -71.4 | 174.3 | -176.9 | -167 | -2.4 | 112.1 | Q1337 G1338 K1339 Q1343 K1344 E1345 | Q1337-R1341 WeakPolarHBondContact O-CG 3.37Å; Q1337-R1341 PolarHBondContact O-N 3.31Å; G1338-R1341 CarbonylContact O-C 3.46Å; G1338-R1341 PolarHBondContact O-N 2.97Å; K1339-R1341 PolarHBondContact O-N 2.65Å; R1341-Q1343 PolarHBondContact O-N 3.24Å; R1341-K1344 CarbonylContact O-C 3.53Å; R1341-K1344 VanDerWaalsContact O-CA 3.3Å; R1341-K1344 WeakPolarHBondContact O-CA 3.22Å; R1341-K1344 VanDerWaalsContact O-CB 3.28Å; R1341-K1344 WeakPolarHBondContact O-CB 3.19Å; R1341-K1344 PolarHBondContact O-N 3.41Å; R1341-E1345 WeakPolarHBondContact O-CG 3.36Å; R1341-E1345 PolarHBondContact O-N 2.94Å |
| 1342 | K | 48.4 | Very low | 51.2 | Low | 151 Ų | 151 | 106 Ų | 106 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.1 | -24.7 | 179.6 | -73 | -176.2 | 176.8 | -177.2 | 0 | 114.6 | G1338 K1339 K1344 G1346 | G1338-K1342 WeakPolarHBondContact O-CB 3.45Å; G1338-K1342 WeakPolarHBondContact O-CG 3.29Å; G1338-K1342 PolarHBondContact O-N 3.04Å; K1339-K1342 PolarHBondContact O-N 3.47Å; K1342-K1344 VanDerWaalsContact C-N 3.29Å; K1342-G1346 WeakPolarHBondContact O-CA 3.44Å; K1342-G1346 PolarHBondContact O-N 3.48Å |
| 1343 | Q | 46.8 | Very low | 49 | Very low | 147 Ų | 147 | 116.2 Ų | 116.2 | 69% | 0.687 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -75 | -17.5 | 166 | -74 | 179.6 | -46.1 | 0 | 0 | 112.6 | K1339 R1341 | K1339-Q1343 VanDerWaalsContact O-CB 3.31Å; K1339-Q1343 WeakPolarHBondContact O-CB 3.35Å; K1339-Q1343 WeakPolarHBondContact O-CG 3.41Å; K1339-Q1343 PolarHBondContact O-N 2.71Å; R1341-Q1343 PolarHBondContact O-N 3.24Å |
| 1344 | K | 43.8 | Very low | 46.9 | Very low | 105 Ų | 105 | 112.2 Ų | 112.2 | 46% | 0.457 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -88 | -27.9 | 168.1 | -64.1 | 171.2 | -173 | -173.5 | 0 | 112.4 | K1340 R1341 K1342 | K1340-K1344 WeakPolarHBondContact O-CD 3.44Å; K1340-K1344 VanDerWaalsContact O-CE 3.24Å; K1340-K1344 WeakPolarHBondContact O-CE 3.5Å; K1340-K1344 WeakPolarHBondContact O-CG 3.26Å; R1341-K1344 CarbonylContact O-C 3.53Å; R1341-K1344 VanDerWaalsContact O-CA 3.3Å; R1341-K1344 WeakPolarHBondContact O-CA 3.22Å; R1341-K1344 VanDerWaalsContact O-CB 3.28Å; R1341-K1344 WeakPolarHBondContact O-CB 3.19Å; R1341-K1344 PolarHBondContact O-N 3.41Å; K1342-K1344 VanDerWaalsContact C-N 3.29Å |
| 1345 | E | 44.3 | Very low | 45.1 | Very low | 135 Ų | 135 | 109.6 Ų | 109.6 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -96.5 | -33.4 | -176.4 | -69 | 165.2 | 178.1 | 0 | 0 | 113.8 | R1341 | R1341-E1345 WeakPolarHBondContact O-CG 3.36Å; R1341-E1345 PolarHBondContact O-N 2.94Å |
| 1346 | G | 38.3 | Very low | 43.7 | Very low | 57 Ų | 57 | 114 Ų | 114 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -91.5 | -0.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116 | K1342 K1348 | K1342-G1346 WeakPolarHBondContact O-CA 3.44Å; K1342-G1346 PolarHBondContact O-N 3.48Å; G1346-K1348 PolarHBondContact O-N 2.86Å; G1346-K1348 VanDerWaalsContact O-N 3.07Å |
| 1347 | G | 35.1 | Very low | 42.3 | Very low | 41 Ų | 41 | 119 Ų | 119 | 42% | 0.423 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | 10.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | M1349 | G1347-M1349 VanDerWaalsContact C-N 3.26Å; G1347-M1349 PolarHBondContact O-N 3.11Å |
| 1348 | K | 35.8 | Very low | 41.2 | Very low | 201 Ų | 201 | 119.5 Ų | 119.5 | 87% | 0.874 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -10.2 | -174.5 | -79.1 | -173.9 | 174.1 | -179.6 | 0 | 115.1 | G1346 | G1346-K1348 PolarHBondContact O-N 2.86Å; G1346-K1348 VanDerWaalsContact O-N 3.07Å |
| 1349 | M | 29.5 | Very low | 40 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 82% | 0.823 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -140 | 138.5 | 169.6 | -70.6 | 174.9 | 107.2 | 0 | 0 | 109.4 | G1347 | G1347-M1349 VanDerWaalsContact C-N 3.26Å; G1347-M1349 PolarHBondContact O-N 3.11Å |
| 1350 | V | 31.3 | Very low | 39.2 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 91% | 0.909 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 72.1 | 60.8 | 174.9 | -158.4 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1351 | S | 36.6 | Very low | 38.4 | Very low | 60 Ų | 60 | 127.4 Ų | 127.4 | 42% | 0.42 | 65% | 0.646 | S | S | . | * | trans | -174.9 | 106.7 | 143.7 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | R1353 T1354 | S1351-R1353 PolarHBondContact O-N 2.92Å; S1351-T1354 PolarHBondContact OG-OG1 3.4Å | ||
| 1352 | V | 34.3 | Very low | 37.9 | Very low | 144 Ų | 144 | 123 Ų | 123 | 87% | 0.873 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -13.8 | -175.5 | 177.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1353 | R | 35.6 | Very low | 37.5 | Very low | 235 Ų | 235 | 118.2 Ų | 118.2 | 89% | 0.887 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -6.5 | -171.1 | -144.9 | 171.4 | -173.6 | 161 | 0.7 | 114.8 | S1351 | S1351-R1353 PolarHBondContact O-N 2.92Š|
| 1354 | T | 34.8 | Very low | 37.2 | Very low | 69 Ų | 69 | 114 Ų | 114 | 42% | 0.423 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.6 | -16.4 | -171 | -27.8 | 0 | 0 | 0 | 0 | 113.8 | S1351 V1356 M1357 | S1351-T1354 PolarHBondContact OG-OG1 3.4Å; T1354-V1356 VanDerWaalsContact C-N 3.25Å; T1354-V1356 PolarHBondContact O-N 3.1Å; T1354-M1357 PolarHBondContact O-N 2.92Å |
| 1355 | T | 31.8 | Very low | 37.5 | Very low | 89 Ų | 89 | 114.1 Ų | 114.1 | 55% | 0.546 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.2 | -20.4 | -176.6 | 34.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1356 | V | 37.4 | Very low | 37.8 | Very low | 128 Ų | 128 | 110.9 Ų | 110.9 | 78% | 0.776 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -21.3 | -178.6 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | T1354 | T1354-V1356 VanDerWaalsContact C-N 3.25Å; T1354-V1356 PolarHBondContact O-N 3.1Å |
| 1357 | M | 36.3 | Very low | 38.4 | Very low | 138 Ų | 138 | 109.6 Ų | 109.6 | 68% | 0.68 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -100.5 | -4 | -171.7 | -75.8 | -171.1 | 161.3 | 0 | 0 | 115.9 | T1354 | T1354-M1357 PolarHBondContact O-N 2.92Š|
| 1358 | Q | 39.5 | Very low | 39.3 | Very low | 91 Ų | 91 | 112.8 Ų | 112.8 | 43% | 0.425 | 60% | 0.6 | S | S | . | * | trans | -114.3 | 4.2 | -168.8 | -70.6 | -169.2 | -10.5 | 0 | 0 | 116.3 | N1360 | Q1358-N1360 VanDerWaalsContact C-N 3.28Å; Q1358-N1360 PolarHBondContact O-N 3.11Å | ||
| 1359 | M | 35.9 | Very low | 40.7 | Very low | 162 Ų | 162 | 108 Ų | 108 | 80% | 0.798 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -20.9 | 177.7 | -70.7 | 179 | 102.6 | 0 | 0 | 114 | R1361 | M1359-R1361 PolarHBondContact O-N 3.16Š|
| 1360 | N | 41.8 | Very low | 42.3 | Very low | 97 Ų | 97 | 103.4 Ų | 103.4 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.7 | -34.6 | -171.3 | -66.2 | 4.5 | 0 | 0 | 0 | 114.9 | Q1358 G1362 A1363 E1364 | Q1358-N1360 VanDerWaalsContact C-N 3.28Å; Q1358-N1360 PolarHBondContact O-N 3.11Å; N1360-G1362 PolarHBondContact O-N 3.43Å; N1360-A1363 WeakPolarHBondContact O-CB 3.43Å; N1360-A1363 PolarHBondContact O-N 3.21Å; N1360-A1363 VanDerWaalsContact O-N 3.16Å; N1360-E1364 PolarHBondContact O-N 3.25Å |
| 1361 | R | 38.4 | Very low | 43.7 | Very low | 154 Ų | 154 | 97 Ų | 97 | 58% | 0.581 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -77.4 | -22 | -166.2 | -111.1 | 177.3 | -177.3 | 133 | 5.3 | 116.7 | M1359 E1364 | M1359-R1361 PolarHBondContact O-N 3.16Å; R1361-E1364 WeakPolarHBondContact CG-OE2 3.39Å; R1361-E1364 IonicContact NE-OE2 2.67Å |
| 1362 | G | 39.7 | Very low | 45.2 | Very low | 62 Ų | 62 | 97 Ų | 97 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -78 | -28.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1360 S1366 | N1360-G1362 PolarHBondContact O-N 3.43Å; G1362-S1366 PolarHBondContact O-OG 2.85Å |
| 1363 | A | 41.1 | Very low | 47.1 | Very low | 51 Ų | 51 | 94.6 Ų | 94.6 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.3 | -48.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | N1360 I1365 S1366 S1367 | N1360-A1363 WeakPolarHBondContact O-CB 3.43Å; N1360-A1363 PolarHBondContact O-N 3.21Å; N1360-A1363 VanDerWaalsContact O-N 3.16Å; A1363-I1365 PolarHBondContact O-N 3.22Å; A1363-S1366 CarbonylContact O-C 3.53Å; A1363-S1366 WeakPolarHBondContact O-CA 3.33Å; A1363-S1366 PolarHBondContact O-N 3.49Å; A1363-S1366 PolarHBondContact O-OG 3.48Å; A1363-S1367 PolarHBondContact O-N 3.17Å; A1363-S1367 PolarHBondContact O-OG 2.97Å |
| 1364 | E | 41.2 | Very low | 48.7 | Very low | 58 Ų | 58 | 86 Ų | 86 | 27% | 0.271 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -43.1 | -56.3 | 179.4 | -77.1 | 160.6 | -151.2 | 0 | 0 | 113.5 | N1360 R1361 S1366 S1367 E1368 | N1360-E1364 PolarHBondContact O-N 3.25Å; R1361-E1364 WeakPolarHBondContact CG-OE2 3.39Å; R1361-E1364 IonicContact NE-OE2 2.67Å; E1364-S1366 VanDerWaalsContact C-N 3.31Å; E1364-S1366 PolarHBondContact O-N 2.7Å; E1364-S1367 PolarHBondContact O-N 3.45Å; E1364-S1367 PolarHBondContact O-OG 2.89Å; E1364-E1368 WeakPolarHBondContact O-CG 3.44Å; E1364-E1368 PolarHBondContact O-N 3.2Å |
| 1365 | I | 48.8 | Very low | 50.2 | Low | 107 Ų | 107 | 86.2 Ų | 86.2 | 55% | 0.549 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.9 | -30.6 | -177.9 | -59.5 | 173.6 | 0 | 0 | 0 | 112 | A1363 I1369 | A1363-I1365 PolarHBondContact O-N 3.22Å; I1365-I1369 HydrophobicContact CG2-CD1 4.27Å; I1365-I1369 WeakPolarHBondContact O-CG1 3.45Å; I1365-I1369 PolarHBondContact O-N 3.34Å |
| 1366 | S | 50.1 | Low | 52.1 | Low | 67 Ų | 67 | 89.7 Ų | 89.7 | 47% | 0.469 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.5 | -32.4 | 175.5 | 72.6 | 0 | 0 | 0 | 0 | 112.6 | G1362 A1363 E1364 S1370 | G1362-S1366 PolarHBondContact O-OG 2.85Å; A1363-S1366 CarbonylContact O-C 3.53Å; A1363-S1366 WeakPolarHBondContact O-CA 3.33Å; A1363-S1366 PolarHBondContact O-N 3.49Å; A1363-S1366 PolarHBondContact O-OG 3.48Å; E1364-S1366 VanDerWaalsContact C-N 3.31Å; E1364-S1366 PolarHBondContact O-N 2.7Å; S1366-S1370 WeakPolarHBondContact O-CB 3.37Å; S1366-S1370 PolarHBondContact O-N 2.85Å; S1366-S1370 PolarHBondContact O-OG 3.22Å |
| 1367 | S | 52.6 | Low | 53.7 | Low | 30 Ų | 30 | 91.5 Ų | 91.5 | 21% | 0.21 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -76 | -39.2 | 175.6 | 63.5 | 0 | 0 | 0 | 0 | 111 | A1363 E1364 I1369 S1370 A1371 | A1363-S1367 PolarHBondContact O-N 3.17Å; A1363-S1367 PolarHBondContact O-OG 2.97Å; E1364-S1367 PolarHBondContact O-N 3.45Å; E1364-S1367 PolarHBondContact O-OG 2.89Å; S1367-I1369 VanDerWaalsContact C-N 3.33Å; S1367-I1369 PolarHBondContact O-N 3.23Å; S1367-S1370 PolarHBondContact O-N 3.18Å; S1367-A1371 WeakPolarHBondContact O-CB 3.3Å; S1367-A1371 PolarHBondContact O-N 2.91Å |
| 1368 | E | 52.5 | Low | 55.2 | Low | 108 Ų | 108 | 90.6 Ų | 90.6 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55 | -46.4 | 171.2 | -77.6 | 179.5 | 174.6 | 0 | 0 | 112 | E1364 A1372 | E1364-E1368 WeakPolarHBondContact O-CG 3.44Å; E1364-E1368 PolarHBondContact O-N 3.2Å; E1368-A1372 WeakPolarHBondContact O-CB 3.42Å; E1368-A1372 PolarHBondContact O-N 3.37Å |
| 1369 | I | 65.5 | Low | 56.7 | Low | 100 Ų | 100 | 90.5 Ų | 90.5 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.1 | -42 | 179.2 | -66.5 | 171.4 | 0 | 0 | 0 | 111 | I1365 S1367 I1373 | I1365-I1369 HydrophobicContact CG2-CD1 4.27Å; I1365-I1369 WeakPolarHBondContact O-CG1 3.45Å; I1365-I1369 PolarHBondContact O-N 3.34Å; S1367-I1369 VanDerWaalsContact C-N 3.33Å; S1367-I1369 PolarHBondContact O-N 3.23Å; I1369-I1373 HydrophobicContact CG2-CD1 3.86Å; I1369-I1373 WeakPolarHBondContact O-CB 3.48Å; I1369-I1373 VanDerWaalsContact O-CG1 3.27Å; I1369-I1373 WeakPolarHBondContact O-CG1 3.48Å; I1369-I1373 PolarHBondContact O-N 3.18Å |
| 1370 | S | 64.3 | Low | 58.4 | Low | 71 Ų | 71 | 85.7 Ų | 85.7 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 174.9 | -76.6 | 0 | 0 | 0 | 0 | 112.5 | S1366 S1367 I1373 S1374 | S1366-S1370 WeakPolarHBondContact O-CB 3.37Å; S1366-S1370 PolarHBondContact O-N 2.85Å; S1366-S1370 PolarHBondContact O-OG 3.22Å; S1367-S1370 PolarHBondContact O-N 3.18Å; S1370-I1373 PolarHBondContact O-N 2.92Å; S1370-S1374 VanDerWaalsContact O-CB 3.29Å; S1370-S1374 WeakPolarHBondContact O-CB 3.47Å; S1370-S1374 PolarHBondContact O-N 3.27Å |
| 1371 | A | 60.2 | Low | 60 | Low | 15 Ų | 15 | 86.9 Ų | 86.9 | 12% | 0.124 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D586 S1367 I1373 S1374 T1375 | D586-A1371 VanDerWaalsContact OD1-CB 3.26Å; D586-A1371 WeakPolarHBondContact OD1-CB 3.37Å; S1367-A1371 WeakPolarHBondContact O-CB 3.3Å; S1367-A1371 PolarHBondContact O-N 2.91Å; A1371-I1373 PolarHBondContact O-N 3.28Å; A1371-S1374 PolarHBondContact O-N 2.79Å; A1371-T1375 PolarHBondContact O-N 3.23Å; A1371-T1375 PolarHBondContact O-OG1 3.03Å |
| 1372 | A | 68.3 | Low | 61.3 | Low | 61 Ų | 61 | 83.1 Ų | 83.1 | 50% | 0.504 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | E1368 T1375 Y1376 | E1368-A1372 WeakPolarHBondContact O-CB 3.42Å; E1368-A1372 PolarHBondContact O-N 3.37Å; A1372-T1375 WeakPolarHBondContact CA-OG1 3.33Å; A1372-T1375 PolarHBondContact O-OG1 3.21Å; A1372-Y1376 PolarHBondContact O-N 3.35Å |
| 1373 | I | 72.9 | Confident | 62.8 | Low | 94 Ų | 94 | 87.4 Ų | 87.4 | 48% | 0.482 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.4 | -41.6 | 173.3 | -69.8 | 168.9 | 0 | 0 | 0 | 110.4 | I1369 S1370 A1371 Y1376 Y1377 | I1369-I1373 HydrophobicContact CG2-CD1 3.86Å; I1369-I1373 WeakPolarHBondContact O-CB 3.48Å; I1369-I1373 VanDerWaalsContact O-CG1 3.27Å; I1369-I1373 WeakPolarHBondContact O-CG1 3.48Å; I1369-I1373 PolarHBondContact O-N 3.18Å; S1370-I1373 PolarHBondContact O-N 2.92Å; A1371-I1373 PolarHBondContact O-N 3.28Å; I1373-Y1376 PolarHBondContact O-N 3.16Å; I1373-Y1377 HydrophobicContact CG2-CD2 3.87Å; I1373-Y1377 HydrophobicContact CG2-CE2 4.06Å; I1373-Y1377 WeakPolarHBondContact O-CD2 3.23Å; I1373-Y1377 PolarHBondContact O-N 3.33Å |
| 1374 | S | 69.7 | Low | 64.3 | Low | 55 Ų | 55 | 90.2 Ų | 90.2 | 39% | 0.385 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62 | -47.7 | 178.6 | -168 | 0 | 0 | 0 | 0 | 111.8 | S1370 A1371 Y1376 Y1377 Q1378 | S1370-S1374 VanDerWaalsContact O-CB 3.29Å; S1370-S1374 WeakPolarHBondContact O-CB 3.47Å; S1370-S1374 PolarHBondContact O-N 3.27Å; A1371-S1374 PolarHBondContact O-N 2.79Å; S1374-Y1376 VanDerWaalsContact C-N 3.29Å; S1374-Y1376 PolarHBondContact O-N 3.31Å; S1374-Y1377 PolarHBondContact O-N 3Å; S1374-Y1377 VanDerWaalsContact O-N 3.16Å; S1374-Q1378 WeakPolarHBondContact O-CB 3.35Å; S1374-Q1378 WeakPolarHBondContact O-CG 3.23Å; S1374-Q1378 PolarHBondContact O-N 3.01Å |
| 1375 | T | 66.8 | Low | 65.7 | Low | 72 Ų | 72 | 90 Ų | 90 | 44% | 0.442 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -35.7 | 176.9 | 26.6 | 0 | 0 | 0 | 0 | 112.7 | A1371 A1372 T1379 | A1371-T1375 PolarHBondContact O-N 3.23Å; A1371-T1375 PolarHBondContact O-OG1 3.03Å; A1372-T1375 WeakPolarHBondContact CA-OG1 3.33Å; A1372-T1375 PolarHBondContact O-OG1 3.21Å; T1375-T1379 WeakPolarHBondContact O-CB 3.42Å; T1375-T1379 PolarHBondContact O-N 3.47Å; T1375-T1379 PolarHBondContact O-OG1 3.43Å |
| 1376 | Y | 70.6 | Confident | 66.6 | Low | 162 Ų | 162 | 92.1 Ų | 92.1 | 64% | 0.635 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.8 | -40.1 | 175.5 | -172.1 | -93.4 | 0 | 0 | 0 | 112.7 | A1372 I1373 S1374 T1379 T1380 | A1372-Y1376 PolarHBondContact O-N 3.35Å; I1373-Y1376 PolarHBondContact O-N 3.16Å; S1374-Y1376 VanDerWaalsContact C-N 3.29Å; S1374-Y1376 PolarHBondContact O-N 3.31Å; Y1376-T1379 PolarHBondContact O-OG1 2.78Å; Y1376-T1380 HydrophobicContact CE1-CG2 4.33Å; Y1376-T1380 WeakPolarHBondContact O-CG2 3.24Å; Y1376-T1380 PolarHBondContact O-N 3.13Å; Y1376-T1380 PolarHBondContact O-OG1 3.23Å |
| 1377 | Y | 70.8 | Confident | 67.8 | Low | 167 Ų | 167 | 92.8 Ų | 92.8 | 66% | 0.655 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.3 | -41.7 | 173.2 | -92.9 | -78.6 | 0 | 0 | 0 | 112.3 | I1373 S1374 T1380 H1381 | I1373-Y1377 HydrophobicContact CG2-CD2 3.87Å; I1373-Y1377 HydrophobicContact CG2-CE2 4.06Å; I1373-Y1377 WeakPolarHBondContact O-CD2 3.23Å; I1373-Y1377 PolarHBondContact O-N 3.33Å; S1374-Y1377 PolarHBondContact O-N 3Å; S1374-Y1377 VanDerWaalsContact O-N 3.16Å; Y1377-T1380 PolarHBondContact O-OG1 2.84Å; Y1377-H1381 WeakPolarHBondContact O-CB 3.47Å; Y1377-H1381 PolarHBondContact O-N 2.87Å |
| 1378 | Q | 68.3 | Low | 68.7 | Low | 118 Ų | 118 | 97.2 Ų | 97.2 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.6 | -50 | 176.9 | -75 | 176.7 | -22.3 | 0 | 0 | 111.5 | S1374 T1380 H1381 D1382 | S1374-Q1378 WeakPolarHBondContact O-CB 3.35Å; S1374-Q1378 WeakPolarHBondContact O-CG 3.23Å; S1374-Q1378 PolarHBondContact O-N 3.01Å; Q1378-T1380 VanDerWaalsContact C-N 3.29Å; Q1378-T1380 PolarHBondContact O-N 2.9Å; Q1378-H1381 PolarHBondContact O-N 3.41Å; Q1378-H1381 VanDerWaalsContact O-N 3.12Å; Q1378-D1382 WeakPolarHBondContact O-CB 3.44Å; Q1378-D1382 PolarHBondContact O-N 3.32Å |
| 1379 | T | 70.9 | Confident | 69.6 | Low | 90 Ų | 90 | 95.1 Ų | 95.1 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.8 | -31.5 | 179.9 | 42.9 | 0 | 0 | 0 | 0 | 113.9 | T1375 Y1376 F1383 | T1375-T1379 WeakPolarHBondContact O-CB 3.42Å; T1375-T1379 PolarHBondContact O-N 3.47Å; T1375-T1379 PolarHBondContact O-OG1 3.43Å; Y1376-T1379 PolarHBondContact O-OG1 2.78Å; T1379-F1383 PolarHBondContact O-N 2.66Å |
| 1380 | T | 72.2 | Confident | 69.9 | Low | 60 Ų | 60 | 97.7 Ų | 97.7 | 37% | 0.368 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.8 | -36 | 173.7 | 48.3 | 0 | 0 | 0 | 0 | 112.5 | Y1376 Y1377 Q1378 F1383 L1384 | Y1376-T1380 HydrophobicContact CE1-CG2 4.33Å; Y1376-T1380 WeakPolarHBondContact O-CG2 3.24Å; Y1376-T1380 PolarHBondContact O-N 3.13Å; Y1376-T1380 PolarHBondContact O-OG1 3.23Å; Y1377-T1380 PolarHBondContact O-OG1 2.84Å; Q1378-T1380 VanDerWaalsContact C-N 3.29Å; Q1378-T1380 PolarHBondContact O-N 2.9Å; T1380-F1383 PolarHBondContact O-N 2.88Å; T1380-L1384 PolarHBondContact O-N 3.49Å |
| 1381 | H | 74.2 | Confident | 70.3 | Confident | 122 Ų | 122 | 98.3 Ų | 98.3 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.6 | -45 | 174.6 | -162.6 | 64.3 | 0 | 0 | 0 | 112.2 | Y1377 Q1378 F1383 L1384 T1385 | Y1377-H1381 WeakPolarHBondContact O-CB 3.47Å; Y1377-H1381 PolarHBondContact O-N 2.87Å; Q1378-H1381 PolarHBondContact O-N 3.41Å; Q1378-H1381 VanDerWaalsContact O-N 3.12Å; H1381-F1383 PolarHBondContact O-N 2.94Å; H1381-L1384 PolarHBondContact O-N 2.89Å; H1381-L1384 VanDerWaalsContact O-N 3.11Å; H1381-T1385 PolarHBondContact O-N 3.21Å; H1381-T1385 VanDerWaalsContact O-N 3.16Å; H1381-T1385 PolarHBondContact O-OG1 2.86Å |
| 1382 | D | 67.7 | Low | 70.9 | Confident | 75 Ų | 75 | 102.4 Ų | 102.4 | 40% | 0.401 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -28.3 | 177 | -118.8 | 41.8 | 0 | 0 | 0 | 113.4 | Q1378 T1385 R1386 | Q1378-D1382 WeakPolarHBondContact O-CB 3.44Å; Q1378-D1382 PolarHBondContact O-N 3.32Å; D1382-T1385 PolarHBondContact O-OG1 3.12Å; D1382-R1386 WeakPolarHBondContact O-CB 3.42Å; D1382-R1386 VanDerWaalsContact O-CD 3.24Å; D1382-R1386 WeakPolarHBondContact O-CD 3.43Å; D1382-R1386 WeakPolarHBondContact O-CG 3.5Å; D1382-R1386 PolarHBondContact O-NE 3.39Å; D1382-R1386 IonicContact OD2-CZ 2.75Å; D1382-R1386 IonicContact OD2-NE 3.21Å; D1382-R1386 IonicContact OD2-NH2 2.83Å; D1382-R1386 PolarHBondContact OD2-NH2 3.04Å |
| 1383 | F | 69.3 | Low | 70.9 | Confident | 152 Ų | 152 | 108.7 Ų | 108.7 | 67% | 0.667 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -76.7 | -36.1 | 177.2 | -154.6 | -86.7 | 0 | 0 | 0 | 112.1 | T1379 T1380 H1381 V1387 | T1379-F1383 PolarHBondContact O-N 2.66Å; T1380-F1383 PolarHBondContact O-N 2.88Å; H1381-F1383 PolarHBondContact O-N 2.94Å; F1383-V1387 WeakPolarHBondContact O-CG2 3.49Å; F1383-V1387 PolarHBondContact O-N 3.24Å |
| 1384 | L | 72.5 | Confident | 70.8 | Confident | 110 Ų | 110 | 110 Ų | 110 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.1 | -48.3 | 178.6 | -72.8 | 167.3 | 0 | 0 | 0 | 111.7 | T1380 H1381 R1386 V1387 E1388 | T1380-L1384 PolarHBondContact O-N 3.49Å; H1381-L1384 PolarHBondContact O-N 2.89Å; H1381-L1384 VanDerWaalsContact O-N 3.11Å; L1384-R1386 VanDerWaalsContact C-N 3.26Å; L1384-R1386 PolarHBondContact O-N 3.26Å; L1384-V1387 WeakPolarHBondContact O-CB 3.41Å; L1384-V1387 PolarHBondContact O-N 3.03Å; L1384-E1388 PolarHBondContact O-N 3.14Å |
| 1385 | T | 70.6 | Confident | 70.8 | Confident | 54 Ų | 54 | 115.7 Ų | 115.7 | 33% | 0.331 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.9 | -32.1 | 179.7 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | H1381 D1382 V1387 S1389 | H1381-T1385 PolarHBondContact O-N 3.21Å; H1381-T1385 VanDerWaalsContact O-N 3.16Å; H1381-T1385 PolarHBondContact O-OG1 2.86Å; D1382-T1385 PolarHBondContact O-OG1 3.12Å; T1385-V1387 VanDerWaalsContact C-N 3.31Å; T1385-V1387 PolarHBondContact O-N 3.5Å; T1385-S1389 WeakPolarHBondContact O-CB 3.36Å; T1385-S1389 PolarHBondContact O-N 3.12Å; T1385-S1389 VanDerWaalsContact O-N 3.13Å; T1385-S1389 PolarHBondContact O-OG 3.18Å |
| 1386 | R | 68.9 | Low | 71 | Confident | 151 Ų | 151 | 115.6 Ų | 115.6 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71 | -19.2 | 172.9 | -72.9 | 174.5 | -164.5 | -174.2 | 7.1 | 114.4 | D1382 L1384 | D1382-R1386 WeakPolarHBondContact O-CB 3.42Å; D1382-R1386 VanDerWaalsContact O-CD 3.24Å; D1382-R1386 WeakPolarHBondContact O-CD 3.43Å; D1382-R1386 WeakPolarHBondContact O-CG 3.5Å; D1382-R1386 PolarHBondContact O-NE 3.39Å; D1382-R1386 IonicContact OD2-CZ 2.75Å; D1382-R1386 IonicContact OD2-NE 3.21Å; D1382-R1386 IonicContact OD2-NH2 2.83Å; D1382-R1386 PolarHBondContact OD2-NH2 3.04Å; L1384-R1386 VanDerWaalsContact C-N 3.26Å; L1384-R1386 PolarHBondContact O-N 3.26Å |
| 1387 | V | 74.2 | Confident | 71.2 | Confident | 81 Ų | 81 | 112.1 Ų | 112.1 | 49% | 0.491 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -83.9 | -48 | 174 | 172.8 | 0 | 0 | 0 | 0 | 110 | F1383 L1384 T1385 S1389 K1390 T1391 | F1383-V1387 WeakPolarHBondContact O-CG2 3.49Å; F1383-V1387 PolarHBondContact O-N 3.24Å; L1384-V1387 WeakPolarHBondContact O-CB 3.41Å; L1384-V1387 PolarHBondContact O-N 3.03Å; T1385-V1387 VanDerWaalsContact C-N 3.31Å; T1385-V1387 PolarHBondContact O-N 3.5Å; V1387-S1389 PolarHBondContact O-N 3.07Å; V1387-K1390 WeakPolarHBondContact O-CB 3.39Å; V1387-K1390 PolarHBondContact O-N 3.45Å; V1387-K1390 VanDerWaalsContact O-N 3.14Å; V1387-T1391 PolarHBondContact O-N 3.32Å; V1387-T1391 PolarHBondContact O-OG1 3.36Å |
| 1388 | E | 71.4 | Confident | 71.3 | Confident | 124 Ų | 124 | 110.5 Ų | 110.5 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.7 | -45.4 | 179.8 | -65.5 | 178.7 | 151.1 | 0 | 0 | 112.2 | L1384 K1390 T1391 D1392 | L1384-E1388 PolarHBondContact O-N 3.14Å; E1388-K1390 PolarHBondContact O-N 3.42Å; E1388-K1390 VanDerWaalsContact O-N 3.16Å; E1388-T1391 WeakPolarHBondContact CA-OG1 3.35Å; E1388-T1391 PolarHBondContact O-N 2.58Å; E1388-T1391 VanDerWaalsContact O-N 3.11Å; E1388-T1391 PolarHBondContact O-OG1 3Å; E1388-D1392 PolarHBondContact O-N 3.02Å |
| 1389 | S | 71.6 | Confident | 71.6 | Confident | 64 Ų | 64 | 110.7 Ų | 110.7 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -18.3 | 177.2 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | T1385 V1387 R1393 | T1385-S1389 WeakPolarHBondContact O-CB 3.36Å; T1385-S1389 PolarHBondContact O-N 3.12Å; T1385-S1389 VanDerWaalsContact O-N 3.13Å; T1385-S1389 PolarHBondContact O-OG 3.18Å; V1387-S1389 PolarHBondContact O-N 3.07Å; S1389-R1393 WeakPolarHBondContact O-CD 3.45Å; S1389-R1393 VanDerWaalsContact O-CG 3.29Å; S1389-R1393 WeakPolarHBondContact O-CG 3.32Å |
| 1390 | K | 72.6 | Confident | 71.7 | Confident | 153 Ų | 153 | 113.5 Ų | 113.5 | 67% | 0.665 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -81.7 | -35.3 | 172.4 | -80.9 | 178.9 | 177.9 | 175 | 0 | 112.5 | V1387 E1388 | V1387-K1390 WeakPolarHBondContact O-CB 3.39Å; V1387-K1390 PolarHBondContact O-N 3.45Å; V1387-K1390 VanDerWaalsContact O-N 3.14Å; E1388-K1390 PolarHBondContact O-N 3.42Å; E1388-K1390 VanDerWaalsContact O-N 3.16Å |
| 1391 | T | 73.3 | Confident | 72 | Confident | 85 Ų | 85 | 114.5 Ų | 114.5 | 52% | 0.521 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.7 | -40.8 | -180 | 33.9 | 0 | 0 | 0 | 0 | 112.5 | V1387 E1388 R1393 L1394 | V1387-T1391 PolarHBondContact O-N 3.32Å; V1387-T1391 PolarHBondContact O-OG1 3.36Å; E1388-T1391 WeakPolarHBondContact CA-OG1 3.35Å; E1388-T1391 PolarHBondContact O-N 2.58Å; E1388-T1391 VanDerWaalsContact O-N 3.11Å; E1388-T1391 PolarHBondContact O-OG1 3Å; T1391-R1393 VanDerWaalsContact C-N 3.34Å; T1391-R1393 PolarHBondContact O-N 3.29Å; T1391-L1394 PolarHBondContact O-N 3.16Å |
| 1392 | D | 72.2 | Confident | 72.1 | Confident | 101 Ų | 101 | 114.1 Ų | 114.1 | 54% | 0.54 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.9 | -28.8 | 179.7 | -71 | -24.4 | 0 | 0 | 0 | 113.5 | E1388 L1394 T1396 | E1388-D1392 PolarHBondContact O-N 3.02Å; D1392-L1394 VanDerWaalsContact C-N 3.29Å; D1392-L1394 PolarHBondContact O-N 3.05Å; D1392-T1396 PolarHBondContact O-N 3.28Å; D1392-T1396 PolarHBondContact O-OG1 3.12Å |
| 1393 | R | 67.4 | Low | 72.2 | Confident | 193 Ų | 193 | 117.4 Ų | 117.4 | 73% | 0.728 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.5 | -20.4 | 175.3 | -75 | -179.7 | 66.7 | 173.2 | 2.6 | 114 | S1389 T1391 T1396 V1397 | S1389-R1393 WeakPolarHBondContact O-CD 3.45Å; S1389-R1393 VanDerWaalsContact O-CG 3.29Å; S1389-R1393 WeakPolarHBondContact O-CG 3.32Å; T1391-R1393 VanDerWaalsContact C-N 3.34Å; T1391-R1393 PolarHBondContact O-N 3.29Å; R1393-T1396 PolarHBondContact O-OG1 3.45Å; R1393-V1397 WeakPolarHBondContact O-CG2 3.49Å |
| 1394 | L | 71.8 | Confident | 72.3 | Confident | 120 Ų | 120 | 114.3 Ų | 114.3 | 63% | 0.628 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -80.3 | -47.5 | 174.7 | -79.9 | 161 | 0 | 0 | 0 | 111.1 | T1391 D1392 T1396 V1397 E1398 | T1391-L1394 PolarHBondContact O-N 3.16Å; D1392-L1394 VanDerWaalsContact C-N 3.29Å; D1392-L1394 PolarHBondContact O-N 3.05Å; L1394-T1396 VanDerWaalsContact C-N 3.27Å; L1394-T1396 PolarHBondContact O-N 3.36Å; L1394-V1397 WeakPolarHBondContact O-CB 3.17Å; L1394-V1397 PolarHBondContact O-N 3.38Å; L1394-E1398 PolarHBondContact O-N 2.91Å |
| 1395 | R | 70.6 | Confident | 72.2 | Confident | 175 Ų | 175 | 113.8 Ų | 113.8 | 66% | 0.66 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -56.2 | -40.3 | -179.8 | -137.7 | 177.6 | -163 | 157.8 | 3.1 | 112.9 | V1397 | R1395-V1397 VanDerWaalsContact C-N 3.27Å; R1395-V1397 PolarHBondContact O-N 2.88Å |
| 1396 | T | 70.2 | Confident | 72.4 | Confident | 71 Ų | 71 | 114.4 Ų | 114.4 | 44% | 0.436 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -75.4 | -7.4 | 179.5 | 46.1 | 0 | 0 | 0 | 0 | 114.8 | D1392 R1393 L1394 K1400 | D1392-T1396 PolarHBondContact O-N 3.28Å; D1392-T1396 PolarHBondContact O-OG1 3.12Å; R1393-T1396 PolarHBondContact O-OG1 3.45Å; L1394-T1396 VanDerWaalsContact C-N 3.27Å; L1394-T1396 PolarHBondContact O-N 3.36Å; T1396-K1400 WeakPolarHBondContact O-CD 3.39Å; T1396-K1400 WeakPolarHBondContact O-CG 3.43Å |
| 1397 | V | 73.8 | Confident | 72.5 | Confident | 88 Ų | 88 | 112 Ų | 112 | 53% | 0.533 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -89.9 | -43 | 172.4 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | R1393 L1394 R1395 E1399 K1400 V1401 | R1393-V1397 WeakPolarHBondContact O-CG2 3.49Å; L1394-V1397 WeakPolarHBondContact O-CB 3.17Å; L1394-V1397 PolarHBondContact O-N 3.38Å; R1395-V1397 VanDerWaalsContact C-N 3.27Å; R1395-V1397 PolarHBondContact O-N 2.88Å; V1397-E1399 PolarHBondContact O-N 3.41Å; V1397-K1400 PolarHBondContact O-N 2.84Å; V1397-K1400 VanDerWaalsContact O-N 3.16Å; V1397-V1401 PolarHBondContact O-N 2.86Å |
| 1398 | E | 74 | Confident | 72.3 | Confident | 134 Ų | 134 | 112.9 Ų | 112.9 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -57.5 | -50.7 | 179.3 | -66 | 178.9 | 142.4 | 0 | 0 | 111.5 | L1394 K1400 V1401 D1402 | L1394-E1398 PolarHBondContact O-N 2.91Å; E1398-K1400 PolarHBondContact O-N 3.26Å; E1398-K1400 VanDerWaalsContact O-N 3.08Å; E1398-V1401 PolarHBondContact O-N 3.12Å; E1398-D1402 PolarHBondContact O-N 2.94Å |
| 1399 | E | 75 | Confident | 72.1 | Confident | 121 Ų | 121 | 115.1 Ų | 115.1 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.4 | -24.3 | 178.6 | -66.9 | -174.3 | 171.1 | 0 | 0 | 114.7 | V1397 | V1397-E1399 PolarHBondContact O-N 3.41Å |
| 1400 | K | 72.4 | Confident | 71.8 | Confident | 150 Ų | 150 | 118.6 Ų | 118.6 | 65% | 0.652 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -83.5 | -28.9 | 178.9 | -73 | 178.4 | -178 | 171.9 | 0 | 112.2 | T1396 V1397 E1398 V1404 | T1396-K1400 WeakPolarHBondContact O-CD 3.39Å; T1396-K1400 WeakPolarHBondContact O-CG 3.43Å; V1397-K1400 PolarHBondContact O-N 2.84Å; V1397-K1400 VanDerWaalsContact O-N 3.16Å; E1398-K1400 PolarHBondContact O-N 3.26Å; E1398-K1400 VanDerWaalsContact O-N 3.08Å; K1400-V1404 WeakPolarHBondContact O-CG2 3.34Å |
| 1401 | V | 78.5 | Confident | 71.2 | Confident | 80 Ų | 80 | 117.8 Ų | 117.8 | 49% | 0.485 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.1 | -45.2 | 178.8 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | V1397 E1398 K1403 V1404 L1405 | V1397-V1401 PolarHBondContact O-N 2.86Å; E1398-V1401 PolarHBondContact O-N 3.12Å; V1401-K1403 VanDerWaalsContact C-N 3.32Å; V1401-K1403 PolarHBondContact O-N 2.89Å; V1401-V1404 PolarHBondContact O-N 3.38Å; V1401-V1404 VanDerWaalsContact O-N 3.11Å; V1401-L1405 HydrophobicContact CG1-CD1 4.2Å; V1401-L1405 PolarHBondContact O-N 3.04Å |
| 1402 | D | 75.7 | Confident | 70.5 | Confident | 114 Ų | 114 | 120.9 Ų | 120.9 | 61% | 0.61 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.7 | -36.3 | -179.3 | -75.9 | -24.4 | 0 | 0 | 0 | 113.1 | E1398 V1404 L1405 S1406 | E1398-D1402 PolarHBondContact O-N 2.94Å; D1402-V1404 VanDerWaalsContact C-N 3.29Å; D1402-V1404 PolarHBondContact O-N 3.17Å; D1402-L1405 PolarHBondContact O-N 2.89Å; D1402-S1406 PolarHBondContact O-N 2.99Å |
| 1403 | K | 70.8 | Confident | 69.7 | Low | 145 Ų | 145 | 120.3 Ų | 120.3 | 63% | 0.63 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.9 | -24.8 | 176.1 | -79.3 | 173.7 | 178 | 162.2 | 0 | 113.9 | V1401 S1406 | V1401-K1403 VanDerWaalsContact C-N 3.32Å; V1401-K1403 PolarHBondContact O-N 2.89Å; K1403-S1406 PolarHBondContact O-OG 2.78Å |
| 1404 | V | 70.7 | Confident | 69 | Low | 86 Ų | 86 | 119.7 Ų | 119.7 | 52% | 0.521 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -81.3 | -37.5 | 176.6 | 174 | 0 | 0 | 0 | 0 | 110.8 | K1400 V1401 D1402 S1406 L1407 I1408 | K1400-V1404 WeakPolarHBondContact O-CG2 3.34Å; V1401-V1404 PolarHBondContact O-N 3.38Å; V1401-V1404 VanDerWaalsContact O-N 3.11Å; D1402-V1404 VanDerWaalsContact C-N 3.29Å; D1402-V1404 PolarHBondContact O-N 3.17Å; V1404-S1406 VanDerWaalsContact C-N 3.35Å; V1404-S1406 PolarHBondContact O-N 3.17Å; V1404-L1407 PolarHBondContact O-N 3.01Å; V1404-I1408 HydrophobicContact CG1-CD1 3.93Å; V1404-I1408 WeakPolarHBondContact O-CG1 3.36Å; V1404-I1408 PolarHBondContact O-N 3.23Å |
| 1405 | L | 71.6 | Confident | 67.7 | Low | 100 Ų | 100 | 124 Ų | 124 | 52% | 0.524 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.1 | -30.2 | -179.4 | -100.2 | 151.7 | 0 | 0 | 0 | 114.1 | V1401 D1402 | V1401-L1405 HydrophobicContact CG1-CD1 4.2Å; V1401-L1405 PolarHBondContact O-N 3.04Å; D1402-L1405 PolarHBondContact O-N 2.89Å |
| 1406 | S | 74.2 | Confident | 66.1 | Low | 67 Ų | 67 | 121 Ų | 121 | 47% | 0.469 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73.2 | -46.3 | 175.9 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | D1402 K1403 V1404 I1408 K1409 E1410 | D1402-S1406 PolarHBondContact O-N 2.99Å; K1403-S1406 PolarHBondContact O-OG 2.78Å; V1404-S1406 VanDerWaalsContact C-N 3.35Å; V1404-S1406 PolarHBondContact O-N 3.17Å; S1406-I1408 VanDerWaalsContact C-N 3.31Å; S1406-I1408 PolarHBondContact O-N 3.38Å; S1406-K1409 PolarHBondContact O-N 3.39Å; S1406-K1409 VanDerWaalsContact O-N 3.11Å; S1406-E1410 PolarHBondContact O-N 3.06Å |
| 1407 | L | 69.7 | Low | 64.5 | Low | 101 Ų | 101 | 127 Ų | 127 | 53% | 0.529 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -60.9 | -35.9 | -179.6 | -77.1 | 165.3 | 0 | 0 | 0 | 113.2 | V1404 K1409 E1410 L1411 | V1404-L1407 PolarHBondContact O-N 3.01Å; L1407-K1409 VanDerWaalsContact C-N 3.28Å; L1407-K1409 PolarHBondContact O-N 3.01Å; L1407-E1410 PolarHBondContact O-N 2.92Å; L1407-L1411 WeakPolarHBondContact O-CG 3.13Å; L1407-L1411 PolarHBondContact O-N 3.42Å |
| 1408 | I | 71.8 | Confident | 62.7 | Low | 98 Ų | 98 | 128.1 Ų | 128.1 | 50% | 0.503 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -64 | -33.3 | 177.4 | -68 | 167.7 | 0 | 0 | 0 | 111.7 | V1404 S1406 | V1404-I1408 HydrophobicContact CG1-CD1 3.93Å; V1404-I1408 WeakPolarHBondContact O-CG1 3.36Å; V1404-I1408 PolarHBondContact O-N 3.23Å; S1406-I1408 VanDerWaalsContact C-N 3.31Å; S1406-I1408 PolarHBondContact O-N 3.38Å |
| 1409 | K | 65.9 | Low | 60.7 | Low | 171 Ų | 171 | 130.4 Ų | 130.4 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -75 | -35.2 | 179.8 | -78.6 | 179.4 | 174 | 175.2 | 0 | 113.2 | S1406 L1407 | S1406-K1409 PolarHBondContact O-N 3.39Å; S1406-K1409 VanDerWaalsContact O-N 3.11Å; L1407-K1409 VanDerWaalsContact C-N 3.28Å; L1407-K1409 PolarHBondContact O-N 3.01Å |
| 1410 | E | 65.9 | Low | 58.7 | Low | 137 Ų | 137 | 132.5 Ų | 132.5 | 64% | 0.64 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.3 | -37.8 | 179.2 | -72.7 | -168.5 | 120.3 | 0 | 0 | 112.8 | S1406 L1407 N1412 S1413 | S1406-E1410 PolarHBondContact O-N 3.06Å; L1407-E1410 PolarHBondContact O-N 2.92Å; E1410-N1412 PolarHBondContact O-N 2.91Å; E1410-S1413 PolarHBondContact O-OG 3.18Å |
| 1411 | L | 59.5 | Low | 56.8 | Low | 136 Ų | 136 | 130.7 Ų | 130.7 | 71% | 0.712 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70.9 | -28.8 | -172.3 | -72.9 | 169.6 | 0 | 0 | 0 | 114.7 | L1407 S1413 | L1407-L1411 WeakPolarHBondContact O-CG 3.13Å; L1407-L1411 PolarHBondContact O-N 3.42Å; L1411-S1413 PolarHBondContact O-N 3.13Å |
| 1412 | N | 58.9 | Low | 54.6 | Low | 150 Ų | 150 | 135.6 Ų | 135.6 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -4.2 | -178.3 | -86.5 | -13.1 | 0 | 0 | 0 | 114.9 | E1410 | E1410-N1412 PolarHBondContact O-N 2.91Š|
| 1413 | S | 55.7 | Low | 52.5 | Low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -4 | -169 | 66.1 | 0 | 0 | 0 | 0 | 116.3 | E1410 L1411 | E1410-S1413 PolarHBondContact O-OG 3.18Å; L1411-S1413 PolarHBondContact O-N 3.13Å |
| 1414 | K | 53.2 | Low | 50.6 | Low | 181 Ų | 181 | 138.7 Ų | 138.7 | 79% | 0.787 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -129.9 | -0.4 | -155.9 | -92.5 | -178.8 | 178.8 | 175.1 | 0 | 119.8 | ||
| 1415 | K | 44.4 | Very low | 48.6 | Very low | 210 Ų | 210 | 140.2 Ų | 140.2 | 91% | 0.913 | 73% | 0.727 | S | S | * | * | trans | -135.5 | 101.4 | -173.8 | -79.2 | -171.5 | 172.9 | -177.6 | 0 | 115.9 | ||||
| 1416 | S | 37.3 | Very low | 46.4 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | -149.7 | 76.4 | 164.5 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1417 | Q | 35.8 | Very low | 44.9 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -178.3 | 151 | 157.3 | -104.4 | 164.7 | 11.6 | 0 | 0 | 110.6 | ||||
| 1418 | P | 36.2 | Very low | 43.5 | Very low | 112 Ų | 112 | 152.5 Ų | 152.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -113.7 | 146.9 | -175 | 38.9 | -28.8 | 0 | 0 | 0 | 114.7 | ||||
| 1419 | E | 32.4 | Very low | 41.4 | Very low | 181 Ų | 181 | 156.6 Ų | 156.6 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | 171 | 157.6 | 142.1 | -99.4 | 166.1 | -177.9 | 0 | 0 | 114.5 | ||||
| 1420 | E | 33 | Very low | 40 | Very low | 165 Ų | 165 | 155.5 Ų | 155.5 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | trans | 65.2 | 114.8 | 152.4 | -68.9 | -175.9 | 161.9 | 0 | 0 | 126.4 | ||||
| 1421 | T | 32.5 | Very low | 38.8 | Very low | 113 Ų | 113 | 155.2 Ų | 155.2 | 69% | 0.693 | 80% | 0.803 | S | S | * | * | trans | 60.4 | 125 | 133.9 | 62.2 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1422 | H | 31.4 | Very low | 37.5 | Very low | 182 Ų | 182 | 153.7 Ų | 153.7 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | 28.8 | 151.3 | 145.6 | -60.3 | -66.5 | 0 | 0 | 0 | 123.2 | ||||
| 1423 | P | 32.4 | Very low | 36.4 | Very low | 124 Ų | 124 | 153.7 Ų | 153.7 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | cis | -136.1 | -164.4 | 9.4 | 39.6 | -17.3 | 0 | 0 | 0 | 116.5 | ||||
| 1424 | K | 30.2 | Very low | 35.2 | Very low | 200 Ų | 200 | 155.5 Ų | 155.5 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | trans | -47.5 | 152.4 | 177.5 | -64.6 | 171.9 | -179.2 | 173.8 | 0 | 115 | ||||
| 1425 | P | 28.8 | Very low | 34.4 | Very low | 119 Ų | 119 | 152.3 Ų | 152.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | -151 | 167.5 | 55 | 41.4 | -20.4 | 0 | 0 | 0 | 120.6 | |||||
| 1426 | Q | 25.9 | Very low | 33.6 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 35.4 | 117.4 | 153.5 | -74.3 | 179.6 | -20.5 | 0 | 0 | 124 | ||||
| 1427 | T | 41.3 | Very low | 32.9 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 58 | 136.5 | 137.4 | 55.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1428 | R | 40.6 | Very low | 32.3 | Very low | 221 Ų | 221 | 148.6 Ų | 148.6 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | cis | -171.3 | 87.6 | -19.5 | -166.3 | -179 | -166.6 | 177.5 | 3.6 | 109.9 | ||||
| 1429 | M | 27.7 | Very low | 31.8 | Very low | 184 Ų | 184 | 154.5 Ų | 154.5 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -149.7 | 117.7 | 174.4 | -85.1 | -177.3 | 178.6 | 0 | 0 | 110.9 | ||||
| 1430 | D | 36.9 | Very low | 31.6 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -115.3 | 117.6 | -173.6 | -54 | -53.2 | 0 | 0 | 0 | 110.5 | ||||
| 1431 | P | 40.1 | Very low | 31.3 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -118.5 | 101.2 | 168.1 | 33 | -18.9 | 0 | 0 | 0 | 111.5 | ||||
| 1432 | S | 33.5 | Very low | 31.3 | Very low | 103 Ų | 103 | 152.1 Ų | 152.1 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | -136 | 119 | 169 | 60.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1433 | L | 34.7 | Very low | 31.1 | Very low | 151 Ų | 151 | 148.3 Ų | 148.3 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | 72.2 | 104.5 | 82.5 | -158.8 | 83.4 | 0 | 0 | 0 | 112.1 | S1435 | L1433-S1435 PolarHBondContact O-N 3.22Š| |||
| 1434 | D | 31.6 | Very low | 30.8 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | trans | 34.9 | 75.7 | 145.4 | -58 | -57.6 | 0 | 0 | 0 | 119.2 | ||||
| 1435 | S | 35.8 | Very low | 30.7 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -153.2 | 101 | 137.4 | 64.2 | 0 | 0 | 0 | 0 | 110.5 | L1433 | L1433-S1435 PolarHBondContact O-N 3.22Š| ||
| 1436 | R | 26.9 | Very low | 30.6 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | cis | 51.9 | 115.8 | 15.5 | -99.2 | -158.9 | 104.2 | -175 | -0.2 | 115.6 | ||||
| 1437 | L | 23.1 | Very low | 30.8 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 58% | 0.581 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 70.7 | 145.9 | 165.2 | -68.2 | 84.6 | 0 | 0 | 0 | 117.5 | ||
| 1438 | E | 23.4 | Very low | 30 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | trans | 60.9 | 73.5 | 144.5 | -68.5 | 164.3 | -158 | 0 | 0 | 118.8 | ||||
| 1439 | R | 25.2 | Very low | 29.4 | Very low | 237 Ų | 237 | 142.5 Ų | 142.5 | 89% | 0.894 | 73% | 0.729 | S | S | * | * | -173.4 | 105.7 | 104.7 | -96.5 | 157.2 | -76.7 | -166.3 | -1.3 | 109.1 | |||||
| 1440 | I | 27.5 | Very low | 29.3 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 63% | 0.631 | 72% | 0.715 | S | S | * | * | cis | 54.7 | 106.4 | 30.5 | -79.1 | 178.2 | 0 | 0 | 0 | 110.7 | ||||
| 1441 | L | 28.6 | Very low | 28.9 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | 76.9 | 155.5 | 152.9 | -64.3 | 168.2 | 0 | 0 | 0 | 121.1 | ||||
| 1442 | I | 31.2 | Very low | 28.5 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | trans | 77.4 | 84.6 | 164.2 | -55.3 | 122.8 | 0 | 0 | 0 | 114.8 | ||||
| 1443 | T | 28.3 | Very low | 28.3 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | 79 | 148 | 53.6 | 76.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1444 | K | 25.4 | Very low | 27.9 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | trans | 84.1 | 145 | 161 | -61 | 177.7 | 159.5 | -156.8 | 0 | 117.1 | ||||
| 1445 | E | 28.1 | Very low | 27.7 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 53% | 0.533 | 72% | 0.719 | S | S | . | * | cis | -165.2 | 138.1 | -11.7 | -114.1 | 172.1 | 131.4 | 0 | 0 | 111.5 | ||||
| 1446 | K | 25.8 | Very low | 27.4 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 74% | 0.735 | 72% | 0.719 | S | S | * | * | trans | 61.4 | 179.1 | 137.2 | -67.4 | 171.2 | 178.4 | 165.4 | 0 | 118.8 | ||||
| 1447 | P | 30 | Very low | 27.4 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | -143.3 | -176.3 | -67.3 | 44.5 | -28.3 | 0 | 0 | 0 | 115.5 | |||||
| 1448 | S | 26.4 | Very low | 27.6 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | trans | 72.9 | 159.2 | 148.2 | 79.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1449 | K | 27.3 | Very low | 27.9 | Very low | 192 Ų | 192 | 147.2 Ų | 147.2 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | cis | -168.4 | 169.7 | 9.6 | -126.3 | 154.4 | -171.8 | 179.2 | 0 | 108 | ||||
| 1450 | V | 24.9 | Very low | 28.3 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 63% | 0.63 | 73% | 0.731 | S | S | * | * | cis | -179.7 | 163.4 | -49.6 | 115.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1451 | Y | 29 | Very low | 28.4 | Very low | 222 Ų | 222 | 143.9 Ų | 143.9 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | trans | 81.7 | 153.3 | 169.9 | -72.9 | -44.4 | 0 | 0 | 0 | 119 | ||||
| 1452 | S | 31.3 | Very low | 28.8 | Very low | 93 Ų | 93 | 144.1 Ų | 144.1 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | cis | -161.4 | 150.2 | 12.1 | 46.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1453 | R | 29.4 | Very low | 28.9 | Very low | 233 Ų | 233 | 143 Ų | 143 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | trans | 56.9 | 154.3 | 133.7 | -70.4 | 179.6 | 172 | 168.4 | -3.3 | 122.3 | ||||
| 1454 | S | 27.3 | Very low | 29.2 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | cis | -179.1 | 148.2 | -19.1 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1455 | K | 27.6 | Very low | 29.7 | Very low | 205 Ų | 205 | 142.2 Ų | 142.2 | 89% | 0.891 | 73% | 0.734 | S | S | * | * | trans | 65.9 | 151.9 | 156.6 | -65.9 | 176.2 | 178.2 | -174.4 | 0 | 117.1 | ||||
| 1456 | S | 29.2 | Very low | 29.7 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | cis | -144.8 | 174.8 | 23.4 | 52.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1457 | S | 26.8 | Very low | 30.1 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | -52.2 | 167.9 | 179.5 | 56.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1458 | E | 27.5 | Very low | 30.2 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | cis | -148.7 | 174.9 | 26.6 | -69.4 | -177.4 | 148.6 | 0 | 0 | 114.4 | ||||
| 1459 | Q | 28.9 | Very low | 30.4 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | 74.9 | 135.6 | 167 | -54.9 | -167.5 | 8.8 | 0 | 0 | 119.7 | M1461 | Q1459-M1461 PolarHBondContact O-N 3.21Š| ||
| 1460 | P | 34.3 | Very low | 30.9 | Very low | 122 Ų | 122 | 144 Ų | 144 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -84.9 | 108.5 | 179.2 | 33 | -32.4 | 0 | 0 | 0 | 112.1 | ||||
| 1461 | M | 30.1 | Very low | 31.9 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 82% | 0.823 | 76% | 0.755 | S | S | * | * | trans | -77.1 | 122.3 | 172.6 | -79.6 | -157.3 | -74.1 | 0 | 0 | 112.2 | Q1459 K1463 | Q1459-M1461 PolarHBondContact O-N 3.21Å; M1461-K1463 PolarHBondContact O-N 3.41Å | ||
| 1462 | I | 35.6 | Very low | 32.8 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -82.3 | 98.3 | 161.8 | -59.4 | 170.4 | 0 | 0 | 0 | 107.3 | L1464 | I1462-L1464 HydrophobicContact CG2-CD1 4.25Å; I1462-L1464 PolarHBondContact O-N 2.86Å | ||
| 1463 | K | 33.1 | Very low | 33.9 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 51% | 0.513 | 73% | 0.726 | S | S | . | * | trans | -80.6 | 91.3 | 167 | -89.3 | -171.4 | 171.4 | -173.1 | 0 | 110.2 | M1461 V1465 E1524 | M1461-K1463 PolarHBondContact O-N 3.41Å; K1463-V1465 PolarHBondContact O-N 3.07Å; K1463-E1524 VanDerWaalsContact CD-OE2 3.23Å; K1463-E1524 WeakPolarHBondContact CD-OE2 3.36Å; K1463-E1524 IonicContact NZ-OE1 3.9Å; K1463-E1524 PolarHBondContact NZ-OE1 3.35Å; K1463-E1524 IonicContact NZ-OE2 3.21Å; K1463-E1524 PolarHBondContact NZ-OE2 3.04Å | ||
| 1464 | L | 34.8 | Very low | 35.1 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | trans | -75 | 96.9 | 160.6 | -104.1 | 145.5 | 0 | 0 | 0 | 108.3 | I1462 Q1466 | I1462-L1464 HydrophobicContact CG2-CD1 4.25Å; I1462-L1464 PolarHBondContact O-N 2.86Å; L1464-Q1466 PolarHBondContact O-N 3.32Å | ||
| 1465 | V | 35.4 | Very low | 36.7 | Very low | 112 Ų | 112 | 126 Ų | 126 | 68% | 0.679 | 69% | 0.691 | S | S | * | * | trans | -75.2 | 96.8 | 174.6 | -178 | 0 | 0 | 0 | 0 | 108.7 | K1463 G1467 | K1463-V1465 PolarHBondContact O-N 3.07Å; V1465-G1467 VanDerWaalsContact C-N 3.28Å; V1465-G1467 PolarHBondContact O-N 3.08Å | ||
| 1466 | Q | 29.7 | Very low | 38.3 | Very low | 194 Ų | 194 | 119.6 Ų | 119.6 | 91% | 0.907 | 66% | 0.663 | S | S | * | * | trans | -73.6 | 83.5 | 169.3 | -72 | -177.2 | -25.3 | 0 | 0 | 109.5 | L1464 | L1464-Q1466 PolarHBondContact O-N 3.32Š| ||
| 1467 | G | 33.6 | Very low | 39.7 | Very low | 60 Ų | 60 | 120 Ų | 120 | 62% | 0.619 | 65% | 0.652 | S | S | * | * | trans | -101 | 142.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1465 K1469 | V1465-G1467 VanDerWaalsContact C-N 3.28Å; V1465-G1467 PolarHBondContact O-N 3.08Å; G1467-K1469 PolarHBondContact O-N 2.78Å | ||
| 1468 | T | 33.1 | Very low | 41.1 | Very low | 142 Ų | 142 | 121.1 Ų | 121.1 | 87% | 0.871 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -63.6 | 118.5 | -172.4 | 38 | 0 | 0 | 0 | 0 | 114.4 | S1470 | T1468-S1470 PolarHBondContact O-N 3.09Š|
| 1469 | K | 30.3 | Very low | 42.8 | Very low | 205 Ų | 205 | 116.8 Ų | 116.8 | 89% | 0.891 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 43.8 | 63 | 157.3 | -65.6 | -174.3 | 176.8 | 179.6 | 0 | 117.8 | G1467 | G1467-K1469 PolarHBondContact O-N 2.78Š|
| 1470 | S | 36.7 | Very low | 44.4 | Very low | 110 Ų | 110 | 112.4 Ų | 112.4 | 77% | 0.769 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 166.8 | 144.6 | 130.7 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | T1468 | T1468-S1470 PolarHBondContact O-N 3.09Š|
| 1471 | S | 46.7 | Very low | 46 | Very low | 65 Ų | 65 | 107.8 Ų | 107.8 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | trans | 61.1 | 103.6 | -174 | 65.9 | 0 | 0 | 0 | 0 | 116.1 | L1473 | S1471-L1473 PolarHBondContact O-N 3.31Š| ||
| 1472 | Q | 47.8 | Very low | 47.8 | Very low | 139 Ų | 139 | 101.4 Ų | 101.4 | 65% | 0.65 | 57% | 0.568 | S | S | * | * | trans | -85.2 | 99 | 169.9 | -69.6 | 179.1 | -17 | 0 | 0 | 109.7 | ||||
| 1473 | L | 54.3 | Low | 49.5 | Very low | 52 Ų | 52 | 94.3 Ų | 94.3 | 27% | 0.272 | 53% | 0.531 | S | S | . | . | trans | -97.2 | 102.3 | 179.7 | -159.9 | 150.6 | 0 | 0 | 0 | 110 | S1471 V1475 A1484 F1486 I1523 | S1471-L1473 PolarHBondContact O-N 3.31Å; L1473-V1475 HydrophobicContact CD2-CG2 3.78Å; L1473-V1475 PolarHBondContact O-N 2.96Å; L1473-A1484 HydrophobicContact CD2-CB 3.74Å; L1473-F1486 HydrophobicContact CD1-CD2 3.93Å; L1473-F1486 HydrophobicContact CD1-CE2 4.12Å; L1473-I1523 HydrophobicContact CD1-CG1 4.34Å; L1473-I1523 HydrophobicContact CD2-CD1 4.26Å; L1473-I1523 HydrophobicContact CD2-CG1 3.98Å; L1473-I1523 HydrophobicContact CD2-CG2 4.21Å | ||
| 1474 | A | 55.3 | Low | 51.1 | Low | 49 Ų | 49 | 88.8 Ų | 88.8 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | trans | -85.1 | 110.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F1476 A1484 | A1474-F1476 HydrophobicContact CB-CD2 4.43Å; A1474-F1476 HydrophobicContact CB-CE2 3.6Å; A1474-F1476 HydrophobicContact CB-CZ 4.01Å; A1474-A1484 WeakPolarHBondContact O-CA 3.34Å | ||
| 1475 | V | 59.8 | Low | 52.4 | Low | 59 Ų | 59 | 82.8 Ų | 82.8 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.2 | 174.2 | -169.9 | 0 | 0 | 0 | 0 | 109.1 | L1473 I1523 | L1473-V1475 HydrophobicContact CD2-CG2 3.78Å; L1473-V1475 PolarHBondContact O-N 2.96Å; V1475-I1523 HydrophobicContact CB-CG2 4.5Å; V1475-I1523 HydrophobicContact CG1-CG2 4.17Å; V1475-I1523 HydrophobicContact CG2-CG2 3.48Å; V1475-I1523 VanDerWaalsContact CG2-CG2 3.48Å |
| 1476 | F | 60.9 | Low | 53.7 | Low | 69 Ų | 69 | 78.6 Ų | 78.6 | 30% | 0.303 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.4 | 176.3 | -60.8 | -94.5 | 0 | 0 | 0 | 109.3 | A1474 K1482 Y1483 | A1474-F1476 HydrophobicContact CB-CD2 4.43Å; A1474-F1476 HydrophobicContact CB-CE2 3.6Å; A1474-F1476 HydrophobicContact CB-CZ 4.01Å; F1476-K1482 WeakPolarHBondContact O-CA 3.39Å; F1476-Y1483 HydrophobicContact CB-CD1 4.01Å; F1476-Y1483 HydrophobicContact CB-CD2 4.1Å; F1476-Y1483 HydrophobicContact CB-CE1 3.47Å; F1476-Y1483 VanDerWaalsContact CB-CE1 3.47Å; F1476-Y1483 HydrophobicContact CB-CE2 3.56Å; F1476-Y1483 HydrophobicContact CB-CG 4.3Å; F1476-Y1483 WeakPolarHBondContact CB-OH 3.39Å; F1476-Y1483 HydrophobicContact CD1-CE2 4.46Å; F1476-Y1483 AromaticContact CD2-CD2 3.87Å; F1476-Y1483 HydrophobicContact CD2-CD2 3.87Å; F1476-Y1483 AromaticContact CD2-CE2 3.24Å; F1476-Y1483 HydrophobicContact CD2-CE2 3.24Å; F1476-Y1483 AromaticContact CD2-CZ 3.75Å; F1476-Y1483 AromaticContact CE2-CE2 4Å; F1476-Y1483 HydrophobicContact CE2-CE2 4Å; F1476-Y1483 HydrophobicContact CG-CD2 4.33Å; F1476-Y1483 HydrophobicContact CG-CE1 4.26Å; F1476-Y1483 AromaticContact CG-CE2 3.52Å; F1476-Y1483 HydrophobicContact CG-CE2 3.52Å; F1476-Y1483 AromaticContact CG-CZ 3.47Å; F1476-Y1483 VanDerWaalsContact CG-CZ 3.47Å; F1476-Y1483 WeakPolarHBondContact CG-OH 3.3Å; F1476-Y1483 PolarHBondContact N-O 3.18Å; F1476-Y1483 PolarHBondContact O-N 3.43Å; F1476-Y1483 VanDerWaalsContact O-N 3.12Å |
| 1477 | E | 59.8 | Low | 54.8 | Low | 123 Ų | 123 | 71.7 Ų | 71.7 | 58% | 0.575 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.1 | 179.3 | -177.6 | 162.9 | -151.6 | 0 | 0 | 109.5 | K1482 | E1477-K1482 HydrophobicContact CB-CG 4.47Å; E1477-K1482 VanDerWaalsContact CD-CE 3.49Å; E1477-K1482 HydrophobicContact CG-CG 4.21Å; E1477-K1482 WeakPolarHBondContact OE1-CE 3.37Å; E1477-K1482 IonicContact OE1-NZ 3.07Å |
| 1478 | K | 55.8 | Low | 55.8 | Low | 125 Ų | 125 | 69 Ų | 69 | 54% | 0.543 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 111.1 | 173 | -170 | -171.5 | 172.8 | -155.7 | 0 | 109.7 | S1480 H1481 I1643 | K1478-S1480 PolarHBondContact O-N 3.4Å; K1478-H1481 PolarHBondContact N-O 3.23Å; K1478-H1481 VanDerWaalsContact N-O 3.07Å; K1478-H1481 PolarHBondContact O-N 2.65Å; K1478-I1643 HydrophobicContact CB-CD1 4.07Å; K1478-I1643 HydrophobicContact CD-CD1 3.57Å; K1478-I1643 HydrophobicContact CD-CG1 3.63Å; K1478-I1643 HydrophobicContact CD-CG2 4.49Å; K1478-I1643 HydrophobicContact CG-CD1 4.45Å |
| 1479 | G | 62.8 | Low | 56.4 | Low | 75 Ų | 75 | 65 Ų | 65 | 77% | 0.773 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -117.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1480 | S | 63.2 | Low | 57.3 | Low | 79 Ų | 79 | 58.3 Ų | 58.3 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 8 | 179 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | K1478 | K1478-S1480 PolarHBondContact O-N 3.4Š|
| 1481 | H | 66.7 | Low | 58 | Low | 26 Ų | 26 | 57 Ų | 57 | 12% | 0.12 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.1 | 175 | -65.6 | -79 | 0 | 0 | 0 | 110.6 | K1478 P1628 C1636 | K1478-H1481 PolarHBondContact N-O 3.23Å; K1478-H1481 VanDerWaalsContact N-O 3.07Å; K1478-H1481 PolarHBondContact O-N 2.65Å; H1481-P1628 WeakPolarHBondContact CE1-CD 3.49Å; H1481-P1628 WeakPolarHBondContact CE1-CG 3.25Å; H1481-P1628 VanDerWaalsContact ND1-CD 3.25Å; H1481-P1628 WeakPolarHBondContact ND1-CD 3.37Å; H1481-C1636 PolarHBondContact CE1-SG 3.34Å |
| 1482 | K | 69.1 | Low | 58.3 | Low | 32 Ų | 32 | 54.6 Ų | 54.6 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.1 | 168.6 | -62.4 | -173.9 | 178.3 | -173.9 | 0 | 109.8 | F1476 E1477 G1525 Q1626 | F1476-K1482 WeakPolarHBondContact O-CA 3.39Å; E1477-K1482 HydrophobicContact CB-CG 4.47Å; E1477-K1482 VanDerWaalsContact CD-CE 3.49Å; E1477-K1482 HydrophobicContact CG-CG 4.21Å; E1477-K1482 WeakPolarHBondContact OE1-CE 3.37Å; E1477-K1482 IonicContact OE1-NZ 3.07Å; K1482-G1525 PolarHBondContact NZ-O 3.29Å; K1482-Q1626 HydrophobicContact CB-CB 4.15Å; K1482-Q1626 PolarHBondContact O-N 3.23Å |
| 1483 | Y | 71.5 | Confident | 58.7 | Low | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 150.8 | 168.3 | 65.3 | -89.3 | 0 | 0 | 0 | 110.2 | F1476 L1624 I1640 I1643 L1644 | F1476-Y1483 HydrophobicContact CB-CD1 4.01Å; F1476-Y1483 HydrophobicContact CB-CD2 4.1Å; F1476-Y1483 HydrophobicContact CB-CE1 3.47Å; F1476-Y1483 VanDerWaalsContact CB-CE1 3.47Å; F1476-Y1483 HydrophobicContact CB-CE2 3.56Å; F1476-Y1483 HydrophobicContact CB-CG 4.3Å; F1476-Y1483 WeakPolarHBondContact CB-OH 3.39Å; F1476-Y1483 HydrophobicContact CD1-CE2 4.46Å; F1476-Y1483 AromaticContact CD2-CD2 3.87Å; F1476-Y1483 HydrophobicContact CD2-CD2 3.87Å; F1476-Y1483 AromaticContact CD2-CE2 3.24Å; F1476-Y1483 HydrophobicContact CD2-CE2 3.24Å; F1476-Y1483 AromaticContact CD2-CZ 3.75Å; F1476-Y1483 AromaticContact CE2-CE2 4Å; F1476-Y1483 HydrophobicContact CE2-CE2 4Å; F1476-Y1483 HydrophobicContact CG-CD2 4.33Å; F1476-Y1483 HydrophobicContact CG-CE1 4.26Å; F1476-Y1483 AromaticContact CG-CE2 3.52Å; F1476-Y1483 HydrophobicContact CG-CE2 3.52Å; F1476-Y1483 AromaticContact CG-CZ 3.47Å; F1476-Y1483 VanDerWaalsContact CG-CZ 3.47Å; F1476-Y1483 WeakPolarHBondContact CG-OH 3.3Å; F1476-Y1483 PolarHBondContact N-O 3.18Å; F1476-Y1483 PolarHBondContact O-N 3.43Å; F1476-Y1483 VanDerWaalsContact O-N 3.12Å; Y1483-L1624 WeakPolarHBondContact CA-O 3.37Å; Y1483-I1640 HydrophobicContact CD1-CG1 4.31Å; Y1483-I1640 HydrophobicContact CD1-CG2 3.92Å; Y1483-I1640 HydrophobicContact CD2-CG2 4.35Å; Y1483-I1640 HydrophobicContact CE1-CG2 4.21Å; Y1483-I1640 HydrophobicContact CG-CG2 3.99Å; Y1483-I1643 HydrophobicContact CE1-CB 4.22Å; Y1483-I1643 HydrophobicContact CE1-CD1 4.5Å; Y1483-I1643 HydrophobicContact CE1-CG2 4.05Å; Y1483-I1643 VanDerWaalsContact OH-CG2 3.32Å; Y1483-I1643 WeakPolarHBondContact OH-CG2 3.19Å; Y1483-L1644 HydrophobicContact CE2-CB 4.39Å; Y1483-L1644 HydrophobicContact CE2-CD1 4.15Å; Y1483-L1644 PolarHBondContact OH-N 3.47Å |
| 1484 | A | 65.4 | Low | 59.1 | Low | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.017 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1473 A1474 F1486 I1523 W1526 L1624 | L1473-A1484 HydrophobicContact CD2-CB 3.74Å; A1474-A1484 WeakPolarHBondContact O-CA 3.34Å; A1484-F1486 PolarHBondContact O-N 3.41Å; A1484-I1523 HydrophobicContact CB-CD1 4.32Å; A1484-W1526 HydrophobicContact CB-CH2 4.43Å; A1484-W1526 HydrophobicContact CB-CZ3 3.66Å; A1484-L1624 PolarHBondContact N-O 3.45Å; A1484-L1624 VanDerWaalsContact N-O 3.12Å; A1484-L1624 PolarHBondContact O-N 3.38Å; A1484-L1624 VanDerWaalsContact O-N 3.13Å |
| 1485 | G | 62.7 | Low | 59.4 | Low | 19 Ų | 19 | 55.4 Ų | 55.4 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | trans | -75.6 | 115.5 | 164 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1486 | F | 61.9 | Low | 59.6 | Low | 24 Ų | 24 | 54.8 Ų | 54.8 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | trans | -86.7 | 122.6 | 171.6 | -159.1 | -109.6 | 0 | 0 | 0 | 108.5 | L1473 A1484 P1488 Y1521 W1622 L1624 | L1473-F1486 HydrophobicContact CD1-CD2 3.93Å; L1473-F1486 HydrophobicContact CD1-CE2 4.12Å; A1484-F1486 PolarHBondContact O-N 3.41Å; F1486-P1488 VanDerWaalsContact C-CD 3.48Å; F1486-P1488 HydrophobicContact CD1-CB 3.86Å; F1486-P1488 HydrophobicContact CD1-CG 4.24Å; F1486-P1488 HydrophobicContact CE1-CB 3.76Å; F1486-P1488 WeakPolarHBondContact O-CD 3.33Å; F1486-Y1521 HydrophobicContact CE2-CD2 4.09Å; F1486-Y1521 HydrophobicContact CE2-CG 4.39Å; F1486-Y1521 AromaticContact CZ-CD2 3.92Å; F1486-Y1521 HydrophobicContact CZ-CD2 3.92Å; F1486-Y1521 HydrophobicContact CZ-CE2 4.21Å; F1486-W1622 HydrophobicContact CB-CH2 4.04Å; F1486-W1622 HydrophobicContact CB-CZ2 4.11Å; F1486-W1622 AromaticContact CD1-CH2 3.89Å; F1486-W1622 HydrophobicContact CD1-CH2 3.89Å; F1486-W1622 AromaticContact CD1-CZ2 3.82Å; F1486-W1622 HydrophobicContact CD1-CZ2 3.82Å; F1486-W1622 HydrophobicContact CG-CH2 4.27Å; F1486-W1622 HydrophobicContact CG-CZ2 4.4Å; F1486-L1624 HydrophobicContact CB-CD1 4.42Å | ||
| 1487 | V | 54.6 | Low | 59.7 | Low | 48 Ų | 48 | 52.5 Ų | 52.5 | 29% | 0.291 | 30% | 0.3 | S | S | . | . | trans | -106.6 | 84.4 | 171.7 | -171.9 | 0 | 0 | 0 | 0 | 107 | P1489 I1722 | V1487-P1489 WeakPolarHBondContact O-CD 3.4Å; V1487-I1722 HydrophobicContact CB-CD1 4.3Å; V1487-I1722 HydrophobicContact CG1-CD1 3.64Å; V1487-I1722 HydrophobicContact CG1-CG1 4.15Å; V1487-I1722 HydrophobicContact CG2-CD1 3.68Å | ||
| 1488 | P | 52.5 | Low | 60 | Low | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | trans | -63.7 | 125.8 | -175.5 | 23.9 | -32.8 | 0 | 0 | 0 | 110.2 | F1486 D1492 W1622 | F1486-P1488 VanDerWaalsContact C-CD 3.48Å; F1486-P1488 HydrophobicContact CD1-CB 3.86Å; F1486-P1488 HydrophobicContact CD1-CG 4.24Å; F1486-P1488 HydrophobicContact CE1-CB 3.76Å; F1486-P1488 WeakPolarHBondContact O-CD 3.33Å; P1488-D1492 WeakPolarHBondContact CB-OD2 3.5Å; P1488-W1622 HydrophobicContact CG-CZ2 4.36Å | ||
| 1489 | P | 47.7 | Very low | 60.1 | Low | 58 Ų | 58 | 46 Ų | 46 | 38% | 0.377 | 28% | 0.278 | S | S | . | . | trans | -59.8 | 138.5 | 154.9 | 29.4 | -31.1 | 0 | 0 | 0 | 107.5 | V1487 A1491 D1492 | V1487-P1489 WeakPolarHBondContact O-CD 3.4Å; P1489-A1491 PolarHBondContact O-N 3.3Å; P1489-D1492 PolarHBondContact O-N 2.94Å | ||
| 1490 | T | 48.7 | Very low | 60.2 | Low | 64 Ų | 64 | 48.4 Ų | 48.4 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 16.5 | -162.8 | 10.7 | 0 | 0 | 0 | 0 | 114.1 | N1614 L1616 | T1490-N1614 HydrophobicContact CG2-CB 4.41Å; T1490-L1616 HydrophobicContact CG2-CB 3.92Å; T1490-L1616 WeakPolarHBondContact OG1-CB 3.23Å; T1490-L1616 VanDerWaalsContact OG1-CD1 3.22Å; T1490-L1616 WeakPolarHBondContact OG1-CD1 3.4Å |
| 1491 | A | 49.9 | Very low | 60.5 | Low | 83 Ų | 83 | 45.8 Ų | 45.8 | 69% | 0.686 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -4.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1489 R1493 | P1489-A1491 PolarHBondContact O-N 3.3Å; A1491-R1493 PolarHBondContact O-N 2.76Å |
| 1492 | D | 52.9 | Low | 60.7 | Low | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | trans | -71.6 | 52.1 | -172.6 | -61.8 | -9.7 | 0 | 0 | 0 | 114.9 | P1488 P1489 H1574 I1687 | P1488-D1492 WeakPolarHBondContact CB-OD2 3.5Å; P1489-D1492 PolarHBondContact O-N 2.94Å; D1492-H1574 IonicContact OD1-NE2 3.49Å; D1492-I1687 HydrophobicContact CB-CD1 4.02Å; D1492-I1687 HydrophobicContact CB-CG1 4.24Å | ||
| 1493 | R | 58.1 | Low | 61 | Low | 198 Ų | 198 | 48.2 Ų | 48.2 | 75% | 0.747 | 27% | 0.267 | S | S | * | . | trans | -93.6 | 114 | 161.3 | -64.9 | -173.5 | -176 | -167.5 | 2.2 | 108.2 | A1491 | A1491-R1493 PolarHBondContact O-N 2.76Š| ||
| 1494 | T | 61.1 | Low | 61.2 | Low | 8 Ų | 8 | 50.1 Ų | 50.1 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | trans | -53.8 | 134.6 | 161.4 | 53 | 0 | 0 | 0 | 0 | 108.2 | R1496 W1516 T1686 I1687 T1689 | T1494-R1496 PolarHBondContact O-N 2.81Å; T1494-R1496 WeakPolarHBondContact OG1-CG 3.26Å; T1494-W1516 HydrophobicContact CG2-CE3 4.2Å; T1494-W1516 HydrophobicContact CG2-CH2 3.75Å; T1494-W1516 HydrophobicContact CG2-CZ3 3.42Å; T1494-W1516 VanDerWaalsContact CG2-CZ3 3.42Å; T1494-T1686 VanDerWaalsContact CB-O 3.23Å; T1494-T1686 WeakPolarHBondContact CB-O 3.36Å; T1494-T1686 VanDerWaalsContact CG2-O 3.3Å; T1494-T1686 WeakPolarHBondContact CG2-O 3.42Å; T1494-T1686 PolarHBondContact N-O 3.48Å; T1494-T1686 PolarHBondContact OG1-O 2.81Å; T1494-I1687 WeakPolarHBondContact CG2-O 3.49Å; T1494-T1689 HydrophobicContact CG2-CG2 4.08Å | ||
| 1495 | P | 62.7 | Low | 61.3 | Low | 52 Ų | 52 | 58.9 Ų | 58.9 | 34% | 0.338 | 32% | 0.315 | S | S | . | . | trans | -74.4 | 80.8 | 172 | 31.5 | -33.5 | 0 | 0 | 0 | 107.7 | L1514 W1516 V1569 | P1495-L1514 HydrophobicContact CB-CD1 4.29Å; P1495-L1514 WeakPolarHBondContact O-CD1 3.46Å; P1495-W1516 VanDerWaalsContact CD-CD2 3.47Å; P1495-W1516 VanDerWaalsContact CD-CE2 3.42Å; P1495-W1516 HydrophobicContact CG-CB 3.94Å; P1495-W1516 HydrophobicContact CG-CD2 3.96Å; P1495-W1516 HydrophobicContact CG-CG 3.56Å; P1495-V1569 WeakPolarHBondContact O-CG2 3.46Å | ||
| 1496 | R | 63.4 | Low | 61.3 | Low | 46 Ų | 46 | 66 Ų | 66 | 17% | 0.174 | 34% | 0.341 | C | S | . | . | trans | -64.8 | 138 | 176.4 | -61.1 | -174.7 | 167.7 | -169.4 | -7.6 | 109.5 | T1494 F1498 P1499 T1567 D1684 D1685 | T1494-R1496 PolarHBondContact O-N 2.81Å; T1494-R1496 WeakPolarHBondContact OG1-CG 3.26Å; R1496-F1498 VanDerWaalsContact C-N 3.29Å; R1496-F1498 VanDerWaalsContact CB-O 3.3Å; R1496-F1498 WeakPolarHBondContact CB-O 3.44Å; R1496-P1499 PolarHBondContact NH1-O 3.17Å; R1496-T1567 WeakPolarHBondContact CA-O 3.43Å; R1496-D1684 IonicContact CZ-OD1 3.85Å; R1496-D1684 VanDerWaalsContact CZ-OD1 3.28Å; R1496-D1684 IonicContact NH1-OD1 2.64Å; R1496-D1684 PolarHBondContact NH1-OD1 2.87Å; R1496-D1684 IonicContact NH2-OD1 3.97Å; R1496-D1684 PolarHBondContact NH2-OD1 3.42Å; R1496-D1685 VanDerWaalsContact NH2-C 3.35Å; R1496-D1685 PolarHBondContact NH2-O 2.88Å | ||
| 1497 | L | 63.8 | Low | 61.1 | Low | 21 Ų | 21 | 67.2 Ų | 67.2 | 11% | 0.11 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -77.7 | -22.7 | 168.3 | -153.7 | 108.3 | 0 | 0 | 0 | 111.1 | L565 M1512 L1514 T1567 | L565-L1497 HydrophobicContact CD1-CG 4.48Å; L565-L1497 WeakPolarHBondContact CD1-O 3.45Å; L1497-M1512 HydrophobicContact CD1-CE 4.08Å; L1497-M1512 WeakPolarHBondContact CD2-O 3.21Å; L1497-L1514 HydrophobicContact CB-CD1 4.38Å; L1497-L1514 HydrophobicContact CD1-CD1 3.92Å; L1497-L1514 HydrophobicContact CD1-CG 3.89Å; L1497-T1567 PolarHBondContact N-O 3.13Å |
| 1498 | F | 65.5 | Low | 60.9 | Low | 32 Ų | 32 | 70.7 Ų | 70.7 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -125.7 | 124.2 | 177.7 | -50.7 | -61.8 | 0 | 0 | 0 | 109.9 | R1496 H1500 I1502 R1566 T1567 | R1496-F1498 VanDerWaalsContact C-N 3.29Å; R1496-F1498 VanDerWaalsContact CB-O 3.3Å; R1496-F1498 WeakPolarHBondContact CB-O 3.44Å; F1498-H1500 WeakPolarHBondContact CB-O 3.49Å; F1498-H1500 PolarHBondContact O-N 2.6Å; F1498-I1502 HydrophobicContact CB-CD1 4.18Å; F1498-I1502 HydrophobicContact CB-CG1 4.05Å; F1498-I1502 HydrophobicContact CD1-CD1 3.34Å; F1498-I1502 HydrophobicContact CD1-CG1 4.16Å; F1498-I1502 HydrophobicContact CD2-CD1 3.89Å; F1498-I1502 HydrophobicContact CD2-CG1 4.08Å; F1498-I1502 HydrophobicContact CE1-CD1 3.55Å; F1498-I1502 HydrophobicContact CE2-CD1 4.09Å; F1498-I1502 HydrophobicContact CG-CD1 3.52Å; F1498-I1502 HydrophobicContact CG-CG1 3.82Å; F1498-I1502 HydrophobicContact CZ-CD1 3.92Å; F1498-R1566 HydrophobicContact CE2-CB 4.47Å; F1498-T1567 PolarHBondContact N-O 3.44Å |
| 1499 | P | 58.5 | Low | 61 | Low | 79 Ų | 79 | 77.6 Ų | 77.6 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -59.8 | -37.7 | -177.6 | 21.2 | -31.7 | 0 | 0 | 0 | 111.9 | R1496 | R1496-P1499 PolarHBondContact NH1-O 3.17Š|
| 1500 | H | 64.8 | Low | 61.4 | Low | 126 Ų | 126 | 84.6 Ų | 84.6 | 58% | 0.583 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -110.6 | 142.8 | 169.3 | -62.5 | -47.9 | 0 | 0 | 0 | 111.3 | F1498 I1502 | F1498-H1500 WeakPolarHBondContact CB-O 3.49Å; F1498-H1500 PolarHBondContact O-N 2.6Å; H1500-I1502 PolarHBondContact O-N 2.91Å |
| 1501 | P | 69.6 | Low | 61.6 | Low | 23 Ų | 23 | 83.3 Ų | 83.3 | 15% | 0.149 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 125.1 | 176.8 | -22.3 | 32.5 | 0 | 0 | 0 | 111.9 | G1564 R1566 T1567 | P1501-G1564 VanDerWaalsContact CB-C 3.5Å; P1501-G1564 WeakPolarHBondContact CB-O 3.45Å; P1501-R1566 CarbonylContact C-O 3.59Å; P1501-R1566 VanDerWaalsContact CA-O 3.31Å; P1501-R1566 WeakPolarHBondContact CA-O 3.39Å; P1501-T1567 HydrophobicContact CB-CG2 4.39Å; P1501-T1567 HydrophobicContact CG-CG2 4.12Å |
| 1502 | I | 70.9 | Confident | 62.1 | Low | 50 Ų | 50 | 84.5 Ų | 84.5 | 26% | 0.256 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -83.8 | 126.6 | 177.5 | -61.9 | -175 | 0 | 0 | 0 | 109.2 | F1498 H1500 W1504 K1506 Q1507 G1565 R1566 | F1498-I1502 HydrophobicContact CB-CD1 4.18Å; F1498-I1502 HydrophobicContact CB-CG1 4.05Å; F1498-I1502 HydrophobicContact CD1-CD1 3.34Å; F1498-I1502 HydrophobicContact CD1-CG1 4.16Å; F1498-I1502 HydrophobicContact CD2-CD1 3.89Å; F1498-I1502 HydrophobicContact CD2-CG1 4.08Å; F1498-I1502 HydrophobicContact CE1-CD1 3.55Å; F1498-I1502 HydrophobicContact CE2-CD1 4.09Å; F1498-I1502 HydrophobicContact CG-CD1 3.52Å; F1498-I1502 HydrophobicContact CG-CG1 3.82Å; F1498-I1502 HydrophobicContact CZ-CD1 3.92Å; H1500-I1502 PolarHBondContact O-N 2.91Å; I1502-W1504 PolarHBondContact O-N 2.88Å; I1502-K1506 HydrophobicContact CG2-CB 4.33Å; I1502-Q1507 HydrophobicContact CG2-CG 4.34Å; I1502-G1565 CarbonylContact O-C 3.59Å; I1502-G1565 WeakPolarHBondContact O-CA 3.22Å; I1502-R1566 PolarHBondContact N-O 3.3Å; I1502-R1566 PolarHBondContact O-N 2.73Å |
| 1503 | P | 74.6 | Confident | 62.6 | Low | 59 Ų | 59 | 85.3 Ų | 85.3 | 38% | 0.383 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 131.9 | 175.4 | -27.2 | 34.9 | 0 | 0 | 0 | 111.6 | E1505 K1506 | P1503-E1505 PolarHBondContact O-N 2.68Å; P1503-K1506 HydrophobicContact CB-CG 4.46Å; P1503-K1506 HydrophobicContact CG-CD 4.45Å; P1503-K1506 PolarHBondContact O-N 2.88Å |
| 1504 | W | 74.9 | Confident | 62.9 | Low | 42 Ų | 42 | 79 Ų | 79 | 16% | 0.159 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -55.6 | -22.7 | -175.6 | -66 | 90 | 0 | 0 | 0 | 113.7 | I1502 R1561 N1562 R1566 D1690 | I1502-W1504 PolarHBondContact O-N 2.88Å; W1504-R1561 HydrophobicContact CD2-CB 4.47Å; W1504-R1561 HydrophobicContact CD2-CG 4.44Å; W1504-R1561 HydrophobicContact CE3-CG 4.37Å; W1504-R1561 HydrophobicContact CH2-CB 4.11Å; W1504-R1561 HydrophobicContact CH2-CG 3.72Å; W1504-R1561 HydrophobicContact CZ2-CB 3.64Å; W1504-R1561 HydrophobicContact CZ2-CG 3.79Å; W1504-R1561 HydrophobicContact CZ3-CG 4Å; W1504-N1562 PolarHBondContact NE1-O 3.41Å; W1504-R1566 HydrophobicContact CD2-CG 3.94Å; W1504-R1566 HydrophobicContact CE3-CG 3.68Å; W1504-R1566 HydrophobicContact CH2-CG 3.56Å; W1504-R1566 HydrophobicContact CZ2-CG 3.8Å; W1504-R1566 HydrophobicContact CZ3-CG 3.52Å; W1504-D1690 HydrophobicContact CH2-CB 4.21Å |
| 1505 | E | 69.2 | Low | 63.1 | Low | 186 Ų | 186 | 81.8 Ų | 81.8 | 87% | 0.869 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -78.9 | -20.8 | 179.7 | -65.1 | 156.9 | -169.2 | 0 | 0 | 114.3 | P1503 | P1503-E1505 PolarHBondContact O-N 2.68Š|
| 1506 | K | 62.7 | Low | 63.3 | Low | 170 Ų | 170 | 82.3 Ų | 82.3 | 74% | 0.739 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -88.9 | 2.5 | -172.6 | -77.8 | -168.7 | 175 | -175.1 | 0 | 115.1 | I1502 P1503 | I1502-K1506 HydrophobicContact CG2-CB 4.33Å; P1503-K1506 HydrophobicContact CB-CG 4.46Å; P1503-K1506 HydrophobicContact CG-CD 4.45Å; P1503-K1506 PolarHBondContact O-N 2.88Å |
| 1507 | Q | 56.5 | Low | 63.4 | Low | 49 Ų | 49 | 88.5 Ų | 88.5 | 23% | 0.229 | 46% | 0.456 | C | S | . | . | trans | -102.2 | 117.6 | -177.1 | -80.4 | -177.9 | -21 | 0 | 0 | 113.1 | I1502 | I1502-Q1507 HydrophobicContact CG2-CG 4.34Š| ||
| 1508 | S | 51.4 | Low | 63.4 | Low | 121 Ų | 121 | 88.3 Ų | 88.3 | 85% | 0.846 | 46% | 0.456 | S | S | * | . | trans | -90 | -4.9 | 176 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1509 | Q | 54.8 | Low | 63.1 | Low | 149 Ų | 149 | 91 Ų | 91 | 70% | 0.696 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -133.4 | 156.1 | -177.1 | -64.3 | -175.1 | -4.9 | 0 | 0 | 111.2 | P1511 | Q1509-P1511 VanDerWaalsContact O-CD 3.3Å; Q1509-P1511 WeakPolarHBondContact O-CD 3.44Å |
| 1510 | K | 55.1 | Low | 63.1 | Low | 205 Ų | 205 | 90.8 Ų | 90.8 | 89% | 0.891 | 47% | 0.474 | S | S | * | . | trans | -64 | 115.3 | 172.8 | -89.9 | -176.2 | 173.1 | 179.5 | 0 | 108.9 | ||||
| 1511 | P | 53.7 | Low | 62.8 | Low | 38 Ų | 38 | 87.9 Ų | 87.9 | 25% | 0.247 | 46% | 0.458 | C | S | . | . | trans | -77.9 | 147.8 | -177.8 | 32.6 | -36.1 | 0 | 0 | 0 | 111.9 | Q1509 C1513 | Q1509-P1511 VanDerWaalsContact O-CD 3.3Å; Q1509-P1511 WeakPolarHBondContact O-CD 3.44Å; P1511-C1513 PolarHBondContact O-N 3.42Å | ||
| 1512 | M | 60.4 | Low | 62.2 | Low | 107 Ų | 107 | 91.7 Ų | 91.7 | 53% | 0.527 | 49% | 0.486 | S | S | . | . | trans | -75.6 | 111.7 | 163.7 | -172 | 174.5 | 75.5 | 0 | 0 | 108.9 | L1497 | L1497-M1512 HydrophobicContact CD1-CE 4.08Å; L1497-M1512 WeakPolarHBondContact CD2-O 3.21Å | ||
| 1513 | C | 63.9 | Low | 61.9 | Low | 30 Ų | 30 | 89.8 Ų | 89.8 | 20% | 0.203 | 48% | 0.476 | C | S | . | . | trans | -97.9 | 137.1 | 171.2 | -64.9 | 0 | 0 | 0 | 0 | 110.2 | P1511 G1515 G1568 N1570 D1690 | P1511-C1513 PolarHBondContact O-N 3.42Å; C1513-G1515 PolarHBondContact O-N 3.4Å; C1513-G1568 CarbonylContact C-O 3.5Å; C1513-G1568 WeakPolarHBondContact CA-O 3.32Å; C1513-N1570 HydrophobicContact CB-CB 4.24Å; C1513-N1570 WeakPolarHBondContact CB-ND2 3.42Å; C1513-D1690 PolarHBondContact SG-OD2 3.07Å | ||
| 1514 | L | 64.1 | Low | 61.3 | Low | 66 Ų | 66 | 92.4 Ų | 92.4 | 35% | 0.346 | 48% | 0.483 | S | S | . | . | B | Isolated β-bridge | trans | -68.4 | 123.1 | 173.1 | -74 | 160.8 | 0 | 0 | 0 | 110 | P1495 L1497 W1516 G1568 V1569 N1570 | P1495-L1514 HydrophobicContact CB-CD1 4.29Å; P1495-L1514 WeakPolarHBondContact O-CD1 3.46Å; L1497-L1514 HydrophobicContact CB-CD1 4.38Å; L1497-L1514 HydrophobicContact CD1-CD1 3.92Å; L1497-L1514 HydrophobicContact CD1-CG 3.89Å; L1514-W1516 PolarHBondContact O-N 3.34Å; L1514-G1568 PolarHBondContact N-O 2.92Å; L1514-V1569 HydrophobicContact CB-CG2 4.48Å; L1514-N1570 PolarHBondContact O-N 3.02Å; L1514-N1570 VanDerWaalsContact O-N 3.12Å |
| 1515 | G | 64.2 | Low | 60.8 | Low | 66 Ų | 66 | 93.4 Ų | 93.4 | 68% | 0.68 | 51% | 0.506 | S | S | * | . | trans | -78.5 | 47.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C1513 K1517 | C1513-G1515 PolarHBondContact O-N 3.4Å; G1515-K1517 PolarHBondContact O-N 2.98Å | ||
| 1516 | W | 66.4 | Low | 60.8 | Low | 63 Ų | 63 | 84.8 Ų | 84.8 | 24% | 0.239 | 47% | 0.466 | C | S | . | . | trans | -72.5 | 116 | -173.4 | -179.7 | 72 | 0 | 0 | 0 | 111.6 | T1494 P1495 L1514 P1518 V1569 H1574 | T1494-W1516 HydrophobicContact CG2-CE3 4.2Å; T1494-W1516 HydrophobicContact CG2-CH2 3.75Å; T1494-W1516 HydrophobicContact CG2-CZ3 3.42Å; T1494-W1516 VanDerWaalsContact CG2-CZ3 3.42Å; P1495-W1516 VanDerWaalsContact CD-CD2 3.47Å; P1495-W1516 VanDerWaalsContact CD-CE2 3.42Å; P1495-W1516 HydrophobicContact CG-CB 3.94Å; P1495-W1516 HydrophobicContact CG-CD2 3.96Å; P1495-W1516 HydrophobicContact CG-CG 3.56Å; L1514-W1516 PolarHBondContact O-N 3.34Å; W1516-P1518 HydrophobicContact CD2-CB 4.48Å; W1516-P1518 HydrophobicContact CD2-CG 4.24Å; W1516-P1518 HydrophobicContact CE3-CG 3.94Å; W1516-P1518 HydrophobicContact CH2-CB 4.03Å; W1516-P1518 HydrophobicContact CH2-CG 3.85Å; W1516-P1518 HydrophobicContact CZ2-CB 3.84Å; W1516-P1518 HydrophobicContact CZ2-CG 4.1Å; W1516-P1518 HydrophobicContact CZ3-CB 4.36Å; W1516-P1518 HydrophobicContact CZ3-CG 3.72Å; W1516-P1518 WeakPolarHBondContact O-CD 3.46Å; W1516-V1569 HydrophobicContact CB-CG1 3.86Å; W1516-V1569 HydrophobicContact CE3-CG1 3.96Å; W1516-H1574 AromaticContact CH2-CD2 3.39Å; W1516-H1574 WeakPolarHBondContact CH2-CD2 3.39Å; W1516-H1574 AromaticContact CH2-NE2 3.43Å; W1516-H1574 WeakPolarHBondContact CH2-NE2 3.39Å; W1516-H1574 AromaticContact CZ2-NE2 3.56Å | ||
| 1517 | K | 65.3 | Low | 61.2 | Low | 176 Ų | 176 | 78.5 Ų | 78.5 | 77% | 0.765 | 44% | 0.442 | S | S | * | . | trans | -115.6 | 87.8 | 178.5 | -66.5 | -174.9 | 179.1 | -171.2 | 0 | 109.5 | G1515 | G1515-K1517 PolarHBondContact O-N 2.98Š| ||
| 1518 | P | 64.8 | Low | 62.1 | Low | 17 Ų | 17 | 76.6 Ų | 76.6 | 11% | 0.11 | 43% | 0.433 | C | S | . | . | trans | -70.1 | 164.6 | 176.6 | 30.1 | -34.6 | 0 | 0 | 0 | 111.5 | W1516 V1520 G1573 H1574 | W1516-P1518 HydrophobicContact CD2-CB 4.48Å; W1516-P1518 HydrophobicContact CD2-CG 4.24Å; W1516-P1518 HydrophobicContact CE3-CG 3.94Å; W1516-P1518 HydrophobicContact CH2-CB 4.03Å; W1516-P1518 HydrophobicContact CH2-CG 3.85Å; W1516-P1518 HydrophobicContact CZ2-CB 3.84Å; W1516-P1518 HydrophobicContact CZ2-CG 4.1Å; W1516-P1518 HydrophobicContact CZ3-CB 4.36Å; W1516-P1518 HydrophobicContact CZ3-CG 3.72Å; W1516-P1518 WeakPolarHBondContact O-CD 3.46Å; P1518-V1520 PolarHBondContact O-N 3.35Å; P1518-G1573 VanDerWaalsContact CG-C 3.41Å; P1518-G1573 WeakPolarHBondContact CG-O 3.18Å; P1518-H1574 WeakPolarHBondContact CB-CE1 3.42Å | ||
| 1519 | P | 60.1 | Low | 63 | Low | 90 Ų | 90 | 73.1 Ų | 73.1 | 58% | 0.584 | 41% | 0.407 | S | S | * | . | trans | -57.9 | 126.6 | 165.7 | 26 | -33.9 | 0 | 0 | 0 | 110 | ||||
| 1520 | V | 56.7 | Low | 63.6 | Low | 74 Ų | 74 | 68.3 Ų | 68.3 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | trans | -86.2 | 115.9 | -179 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | P1518 S1522 T1527 | P1518-V1520 PolarHBondContact O-N 3.35Å; V1520-S1522 PolarHBondContact O-N 3.06Å; V1520-S1522 VanDerWaalsContact O-N 3.13Å; V1520-T1527 HydrophobicContact CG1-CG2 3.72Å | ||
| 1521 | Y | 60.2 | Low | 64.5 | Low | 64 Ų | 64 | 62.2 Ų | 62.2 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | trans | -74 | 100.7 | 173.8 | -63.9 | -73.7 | 0 | 0 | 0 | 110 | F1486 I1523 H1574 | F1486-Y1521 HydrophobicContact CE2-CD2 4.09Å; F1486-Y1521 HydrophobicContact CE2-CG 4.39Å; F1486-Y1521 AromaticContact CZ-CD2 3.92Å; F1486-Y1521 HydrophobicContact CZ-CD2 3.92Å; F1486-Y1521 HydrophobicContact CZ-CE2 4.21Å; Y1521-I1523 PolarHBondContact O-N 3.18Å; Y1521-I1523 VanDerWaalsContact O-N 3.13Å; Y1521-H1574 AromaticContact CE2-ND1 3.82Å | ||
| 1522 | S | 56.9 | Low | 65.5 | Low | 104 Ų | 104 | 61.2 Ų | 61.2 | 73% | 0.727 | 37% | 0.367 | S | S | * | . | trans | -77.6 | 97.6 | -176.8 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | V1520 | V1520-S1522 PolarHBondContact O-N 3.06Å; V1520-S1522 VanDerWaalsContact O-N 3.13Å | ||
| 1523 | I | 64.9 | Low | 66.1 | Low | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.046 | 37% | 0.374 | C | S | . | . | trans | -76.7 | 118.2 | 164.6 | -41.1 | 178.2 | 0 | 0 | 0 | 109.4 | L1473 V1475 A1484 Y1521 G1525 W1526 T1527 P1576 | L1473-I1523 HydrophobicContact CD1-CG1 4.34Å; L1473-I1523 HydrophobicContact CD2-CD1 4.26Å; L1473-I1523 HydrophobicContact CD2-CG1 3.98Å; L1473-I1523 HydrophobicContact CD2-CG2 4.21Å; V1475-I1523 HydrophobicContact CB-CG2 4.5Å; V1475-I1523 HydrophobicContact CG1-CG2 4.17Å; V1475-I1523 HydrophobicContact CG2-CG2 3.48Å; V1475-I1523 VanDerWaalsContact CG2-CG2 3.48Å; A1484-I1523 HydrophobicContact CB-CD1 4.32Å; Y1521-I1523 PolarHBondContact O-N 3.18Å; Y1521-I1523 VanDerWaalsContact O-N 3.13Å; I1523-G1525 PolarHBondContact O-N 3.11Å; I1523-W1526 HydrophobicContact CB-CB 4.31Å; I1523-W1526 HydrophobicContact CB-CE3 4.15Å; I1523-W1526 HydrophobicContact CD1-CD2 4.2Å; I1523-W1526 HydrophobicContact CD1-CE3 3.59Å; I1523-W1526 HydrophobicContact CD1-CH2 4.41Å; I1523-W1526 HydrophobicContact CD1-CZ3 3.71Å; I1523-W1526 HydrophobicContact CG1-CE3 4.47Å; I1523-W1526 HydrophobicContact CG2-CB 4.39Å; I1523-W1526 HydrophobicContact CG2-CE3 3.7Å; I1523-W1526 HydrophobicContact CG2-CZ3 4.37Å; I1523-W1526 PolarHBondContact O-N 3Å; I1523-T1527 WeakPolarHBondContact CA-OG1 3.44Å; I1523-T1527 PolarHBondContact N-OG1 3.24Å; I1523-T1527 PolarHBondContact O-N 3.19Å; I1523-T1527 VanDerWaalsContact O-N 3.15Å; I1523-T1527 PolarHBondContact O-OG1 3.16Å; I1523-P1576 HydrophobicContact CD1-CB 4.02Å; I1523-P1576 HydrophobicContact CD1-CG 4.39Å | ||
| 1524 | E | 60.5 | Low | 66.4 | Low | 115 Ų | 115 | 64.2 Ų | 64.2 | 54% | 0.537 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 121.7 | -177.3 | -82.7 | -165.1 | 169.1 | 0 | 0 | 111.9 | K1463 W1526 | K1463-E1524 VanDerWaalsContact CD-OE2 3.23Å; K1463-E1524 WeakPolarHBondContact CD-OE2 3.36Å; K1463-E1524 IonicContact NZ-OE1 3.9Å; K1463-E1524 PolarHBondContact NZ-OE1 3.35Å; K1463-E1524 IonicContact NZ-OE2 3.21Å; K1463-E1524 PolarHBondContact NZ-OE2 3.04Å; E1524-W1526 VanDerWaalsContact C-N 3.26Å; E1524-W1526 PolarHBondContact O-N 3.21Å |
| 1525 | G | 65 | Low | 66.7 | Low | 63 Ų | 63 | 61.6 Ų | 61.6 | 65% | 0.649 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 20.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K1482 I1523 | K1482-G1525 PolarHBondContact NZ-O 3.29Å; I1523-G1525 PolarHBondContact O-N 3.11Å |
| 1526 | W | 68.7 | Low | 66.8 | Low | 5 Ų | 5 | 61.5 Ų | 61.5 | 2% | 0.019 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | -29.3 | 170.9 | -178.2 | 11.3 | 0 | 0 | 0 | 111.8 | A1484 I1523 E1524 E1528 P1576 E1577 L1624 | A1484-W1526 HydrophobicContact CB-CH2 4.43Å; A1484-W1526 HydrophobicContact CB-CZ3 3.66Å; I1523-W1526 HydrophobicContact CB-CB 4.31Å; I1523-W1526 HydrophobicContact CB-CE3 4.15Å; I1523-W1526 HydrophobicContact CD1-CD2 4.2Å; I1523-W1526 HydrophobicContact CD1-CE3 3.59Å; I1523-W1526 HydrophobicContact CD1-CH2 4.41Å; I1523-W1526 HydrophobicContact CD1-CZ3 3.71Å; I1523-W1526 HydrophobicContact CG1-CE3 4.47Å; I1523-W1526 HydrophobicContact CG2-CB 4.39Å; I1523-W1526 HydrophobicContact CG2-CE3 3.7Å; I1523-W1526 HydrophobicContact CG2-CZ3 4.37Å; I1523-W1526 PolarHBondContact O-N 3Å; E1524-W1526 VanDerWaalsContact C-N 3.26Å; E1524-W1526 PolarHBondContact O-N 3.21Å; W1526-E1528 PolarHBondContact O-N 3.44Å; W1526-P1576 HydrophobicContact CD2-CB 4.44Å; W1526-P1576 HydrophobicContact CD2-CG 4.49Å; W1526-P1576 HydrophobicContact CZ2-CG 4.03Å; W1526-E1577 PolarHBondContact NE1-OE2 3.2Å; W1526-E1577 VanDerWaalsContact NE1-OE2 3.08Å; W1526-L1624 VanDerWaalsContact CH2-C 3.47Å; W1526-L1624 HydrophobicContact CH2-CB 3.36Å; W1526-L1624 WeakPolarHBondContact CH2-O 3.3Å; W1526-L1624 HydrophobicContact CZ2-CB 3.8Å; W1526-L1624 HydrophobicContact CZ3-CB 4.43Å |
| 1527 | T | 72.2 | Confident | 66.9 | Low | 38 Ų | 38 | 64.5 Ų | 64.5 | 23% | 0.233 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 119.8 | -175 | -46.8 | 0 | 0 | 0 | 0 | 113 | V1520 I1523 P1576 | V1520-T1527 HydrophobicContact CG1-CG2 3.72Å; I1523-T1527 WeakPolarHBondContact CA-OG1 3.44Å; I1523-T1527 PolarHBondContact N-OG1 3.24Å; I1523-T1527 PolarHBondContact O-N 3.19Å; I1523-T1527 VanDerWaalsContact O-N 3.15Å; I1523-T1527 PolarHBondContact O-OG1 3.16Å; T1527-P1576 WeakPolarHBondContact CA-O 3.37Å |
| 1528 | E | 74.1 | Confident | 66.9 | Low | 9 Ų | 9 | 62.9 Ų | 62.9 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 156.2 | 171.9 | -66.4 | 175.9 | 149.1 | 0 | 0 | 113.2 | W1526 L1535 R1539 F1543 K1572 P1576 E1577 W1578 | W1526-E1528 PolarHBondContact O-N 3.44Å; E1528-L1535 HydrophobicContact CB-CD2 4Å; E1528-L1535 HydrophobicContact CG-CD2 3.81Å; E1528-L1535 WeakPolarHBondContact OE1-CD2 3.25Å; E1528-R1539 VanDerWaalsContact OE1-CD 3.31Å; E1528-R1539 WeakPolarHBondContact OE1-CD 3.44Å; E1528-R1539 IonicContact OE1-CZ 3.56Å; E1528-R1539 VanDerWaalsContact OE1-CZ 3.27Å; E1528-R1539 IonicContact OE1-NE 3.59Å; E1528-R1539 PolarHBondContact OE1-NE 3.42Å; E1528-R1539 IonicContact OE1-NH1 3.41Å; E1528-R1539 PolarHBondContact OE1-NH1 3.19Å; E1528-F1543 VanDerWaalsContact OE1-CE1 3.31Å; E1528-F1543 WeakPolarHBondContact OE1-CE1 3.36Å; E1528-F1543 WeakPolarHBondContact OE2-CE1 3.4Å; E1528-K1572 PolarHBondContact O-NZ 3.33Å; E1528-P1576 PolarHBondContact N-O 3.32Å; E1528-P1576 VanDerWaalsContact N-O 3.14Å; E1528-E1577 HydrophobicContact CG-CG 4.26Å; E1528-E1577 WeakPolarHBondContact OE2-CA 3.13Å; E1528-W1578 PolarHBondContact OE2-N 3.34Å |
| 1529 | P | 70.9 | Confident | 66.9 | Low | 47 Ų | 47 | 65.2 Ų | 65.2 | 31% | 0.305 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 154 | 177.5 | 23.4 | -33.4 | 0 | 0 | 0 | 113.8 | N1531 E1534 L1535 W1578 | P1529-N1531 VanDerWaalsContact C-N 3.33Å; P1529-N1531 PolarHBondContact O-N 3.41Å; P1529-E1534 HydrophobicContact CB-CB 3.8Å; P1529-E1534 WeakPolarHBondContact CB-OE2 3.42Å; P1529-E1534 HydrophobicContact CG-CB 3.73Å; P1529-L1535 HydrophobicContact CG-CG 4.11Å; P1529-W1578 PolarHBondContact O-NE1 3.21Å |
| 1530 | G | 66.8 | Low | 67.2 | Low | 49 Ų | 49 | 63.2 Ų | 63.2 | 51% | 0.505 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -75.1 | -15.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | W1578 | G1530-W1578 WeakPolarHBondContact O-CZ2 3.4Š|
| 1531 | N | 73.8 | Confident | 67.5 | Low | 76 Ų | 76 | 66.5 Ų | 66.5 | 41% | 0.406 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -102.7 | 131.8 | 168 | -75.9 | -39.8 | 0 | 0 | 0 | 109.9 | P1529 A1533 E1534 | P1529-N1531 VanDerWaalsContact C-N 3.33Å; P1529-N1531 PolarHBondContact O-N 3.41Å; N1531-A1533 PolarHBondContact O-N 3.22Å; N1531-E1534 HydrophobicContact CB-CG 4.06Å; N1531-E1534 WeakPolarHBondContact CB-OE1 3.23Å; N1531-E1534 PolarHBondContact ND2-OE1 2.9Å; N1531-E1534 PolarHBondContact O-N 3.11Å; N1531-E1534 VanDerWaalsContact O-N 3.15Å |
| 1532 | F | 75.7 | Confident | 67.5 | Low | 17 Ų | 17 | 68.2 Ų | 68.2 | 8% | 0.075 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -60.7 | -30 | 176 | -166.9 | -100 | 0 | 0 | 0 | 112.8 | E1534 L1535 K1540 F1543 T1557 G1558 C1559 P1560 W1578 | F1532-E1534 VanDerWaalsContact C-N 3.26Å; F1532-E1534 PolarHBondContact O-N 3.1Å; F1532-L1535 HydrophobicContact CD2-CD1 3.99Å; F1532-L1535 HydrophobicContact CE2-CD1 4.34Å; F1532-L1535 PolarHBondContact O-N 2.97Å; F1532-K1540 HydrophobicContact CD1-CD 4.45Å; F1532-K1540 HydrophobicContact CE1-CB 4.47Å; F1532-K1540 HydrophobicContact CE1-CD 3.84Å; F1532-K1540 HydrophobicContact CE1-CG 3.86Å; F1532-K1540 HydrophobicContact CZ-CB 4.19Å; F1532-K1540 HydrophobicContact CZ-CD 4.34Å; F1532-K1540 HydrophobicContact CZ-CG 3.84Å; F1532-K1540 WeakPolarHBondContact O-CE 3.35Å; F1532-F1543 HydrophobicContact CD2-CE2 4.48Å; F1532-F1543 HydrophobicContact CE2-CD2 4.09Å; F1532-F1543 AromaticContact CE2-CE2 3.43Å; F1532-F1543 HydrophobicContact CE2-CE2 3.43Å; F1532-F1543 VanDerWaalsContact CE2-CE2 3.43Å; F1532-F1543 HydrophobicContact CE2-CZ 4.23Å; F1532-F1543 HydrophobicContact CZ-CD2 4.37Å; F1532-F1543 AromaticContact CZ-CE2 3.89Å; F1532-F1543 HydrophobicContact CZ-CE2 3.89Å; F1532-T1557 WeakPolarHBondContact CD1-O 3.37Å; F1532-G1558 WeakPolarHBondContact CE1-O 3.42Å; F1532-G1558 WeakPolarHBondContact CZ-O 3.13Å; F1532-C1559 VanDerWaalsContact CB-SG 3.5Å; F1532-C1559 HydrophobicContact CD2-CB 4.45Å; F1532-C1559 HydrophobicContact CG-CB 4.44Å; F1532-C1559 WeakPolarHBondContact CG-SG 3.34Å; F1532-P1560 VanDerWaalsContact CE2-CD 3.4Å; F1532-W1578 HydrophobicContact CB-CH2 3.9Å; F1532-W1578 HydrophobicContact CB-CZ2 3.88Å; F1532-W1578 HydrophobicContact CB-CZ3 4.25Å; F1532-W1578 HydrophobicContact CD2-CB 4.47Å; F1532-W1578 AromaticContact CD2-CD2 3.71Å; F1532-W1578 HydrophobicContact CD2-CD2 3.71Å; F1532-W1578 AromaticContact CD2-CE3 3.84Å; F1532-W1578 HydrophobicContact CD2-CE3 3.84Å; F1532-W1578 HydrophobicContact CD2-CG 4.01Å; F1532-W1578 HydrophobicContact CD2-CZ3 4.29Å; F1532-W1578 HydrophobicContact CE2-CB 4.46Å; F1532-W1578 HydrophobicContact CE2-CD2 4.5Å; F1532-W1578 HydrophobicContact CE2-CG 4.45Å; F1532-W1578 VanDerWaalsContact N-CZ2 3.34Å |
| 1533 | A | 72.5 | Confident | 67.8 | Low | 82 Ų | 82 | 64.9 Ų | 64.9 | 68% | 0.678 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -65.5 | -24.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1531 L1535 | N1531-A1533 PolarHBondContact O-N 3.22Å; A1533-L1535 VanDerWaalsContact C-N 3.33Å |
| 1534 | E | 71 | Confident | 67.4 | Low | 118 Ų | 118 | 74.7 Ų | 74.7 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -83.4 | -7 | -177.8 | -71.1 | 163.8 | -153.2 | 0 | 0 | 113.4 | P1529 N1531 F1532 | P1529-E1534 HydrophobicContact CB-CB 3.8Å; P1529-E1534 WeakPolarHBondContact CB-OE2 3.42Å; P1529-E1534 HydrophobicContact CG-CB 3.73Å; N1531-E1534 HydrophobicContact CB-CG 4.06Å; N1531-E1534 WeakPolarHBondContact CB-OE1 3.23Å; N1531-E1534 PolarHBondContact ND2-OE1 2.9Å; N1531-E1534 PolarHBondContact O-N 3.11Å; N1531-E1534 VanDerWaalsContact O-N 3.15Å; F1532-E1534 VanDerWaalsContact C-N 3.26Å; F1532-E1534 PolarHBondContact O-N 3.1Å |
| 1535 | L | 69 | Low | 67.6 | Low | 11 Ų | 11 | 70.5 Ų | 70.5 | 6% | 0.058 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -74.8 | 142.5 | 172.8 | -78 | 141.3 | 0 | 0 | 0 | 111.3 | E1528 P1529 F1532 A1533 R1539 K1540 F1543 W1578 | E1528-L1535 HydrophobicContact CB-CD2 4Å; E1528-L1535 HydrophobicContact CG-CD2 3.81Å; E1528-L1535 WeakPolarHBondContact OE1-CD2 3.25Å; P1529-L1535 HydrophobicContact CG-CG 4.11Å; F1532-L1535 HydrophobicContact CD2-CD1 3.99Å; F1532-L1535 HydrophobicContact CE2-CD1 4.34Å; F1532-L1535 PolarHBondContact O-N 2.97Å; A1533-L1535 VanDerWaalsContact C-N 3.33Å; L1535-R1539 HydrophobicContact CB-CB 4.39Å; L1535-R1539 HydrophobicContact CD2-CB 3.61Å; L1535-R1539 HydrophobicContact CD2-CG 4.06Å; L1535-K1540 HydrophobicContact CB-CG 3.9Å; L1535-K1540 WeakPolarHBondContact O-CE 3.48Å; L1535-K1540 PolarHBondContact O-NZ 2.95Å; L1535-F1543 HydrophobicContact CD1-CZ 4.09Å; L1535-F1543 HydrophobicContact CD2-CZ 4.34Å; L1535-W1578 HydrophobicContact CD1-CG 4.3Å |
| 1536 | S | 67.9 | Low | 67.4 | Low | 64 Ų | 64 | 72.3 Ų | 72.3 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | trans | -62 | 147.2 | 167.1 | 62.9 | 0 | 0 | 0 | 0 | 110.3 | E1538 R1539 K1540 | S1536-E1538 PolarHBondContact O-N 3.48Å; S1536-E1538 VanDerWaalsContact O-N 3.16Å; S1536-R1539 WeakPolarHBondContact O-CA 3.45Å; S1536-R1539 WeakPolarHBondContact O-CB 3.29Å; S1536-R1539 PolarHBondContact O-N 3.1Å; S1536-R1539 PolarHBondContact OG-N 3.37Å; S1536-K1540 PolarHBondContact O-N 3.36Å | ||
| 1537 | E | 67.7 | Low | 67.2 | Low | 126 Ų | 126 | 73.6 Ų | 73.6 | 59% | 0.589 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -55.7 | -33.3 | 176.6 | -66.3 | -55.2 | 131.1 | 0 | 0 | 112 | R1539 K1540 L1541 | E1537-R1539 PolarHBondContact O-N 2.84Å; E1537-K1540 PolarHBondContact O-N 2.93Å; E1537-K1540 WeakPolarHBondContact OE1-CD 3.35Å; E1537-K1540 IonicContact OE1-NZ 2.67Å; E1537-K1540 PolarHBondContact OE1-NZ 3.49Å; E1537-L1541 WeakPolarHBondContact O-CG 3.48Å; E1537-L1541 PolarHBondContact O-N 3.23Å |
| 1538 | E | 65.1 | Low | 66.7 | Low | 142 Ų | 142 | 76.8 Ų | 76.8 | 66% | 0.664 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.5 | -42.5 | 172.4 | -60.7 | -170.6 | 153.8 | 0 | 0 | 113.1 | S1536 L1541 Q1542 | S1536-E1538 PolarHBondContact O-N 3.48Å; S1536-E1538 VanDerWaalsContact O-N 3.16Å; E1538-L1541 PolarHBondContact O-N 2.75Å; E1538-Q1542 WeakPolarHBondContact O-CG 3.42Å |
| 1539 | R | 64.6 | Low | 66.4 | Low | 66 Ų | 66 | 84 Ų | 84 | 25% | 0.249 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -70.6 | -37.7 | 175.2 | -97.6 | -70.4 | -158.8 | 164.8 | -5.8 | 111.5 | E1528 L1535 S1536 E1537 L1541 Q1542 E1577 | E1528-R1539 VanDerWaalsContact OE1-CD 3.31Å; E1528-R1539 WeakPolarHBondContact OE1-CD 3.44Å; E1528-R1539 IonicContact OE1-CZ 3.56Å; E1528-R1539 VanDerWaalsContact OE1-CZ 3.27Å; E1528-R1539 IonicContact OE1-NE 3.59Å; E1528-R1539 PolarHBondContact OE1-NE 3.42Å; E1528-R1539 IonicContact OE1-NH1 3.41Å; E1528-R1539 PolarHBondContact OE1-NH1 3.19Å; L1535-R1539 HydrophobicContact CB-CB 4.39Å; L1535-R1539 HydrophobicContact CD2-CB 3.61Å; L1535-R1539 HydrophobicContact CD2-CG 4.06Å; S1536-R1539 WeakPolarHBondContact O-CA 3.45Å; S1536-R1539 WeakPolarHBondContact O-CB 3.29Å; S1536-R1539 PolarHBondContact O-N 3.1Å; S1536-R1539 PolarHBondContact OG-N 3.37Å; E1537-R1539 PolarHBondContact O-N 2.84Å; R1539-L1541 PolarHBondContact O-N 3.06Å; R1539-Q1542 WeakPolarHBondContact O-CB 3.39Å; R1539-Q1542 PolarHBondContact O-N 3.46Å; R1539-E1577 IonicContact CZ-OE1 3.79Å; R1539-E1577 IonicContact NH1-OE1 3.67Å; R1539-E1577 PolarHBondContact NH1-OE1 2.82Å; R1539-E1577 IonicContact NH2-OE1 2.65Å; R1539-E1577 PolarHBondContact NH2-OE1 2.8Å; R1539-E1577 VanDerWaalsContact NH2-OE1 3.07Å |
| 1540 | K | 67.1 | Low | 66.1 | Low | 49 Ų | 49 | 84.7 Ų | 84.7 | 21% | 0.213 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.4 | -30.1 | 175.4 | -66.9 | 177 | -173.3 | 159.7 | 0 | 112.9 | F1532 L1535 S1536 E1537 F1543 | F1532-K1540 HydrophobicContact CD1-CD 4.45Å; F1532-K1540 HydrophobicContact CE1-CB 4.47Å; F1532-K1540 HydrophobicContact CE1-CD 3.84Å; F1532-K1540 HydrophobicContact CE1-CG 3.86Å; F1532-K1540 HydrophobicContact CZ-CB 4.19Å; F1532-K1540 HydrophobicContact CZ-CD 4.34Å; F1532-K1540 HydrophobicContact CZ-CG 3.84Å; F1532-K1540 WeakPolarHBondContact O-CE 3.35Å; L1535-K1540 HydrophobicContact CB-CG 3.9Å; L1535-K1540 WeakPolarHBondContact O-CE 3.48Å; L1535-K1540 PolarHBondContact O-NZ 2.95Å; S1536-K1540 PolarHBondContact O-N 3.36Å; E1537-K1540 PolarHBondContact O-N 2.93Å; E1537-K1540 WeakPolarHBondContact OE1-CD 3.35Å; E1537-K1540 IonicContact OE1-NZ 2.67Å; E1537-K1540 PolarHBondContact OE1-NZ 3.49Å; K1540-F1543 VanDerWaalsContact O-CD2 3.3Å; K1540-F1543 WeakPolarHBondContact O-CD2 3.41Å |
| 1541 | L | 62.9 | Low | 66.3 | Low | 143 Ų | 143 | 83.8 Ų | 83.8 | 75% | 0.749 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -8.4 | 175.2 | -71.8 | 161.4 | 0 | 0 | 0 | 114.5 | E1537 E1538 R1539 | E1537-L1541 WeakPolarHBondContact O-CG 3.48Å; E1537-L1541 PolarHBondContact O-N 3.23Å; E1538-L1541 PolarHBondContact O-N 2.75Å; R1539-L1541 PolarHBondContact O-N 3.06Å |
| 1542 | Q | 61 | Low | 66.3 | Low | 99 Ų | 99 | 83.9 Ų | 83.9 | 46% | 0.463 | 43% | 0.431 | S | S | . | . | trans | -91.8 | -3.2 | -173.8 | -79.2 | 174 | 19.6 | 0 | 0 | 115.1 | E1538 R1539 R1544 | E1538-Q1542 WeakPolarHBondContact O-CG 3.42Å; R1539-Q1542 WeakPolarHBondContact O-CB 3.39Å; R1539-Q1542 PolarHBondContact O-N 3.46Å; Q1542-R1544 PolarHBondContact O-N 2.95Å | ||
| 1543 | F | 61.6 | Low | 66.2 | Low | 35 Ų | 35 | 86.9 Ų | 86.9 | 15% | 0.154 | 45% | 0.453 | C | S | . | . | trans | -70.5 | 64.5 | 179 | -57.7 | -52.5 | 0 | 0 | 0 | 113.5 | E1528 F1532 L1535 K1540 T1545 P1560 W1578 | E1528-F1543 VanDerWaalsContact OE1-CE1 3.31Å; E1528-F1543 WeakPolarHBondContact OE1-CE1 3.36Å; E1528-F1543 WeakPolarHBondContact OE2-CE1 3.4Å; F1532-F1543 HydrophobicContact CD2-CE2 4.48Å; F1532-F1543 HydrophobicContact CE2-CD2 4.09Å; F1532-F1543 AromaticContact CE2-CE2 3.43Å; F1532-F1543 HydrophobicContact CE2-CE2 3.43Å; F1532-F1543 VanDerWaalsContact CE2-CE2 3.43Å; F1532-F1543 HydrophobicContact CE2-CZ 4.23Å; F1532-F1543 HydrophobicContact CZ-CD2 4.37Å; F1532-F1543 AromaticContact CZ-CE2 3.89Å; F1532-F1543 HydrophobicContact CZ-CE2 3.89Å; L1535-F1543 HydrophobicContact CD1-CZ 4.09Å; L1535-F1543 HydrophobicContact CD2-CZ 4.34Å; K1540-F1543 VanDerWaalsContact O-CD2 3.3Å; K1540-F1543 WeakPolarHBondContact O-CD2 3.41Å; F1543-T1545 PolarHBondContact O-N 3.22Å; F1543-P1560 HydrophobicContact CD2-CG 4.32Å; F1543-P1560 HydrophobicContact CG-CG 4.46Å; F1543-W1578 HydrophobicContact CD1-CB 4.27Å; F1543-W1578 WeakPolarHBondContact CD1-O 3.26Å; F1543-W1578 HydrophobicContact CE1-CB 3.68Å; F1543-W1578 VanDerWaalsContact CE1-O 3.31Å; F1543-W1578 WeakPolarHBondContact CE1-O 3.11Å; F1543-W1578 HydrophobicContact CE2-CB 4.17Å; F1543-W1578 HydrophobicContact CZ-CB 3.64Å; F1543-W1578 HydrophobicContact CZ-CG 4.39Å | ||
| 1544 | R | 57.3 | Low | 66.3 | Low | 215 Ų | 215 | 84.2 Ų | 84.2 | 81% | 0.811 | 43% | 0.427 | S | S | * | . | trans | -85.2 | 95.3 | 178.7 | -71.9 | -172.1 | 176.8 | -168 | 0 | 111.4 | Q1542 | Q1542-R1544 PolarHBondContact O-N 2.95Š| ||
| 1545 | T | 63.7 | Low | 66.2 | Low | 27 Ų | 27 | 83.9 Ų | 83.9 | 17% | 0.166 | 44% | 0.435 | C | S | . | . | trans | -62.2 | 149.5 | 159.2 | 126.4 | 0 | 0 | 0 | 0 | 110.3 | F1543 I1547 V1550 W1693 E1695 | F1543-T1545 PolarHBondContact O-N 3.22Å; T1545-I1547 PolarHBondContact OG1-N 2.93Å; T1545-I1547 PolarHBondContact OG1-O 2.98Å; T1545-V1550 HydrophobicContact CG2-CB 4.2Å; T1545-V1550 HydrophobicContact CG2-CG1 3.58Å; T1545-V1550 HydrophobicContact CG2-CG2 3.52Å; T1545-V1550 WeakPolarHBondContact OG1-CG2 3.44Å; T1545-W1693 HydrophobicContact CG2-CH2 4.38Å; T1545-W1693 HydrophobicContact CG2-CZ2 3.67Å; T1545-E1695 WeakPolarHBondContact CA-OE1 3.21Å; T1545-E1695 WeakPolarHBondContact CB-OE1 3.42Å | ||
| 1546 | R | 60.8 | Low | 66.3 | Low | 100 Ų | 100 | 90.5 Ų | 90.5 | 38% | 0.377 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -95.5 | 1 | 171 | -81.3 | 177.4 | -84.4 | 175.6 | -17.8 | 114 | S1582 H1633 E1695 | R1546-S1582 PolarHBondContact NH2-OG 3.48Å; R1546-H1633 VanDerWaalsContact CZ-NE2 3.26Å; R1546-H1633 PolarHBondContact NH1-CD2 3.05Å; R1546-H1633 PolarHBondContact NH1-CE1 3.15Å; R1546-H1633 VanDerWaalsContact NH1-CE1 3.34Å; R1546-H1633 VanDerWaalsContact NH1-CG 3.25Å; R1546-H1633 PolarHBondContact NH1-ND1 3.49Å; R1546-H1633 PolarHBondContact NH1-NE2 3.42Å; R1546-H1633 VanDerWaalsContact NH1-NE2 3.12Å; R1546-H1633 PolarHBondContact NH2-NE2 2.85Å; R1546-H1633 VanDerWaalsContact NH2-NE2 3.19Å; R1546-E1695 PolarHBondContact N-OE2 3.24Å |
| 1547 | I | 65.7 | Low | 66.5 | Low | 33 Ų | 33 | 91.2 Ų | 91.2 | 17% | 0.169 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -81.1 | 127.1 | -179 | -57.7 | 154 | 0 | 0 | 0 | 108.7 | T1545 V1550 P1563 Y1682 E1695 | T1545-I1547 PolarHBondContact OG1-N 2.93Å; T1545-I1547 PolarHBondContact OG1-O 2.98Å; I1547-V1550 WeakPolarHBondContact O-CG2 3.41Å; I1547-P1563 HydrophobicContact CD1-CB 4.36Å; I1547-P1563 HydrophobicContact CD1-CG 3.58Å; I1547-Y1682 HydrophobicContact CD1-CD2 4.19Å; I1547-Y1682 HydrophobicContact CD1-CG 4.43Å; I1547-E1695 HydrophobicContact CD1-CG 3.95Å; I1547-E1695 VanDerWaalsContact CD1-OE1 3.26Å; I1547-E1695 WeakPolarHBondContact CD1-OE1 3.39Å; I1547-E1695 HydrophobicContact CG1-CG 4.48Å |
| 1548 | P | 62.3 | Low | 66.8 | Low | 105 Ų | 105 | 86.9 Ų | 86.9 | 68% | 0.682 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -66.9 | 149 | 168.9 | 28.4 | -33.2 | 0 | 0 | 0 | 110.5 | ||
| 1549 | N | 66.4 | Low | 67.5 | Low | 160 Ų | 160 | 80.6 Ų | 80.6 | 86% | 0.856 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 67.2 | 44 | -179.1 | -50.8 | -19.5 | 0 | 0 | 0 | 115.2 | ||
| 1550 | V | 65.8 | Low | 68.4 | Low | 61 Ų | 61 | 78 Ų | 78 | 37% | 0.37 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 132.5 | 171.7 | -166.3 | 0 | 0 | 0 | 0 | 110.8 | T1545 I1547 | T1545-V1550 HydrophobicContact CG2-CB 4.2Å; T1545-V1550 HydrophobicContact CG2-CG1 3.58Å; T1545-V1550 HydrophobicContact CG2-CG2 3.52Å; T1545-V1550 WeakPolarHBondContact OG1-CG2 3.44Å; I1547-V1550 WeakPolarHBondContact O-CG2 3.41Å |
| 1551 | P | 70.7 | Confident | 69.2 | Low | 30 Ų | 30 | 77.8 Ų | 77.8 | 20% | 0.195 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 139.5 | 169.7 | 25.8 | -32.4 | 0 | 0 | 0 | 110.8 | R1561 | P1551-R1561 HydrophobicContact CB-CB 4.04Å; P1551-R1561 HydrophobicContact CG-CB 3.76Å |
| 1552 | S | 73 | Confident | 70.3 | Confident | 78 Ų | 78 | 71 Ų | 71 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 146.4 | 179 | 62 | 0 | 0 | 0 | 0 | 111.6 | R1561 | S1552-R1561 WeakPolarHBondContact O-CD 3.19Å; S1552-R1561 WeakPolarHBondContact O-CG 3.25Å |
| 1553 | P | 74.7 | Confident | 71.3 | Confident | 80 Ų | 80 | 67.8 Ų | 67.8 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 153.4 | 171.5 | -25.8 | 34.5 | 0 | 0 | 0 | 112.4 | C1559 | P1553-C1559 CarbonylContact C-O 3.55Å; P1553-C1559 WeakPolarHBondContact CA-O 3.35Å |
| 1554 | D | 73.3 | Confident | 72.1 | Confident | 26 Ų | 26 | 67.4 Ų | 67.4 | 14% | 0.139 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 121.6 | -177.6 | -176.8 | 64.4 | 0 | 0 | 0 | 111.1 | I1556 T1557 G1558 C1559 R1561 | D1554-I1556 PolarHBondContact O-N 3.31Å; D1554-I1556 VanDerWaalsContact O-N 3.08Å; D1554-T1557 WeakPolarHBondContact CB-OG1 3.39Å; D1554-T1557 PolarHBondContact O-N 2.89Å; D1554-T1557 PolarHBondContact OD2-N 3.32Å; D1554-T1557 PolarHBondContact OD2-OG1 3.16Å; D1554-G1558 WeakPolarHBondContact O-CA 3.32Å; D1554-G1558 PolarHBondContact O-N 2.76Å; D1554-C1559 PolarHBondContact N-O 3.06Å; D1554-R1561 HydrophobicContact CB-CG 4.37Å; D1554-R1561 IonicContact OD1-CZ 3.59Å; D1554-R1561 IonicContact OD1-NE 3.79Å; D1554-R1561 IonicContact OD1-NH2 2.77Å; D1554-R1561 PolarHBondContact OD1-NH2 2.91Å |
| 1555 | P | 69.8 | Low | 73.3 | Confident | 111 Ų | 111 | 57.1 Ų | 57.1 | 72% | 0.721 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -9.1 | -167.5 | 28.4 | -35.2 | 0 | 0 | 0 | 114.2 | ||
| 1556 | I | 70.3 | Confident | 74 | Confident | 151 Ų | 151 | 58 Ų | 58 | 77% | 0.774 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -43.3 | 176.5 | -58.5 | 175.6 | 0 | 0 | 0 | 110.8 | D1554 | D1554-I1556 PolarHBondContact O-N 3.31Å; D1554-I1556 VanDerWaalsContact O-N 3.08Å |
| 1557 | T | 72.2 | Confident | 74.9 | Confident | 78 Ų | 78 | 53.2 Ų | 53.2 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -15 | -171.7 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | F1532 D1554 C1559 | F1532-T1557 WeakPolarHBondContact CD1-O 3.37Å; D1554-T1557 WeakPolarHBondContact CB-OG1 3.39Å; D1554-T1557 PolarHBondContact O-N 2.89Å; D1554-T1557 PolarHBondContact OD2-N 3.32Å; D1554-T1557 PolarHBondContact OD2-OG1 3.16Å; T1557-C1559 PolarHBondContact O-N 3.43Å; T1557-C1559 VanDerWaalsContact O-N 3.17Å |
| 1558 | G | 75 | Confident | 75.3 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | trans | 71.2 | -6.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1532 D1554 | F1532-G1558 WeakPolarHBondContact CE1-O 3.42Å; F1532-G1558 WeakPolarHBondContact CZ-O 3.13Å; D1554-G1558 WeakPolarHBondContact O-CA 3.32Å; D1554-G1558 PolarHBondContact O-N 2.76Å | ||
| 1559 | C | 78.8 | Confident | 76 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | trans | -64.2 | 141.2 | -175.2 | -63 | 0 | 0 | 0 | 0 | 111.3 | F1532 P1553 D1554 T1557 N1691 | F1532-C1559 VanDerWaalsContact CB-SG 3.5Å; F1532-C1559 HydrophobicContact CD2-CB 4.45Å; F1532-C1559 HydrophobicContact CG-CB 4.44Å; F1532-C1559 WeakPolarHBondContact CG-SG 3.34Å; P1553-C1559 CarbonylContact C-O 3.55Å; P1553-C1559 WeakPolarHBondContact CA-O 3.35Å; D1554-C1559 PolarHBondContact N-O 3.06Å; T1557-C1559 PolarHBondContact O-N 3.43Å; T1557-C1559 VanDerWaalsContact O-N 3.17Å; C1559-N1691 HydrophobicContact CB-CB 4.28Å; C1559-N1691 WeakPolarHBondContact CB-ND2 3.38Å | ||
| 1560 | P | 83.2 | Confident | 76.7 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 8% | 0.078 | 26% | 0.262 | C | S | . | . | trans | -59.4 | 150.8 | 171.9 | 25.4 | -33.7 | 0 | 0 | 0 | 110.5 | F1532 F1543 W1578 N1691 W1693 | F1532-P1560 VanDerWaalsContact CE2-CD 3.4Å; F1543-P1560 HydrophobicContact CD2-CG 4.32Å; F1543-P1560 HydrophobicContact CG-CG 4.46Å; P1560-W1578 HydrophobicContact CG-CB 4.33Å; P1560-N1691 WeakPolarHBondContact CG-O 3.46Å; P1560-N1691 WeakPolarHBondContact O-CA 3.25Å; P1560-N1691 PolarHBondContact O-ND2 3.34Å; P1560-W1693 HydrophobicContact CB-CH2 4.06Å; P1560-W1693 HydrophobicContact CB-CZ3 4.19Å | ||
| 1561 | R | 84.7 | Confident | 77.3 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 17% | 0.166 | 25% | 0.252 | C | S | . | . | trans | -106.3 | 132.3 | 178.2 | -72.5 | -167.2 | 179.4 | 162.3 | -7.9 | 110.8 | W1504 P1551 S1552 D1554 W1693 | W1504-R1561 HydrophobicContact CD2-CB 4.47Å; W1504-R1561 HydrophobicContact CD2-CG 4.44Å; W1504-R1561 HydrophobicContact CE3-CG 4.37Å; W1504-R1561 HydrophobicContact CH2-CB 4.11Å; W1504-R1561 HydrophobicContact CH2-CG 3.72Å; W1504-R1561 HydrophobicContact CZ2-CB 3.64Å; W1504-R1561 HydrophobicContact CZ2-CG 3.79Å; W1504-R1561 HydrophobicContact CZ3-CG 4Å; P1551-R1561 HydrophobicContact CB-CB 4.04Å; P1551-R1561 HydrophobicContact CG-CB 3.76Å; S1552-R1561 WeakPolarHBondContact O-CD 3.19Å; S1552-R1561 WeakPolarHBondContact O-CG 3.25Å; D1554-R1561 HydrophobicContact CB-CG 4.37Å; D1554-R1561 IonicContact OD1-CZ 3.59Å; D1554-R1561 IonicContact OD1-NE 3.79Å; D1554-R1561 IonicContact OD1-NH2 2.77Å; D1554-R1561 PolarHBondContact OD1-NH2 2.91Å; R1561-W1693 VanDerWaalsContact O-CH2 3.29Å; R1561-W1693 WeakPolarHBondContact O-CH2 3.32Å; R1561-W1693 WeakPolarHBondContact O-CZ3 3.3Å | ||
| 1562 | N | 85.2 | Confident | 77.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -60 | 122.3 | 177.4 | 177.9 | -18.7 | 0 | 0 | 0 | 111.2 | W1504 G1564 G1565 Y1682 T1689 D1690 W1693 | W1504-N1562 PolarHBondContact NE1-O 3.41Å; N1562-G1564 PolarHBondContact O-N 2.78Å; N1562-G1564 PolarHBondContact OD1-N 3.32Å; N1562-G1565 WeakPolarHBondContact CB-O 3.42Å; N1562-G1565 PolarHBondContact O-N 3.23Å; N1562-Y1682 PolarHBondContact ND2-OH 3.21Å; N1562-Y1682 WeakPolarHBondContact OD1-CE2 3.24Å; N1562-Y1682 PolarHBondContact OD1-OH 3.09Å; N1562-T1689 WeakPolarHBondContact CB-O 3.35Å; N1562-T1689 PolarHBondContact ND2-O 3.48Å; N1562-D1690 WeakPolarHBondContact CB-O 3.42Å; N1562-D1690 PolarHBondContact N-O 3.03Å; N1562-W1693 HydrophobicContact CB-CE3 4.01Å; N1562-W1693 HydrophobicContact CB-CZ3 4.41Å | ||
| 1563 | P | 83.5 | Confident | 78 | Confident | 32 Ų | 32 | 36.4 Ų | 36.4 | 21% | 0.208 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -16.5 | -175.8 | 26.7 | -33 | 0 | 0 | 0 | 114.1 | I1547 G1565 Y1682 W1693 | I1547-P1563 HydrophobicContact CD1-CB 4.36Å; I1547-P1563 HydrophobicContact CD1-CG 3.58Å; P1563-G1565 VanDerWaalsContact C-N 3.32Å; P1563-Y1682 HydrophobicContact CG-CD2 3.74Å; P1563-Y1682 HydrophobicContact CG-CE2 4.06Å; P1563-W1693 VanDerWaalsContact CD-CD2 3.49Å; P1563-W1693 HydrophobicContact CG-CD2 4.32Å; P1563-W1693 HydrophobicContact CG-CZ2 4.15Å |
| 1564 | G | 78.8 | Confident | 77.9 | Confident | 26 Ų | 26 | 33.6 Ų | 33.6 | 27% | 0.268 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -28.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1501 N1562 | P1501-G1564 VanDerWaalsContact CB-C 3.5Å; P1501-G1564 WeakPolarHBondContact CB-O 3.45Å; N1562-G1564 PolarHBondContact O-N 2.78Å; N1562-G1564 PolarHBondContact OD1-N 3.32Å |
| 1565 | G | 81.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | 129.3 | -175.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1502 N1562 P1563 | I1502-G1565 CarbonylContact O-C 3.59Å; I1502-G1565 WeakPolarHBondContact O-CA 3.22Å; N1562-G1565 WeakPolarHBondContact CB-O 3.42Å; N1562-G1565 PolarHBondContact O-N 3.23Å; P1563-G1565 VanDerWaalsContact C-N 3.32Å | ||
| 1566 | R | 79.4 | Confident | 78.4 | Confident | 45 Ų | 45 | 27.6 Ų | 27.6 | 17% | 0.17 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -73 | 122.8 | 170.7 | -84.4 | 174.5 | 160.2 | 140.4 | 4.2 | 110.7 | F1498 P1501 I1502 W1504 D1690 | F1498-R1566 HydrophobicContact CE2-CB 4.47Å; P1501-R1566 CarbonylContact C-O 3.59Å; P1501-R1566 VanDerWaalsContact CA-O 3.31Å; P1501-R1566 WeakPolarHBondContact CA-O 3.39Å; I1502-R1566 PolarHBondContact N-O 3.3Å; I1502-R1566 PolarHBondContact O-N 2.73Å; W1504-R1566 HydrophobicContact CD2-CG 3.94Å; W1504-R1566 HydrophobicContact CE3-CG 3.68Å; W1504-R1566 HydrophobicContact CH2-CG 3.56Å; W1504-R1566 HydrophobicContact CZ2-CG 3.8Å; W1504-R1566 HydrophobicContact CZ3-CG 3.52Å; R1566-D1690 WeakPolarHBondContact CA-OD1 3.4Å |
| 1567 | T | 78.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -86.6 | -12.1 | 163.9 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | R1496 L1497 F1498 P1501 N1688 T1689 D1690 | R1496-T1567 WeakPolarHBondContact CA-O 3.43Å; L1497-T1567 PolarHBondContact N-O 3.13Å; F1498-T1567 PolarHBondContact N-O 3.44Å; P1501-T1567 HydrophobicContact CB-CG2 4.39Å; P1501-T1567 HydrophobicContact CG-CG2 4.12Å; T1567-N1688 PolarHBondContact OG1-O 3.2Å; T1567-T1689 VanDerWaalsContact OG1-C 3.3Å; T1567-T1689 WeakPolarHBondContact OG1-CA 3.37Å; T1567-D1690 PolarHBondContact N-OD1 2.93Å; T1567-D1690 PolarHBondContact OG1-N 3.15Å; T1567-D1690 PolarHBondContact OG1-OD1 3.2Å | ||
| 1568 | G | 74.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 83 | 20.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | C1513 L1514 D1690 | C1513-G1568 CarbonylContact C-O 3.5Å; C1513-G1568 WeakPolarHBondContact CA-O 3.32Å; L1514-G1568 PolarHBondContact N-O 2.92Å; G1568-D1690 PolarHBondContact N-OD1 3.48Å |
| 1569 | V | 77.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | B | Isolated β-bridge | trans | -124.5 | 112.3 | 178.1 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | P1495 L1514 W1516 T1689 D1690 | P1495-V1569 WeakPolarHBondContact O-CG2 3.46Å; L1514-V1569 HydrophobicContact CB-CG2 4.48Å; W1516-V1569 HydrophobicContact CB-CG1 3.86Å; W1516-V1569 HydrophobicContact CE3-CG1 3.96Å; V1569-T1689 HydrophobicContact CB-CG2 4.36Å; V1569-T1689 HydrophobicContact CG1-CG2 3.94Å; V1569-T1689 WeakPolarHBondContact O-CB 3.3Å; V1569-D1690 PolarHBondContact N-OD2 2.85Å; V1569-D1690 VanDerWaalsContact O-CB 3.25Å; V1569-D1690 WeakPolarHBondContact O-CB 3.42Å; V1569-D1690 PolarHBondContact O-N 3.06Å |
| 1570 | N | 80.2 | Confident | 80.1 | Confident | 79 Ų | 79 | 16.9 Ų | 16.9 | 42% | 0.422 | 10% | 0.097 | S | C | . | . | trans | -83.3 | 145.6 | 176.9 | -83 | -20.2 | 0 | 0 | 0 | 111.2 | C1513 L1514 D1690 | C1513-N1570 HydrophobicContact CB-CB 4.24Å; C1513-N1570 WeakPolarHBondContact CB-ND2 3.42Å; L1514-N1570 PolarHBondContact O-N 3.02Å; L1514-N1570 VanDerWaalsContact O-N 3.12Å; N1570-D1690 PolarHBondContact OD1-OD2 3.42Å | ||
| 1571 | G | 79.1 | Confident | 80.2 | Confident | 16 Ų | 16 | 16.4 Ų | 16.4 | 17% | 0.165 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 104.3 | -175.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1689 N1691 | G1571-T1689 VanDerWaalsContact O-CB 3.24Å; G1571-T1689 WeakPolarHBondContact O-CB 3.48Å; G1571-T1689 PolarHBondContact O-OG1 3.1Å; G1571-N1691 PolarHBondContact N-OD1 2.86Å |
| 1572 | K | 78.6 | Confident | 80.1 | Confident | 11 Ų | 11 | 15.6 Ų | 15.6 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | trans | -84.1 | -17.2 | -172 | 174.4 | 171.9 | 158.9 | 177.3 | 0 | 115.2 | E1528 L1575 P1576 W1578 A1692 | E1528-K1572 PolarHBondContact O-NZ 3.33Å; K1572-L1575 WeakPolarHBondContact CE-O 3.38Å; K1572-L1575 WeakPolarHBondContact CG-O 3.45Å; K1572-P1576 WeakPolarHBondContact CE-O 3.4Å; K1572-P1576 VanDerWaalsContact NZ-C 3.33Å; K1572-P1576 PolarHBondContact NZ-O 3.16Å; K1572-W1578 HydrophobicContact CB-CD2 3.84Å; K1572-W1578 HydrophobicContact CB-CE3 4.14Å; K1572-W1578 HydrophobicContact CB-CG 4.34Å; K1572-W1578 HydrophobicContact CB-CH2 4.35Å; K1572-W1578 HydrophobicContact CB-CZ2 4.05Å; K1572-W1578 HydrophobicContact CB-CZ3 4.39Å; K1572-W1578 HydrophobicContact CD-CD2 4.27Å; K1572-W1578 HydrophobicContact CD-CG 4.03Å; K1572-W1578 HydrophobicContact CG-CD2 4.44Å; K1572-W1578 HydrophobicContact CG-CG 4.44Å; K1572-A1692 WeakPolarHBondContact O-CB 3.19Å | ||
| 1573 | G | 78.3 | Confident | 80.1 | Confident | 7 Ų | 7 | 15.6 Ų | 15.6 | 7% | 0.072 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -143.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1518 L1575 | P1518-G1573 VanDerWaalsContact CG-C 3.41Å; P1518-G1573 WeakPolarHBondContact CG-O 3.18Å; G1573-L1575 VanDerWaalsContact C-N 3.35Å |
| 1574 | H | 73.7 | Confident | 80.1 | Confident | 21 Ų | 21 | 14.1 Ų | 14.1 | 10% | 0.097 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -5.1 | 178 | -68.2 | -68.2 | 0 | 0 | 0 | 114.6 | D1492 W1516 P1518 Y1521 I1687 | D1492-H1574 IonicContact OD1-NE2 3.49Å; W1516-H1574 AromaticContact CH2-CD2 3.39Å; W1516-H1574 WeakPolarHBondContact CH2-CD2 3.39Å; W1516-H1574 AromaticContact CH2-NE2 3.43Å; W1516-H1574 WeakPolarHBondContact CH2-NE2 3.39Å; W1516-H1574 AromaticContact CZ2-NE2 3.56Å; P1518-H1574 WeakPolarHBondContact CB-CE1 3.42Å; Y1521-H1574 AromaticContact CE2-ND1 3.82Å; H1574-I1687 HydrophobicContact CB-CG2 4.43Å |
| 1575 | L | 78.5 | Confident | 80.4 | Confident | 5 Ų | 5 | 13.1 Ų | 13.1 | 3% | 0.026 | 7% | 0.074 | C | C | . | . | trans | -75.1 | 148.6 | -174 | -66.1 | 171.7 | 0 | 0 | 0 | 111.6 | K1572 G1573 N1581 I1687 A1692 I1694 | K1572-L1575 WeakPolarHBondContact CE-O 3.38Å; K1572-L1575 WeakPolarHBondContact CG-O 3.45Å; G1573-L1575 VanDerWaalsContact C-N 3.35Å; L1575-N1581 HydrophobicContact CD2-CB 4.27Å; L1575-I1687 HydrophobicContact CD1-CG2 4.34Å; L1575-I1687 HydrophobicContact CD2-CG2 3.75Å; L1575-I1687 HydrophobicContact CG-CG2 3.78Å; L1575-A1692 HydrophobicContact CB-CB 4.29Å; L1575-A1692 HydrophobicContact CD1-CB 3.75Å; L1575-I1694 HydrophobicContact CD1-CG1 4.29Å; L1575-I1694 HydrophobicContact CD2-CD1 4.2Å; L1575-I1694 HydrophobicContact CD2-CG1 3.76Å | ||
| 1576 | P | 75.7 | Confident | 80.5 | Confident | 6 Ų | 6 | 13.2 Ų | 13.2 | 4% | 0.039 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -78.1 | -21 | -174.8 | 29.3 | -36.9 | 0 | 0 | 0 | 115.4 | I1523 W1526 T1527 E1528 K1572 N1581 L1624 | I1523-P1576 HydrophobicContact CD1-CB 4.02Å; I1523-P1576 HydrophobicContact CD1-CG 4.39Å; W1526-P1576 HydrophobicContact CD2-CB 4.44Å; W1526-P1576 HydrophobicContact CD2-CG 4.49Å; W1526-P1576 HydrophobicContact CZ2-CG 4.03Å; T1527-P1576 WeakPolarHBondContact CA-O 3.37Å; E1528-P1576 PolarHBondContact N-O 3.32Å; E1528-P1576 VanDerWaalsContact N-O 3.14Å; K1572-P1576 WeakPolarHBondContact CE-O 3.4Å; K1572-P1576 VanDerWaalsContact NZ-C 3.33Å; K1572-P1576 PolarHBondContact NZ-O 3.16Å; P1576-N1581 WeakPolarHBondContact CD-OD1 3.15Å; P1576-N1581 WeakPolarHBondContact CG-OD1 3.46Å; P1576-L1624 HydrophobicContact CG-CD1 4.18Å |
| 1577 | E | 78.8 | Confident | 80.9 | Confident | 25 Ų | 25 | 11 Ų | 11 | 12% | 0.117 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -127.2 | 154.5 | 175.2 | -66 | 179.6 | 128.8 | 0 | 0 | 110.1 | W1526 E1528 R1539 N1581 Q1626 | W1526-E1577 PolarHBondContact NE1-OE2 3.2Å; W1526-E1577 VanDerWaalsContact NE1-OE2 3.08Å; E1528-E1577 HydrophobicContact CG-CG 4.26Å; E1528-E1577 WeakPolarHBondContact OE2-CA 3.13Å; R1539-E1577 IonicContact CZ-OE1 3.79Å; R1539-E1577 IonicContact NH1-OE1 3.67Å; R1539-E1577 PolarHBondContact NH1-OE1 2.82Å; R1539-E1577 IonicContact NH2-OE1 2.65Å; R1539-E1577 PolarHBondContact NH2-OE1 2.8Å; R1539-E1577 VanDerWaalsContact NH2-OE1 3.07Å; E1577-N1581 PolarHBondContact N-OD1 3.04Å; E1577-N1581 PolarHBondContact O-ND2 3.44Å; E1577-N1581 PolarHBondContact O-OD1 2.95Å; E1577-Q1626 PolarHBondContact OE1-NE2 3Å |
| 1578 | W | 82.5 | Confident | 81.3 | Confident | 10 Ų | 10 | 11.2 Ų | 11.2 | 4% | 0.038 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -71.2 | 156 | 169.7 | -67.7 | 81.7 | 0 | 0 | 0 | 110 | E1528 P1529 G1530 F1532 L1535 F1543 P1560 K1572 N1691 | E1528-W1578 PolarHBondContact OE2-N 3.34Å; P1529-W1578 PolarHBondContact O-NE1 3.21Å; G1530-W1578 WeakPolarHBondContact O-CZ2 3.4Å; F1532-W1578 HydrophobicContact CB-CH2 3.9Å; F1532-W1578 HydrophobicContact CB-CZ2 3.88Å; F1532-W1578 HydrophobicContact CB-CZ3 4.25Å; F1532-W1578 HydrophobicContact CD2-CB 4.47Å; F1532-W1578 AromaticContact CD2-CD2 3.71Å; F1532-W1578 HydrophobicContact CD2-CD2 3.71Å; F1532-W1578 AromaticContact CD2-CE3 3.84Å; F1532-W1578 HydrophobicContact CD2-CE3 3.84Å; F1532-W1578 HydrophobicContact CD2-CG 4.01Å; F1532-W1578 HydrophobicContact CD2-CZ3 4.29Å; F1532-W1578 HydrophobicContact CE2-CB 4.46Å; F1532-W1578 HydrophobicContact CE2-CD2 4.5Å; F1532-W1578 HydrophobicContact CE2-CG 4.45Å; F1532-W1578 VanDerWaalsContact N-CZ2 3.34Å; L1535-W1578 HydrophobicContact CD1-CG 4.3Å; F1543-W1578 HydrophobicContact CD1-CB 4.27Å; F1543-W1578 WeakPolarHBondContact CD1-O 3.26Å; F1543-W1578 HydrophobicContact CE1-CB 3.68Å; F1543-W1578 VanDerWaalsContact CE1-O 3.31Å; F1543-W1578 WeakPolarHBondContact CE1-O 3.11Å; F1543-W1578 HydrophobicContact CE2-CB 4.17Å; F1543-W1578 HydrophobicContact CZ-CB 3.64Å; F1543-W1578 HydrophobicContact CZ-CG 4.39Å; P1560-W1578 HydrophobicContact CG-CB 4.33Å; K1572-W1578 HydrophobicContact CB-CD2 3.84Å; K1572-W1578 HydrophobicContact CB-CE3 4.14Å; K1572-W1578 HydrophobicContact CB-CG 4.34Å; K1572-W1578 HydrophobicContact CB-CH2 4.35Å; K1572-W1578 HydrophobicContact CB-CZ2 4.05Å; K1572-W1578 HydrophobicContact CB-CZ3 4.39Å; K1572-W1578 HydrophobicContact CD-CD2 4.27Å; K1572-W1578 HydrophobicContact CD-CG 4.03Å; K1572-W1578 HydrophobicContact CG-CD2 4.44Å; K1572-W1578 HydrophobicContact CG-CG 4.44Å; W1578-N1691 HydrophobicContact CE3-CB 3.72Å; W1578-N1691 HydrophobicContact CZ3-CB 3.71Å |
| 1579 | G | 84.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.9 | -133 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1581 N1691 A1692 W1693 | G1579-N1581 PolarHBondContact O-N 2.97Å; G1579-N1581 PolarHBondContact O-ND2 3.38Å; G1579-N1691 WeakPolarHBondContact CA-O 3.34Å; G1579-N1691 PolarHBondContact N-O 2.95Å; G1579-A1692 WeakPolarHBondContact O-CA 3.28Å; G1579-W1693 PolarHBondContact O-N 3.36Å |
| 1580 | A | 84.8 | Confident | 81.9 | Confident | 16 Ų | 16 | 13.7 Ų | 13.7 | 13% | 0.132 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 110.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | W1693 E1695 | A1580-W1693 HydrophobicContact CB-CZ2 4.1Å; A1580-E1695 HydrophobicContact CB-CG 4.33Å; A1580-E1695 WeakPolarHBondContact CB-OE1 3.39Å |
| 1581 | N | 84.7 | Confident | 81.6 | Confident | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.011 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 111 | 175.9 | -71.9 | -105.4 | 0 | 0 | 0 | 109.7 | L1575 P1576 E1577 G1579 L1624 W1693 E1695 | L1575-N1581 HydrophobicContact CD2-CB 4.27Å; P1576-N1581 WeakPolarHBondContact CD-OD1 3.15Å; P1576-N1581 WeakPolarHBondContact CG-OD1 3.46Å; E1577-N1581 PolarHBondContact N-OD1 3.04Å; E1577-N1581 PolarHBondContact O-ND2 3.44Å; E1577-N1581 PolarHBondContact O-OD1 2.95Å; G1579-N1581 PolarHBondContact O-N 2.97Å; G1579-N1581 PolarHBondContact O-ND2 3.38Å; N1581-L1624 HydrophobicContact CB-CD2 4.38Å; N1581-W1693 WeakPolarHBondContact CB-O 3.42Å; N1581-W1693 PolarHBondContact N-O 3Å; N1581-E1695 PolarHBondContact O-N 3.32Å |
| 1582 | S | 84.5 | Confident | 81 | Confident | 26 Ų | 26 | 16.6 Ų | 16.6 | 18% | 0.182 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 131.4 | -178.6 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | R1546 V1625 | R1546-S1582 PolarHBondContact NH2-OG 3.48Å; S1582-V1625 WeakPolarHBondContact CB-O 3.47Å; S1582-V1625 PolarHBondContact O-N 3.44Å |
| 1583 | A | 83.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 162.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1622 F1623 L1624 I1694 E1695 P1696 T1697 | A1583-W1622 HydrophobicContact CB-CE3 4.5Å; A1583-F1623 CarbonylContact C-O 3.59Å; A1583-F1623 WeakPolarHBondContact CA-O 3.43Å; A1583-L1624 HydrophobicContact CB-CD2 4.23Å; A1583-I1694 HydrophobicContact CB-CG2 3.73Å; A1583-E1695 PolarHBondContact N-O 2.81Å; A1583-P1696 HydrophobicContact CB-CB 4.35Å; A1583-P1696 CarbonylContact O-C 3.58Å; A1583-P1696 WeakPolarHBondContact O-CA 3.3Å; A1583-T1697 PolarHBondContact O-N 3.47Å |
| 1584 | I | 83.8 | Confident | 79 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.6 | 167.5 | -63.2 | 175.6 | 0 | 0 | 0 | 107.5 | W1622 F1623 V1625 V1637 I1640 F1641 T1697 V1699 | I1584-W1622 CarbonylContact O-C 3.42Å; I1584-W1622 WeakPolarHBondContact O-CA 3.33Å; I1584-F1623 PolarHBondContact N-O 3.15Å; I1584-F1623 PolarHBondContact O-N 3.34Å; I1584-V1625 HydrophobicContact CD1-CG2 3.76Å; I1584-V1625 HydrophobicContact CG1-CG2 3.9Å; I1584-V1637 HydrophobicContact CD1-CG2 3.88Å; I1584-V1637 HydrophobicContact CG1-CG2 4.45Å; I1584-I1640 HydrophobicContact CD1-CD1 4.23Å; I1584-F1641 HydrophobicContact CG2-CE2 4.18Å; I1584-F1641 HydrophobicContact CG2-CZ 3.83Å; I1584-T1697 WeakPolarHBondContact CA-O 3.49Å; I1584-V1699 HydrophobicContact CG2-CG2 3.94Å |
| 1585 | I | 85.7 | Confident | 77.8 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 125 | 172.2 | -60.2 | 176.4 | 0 | 0 | 0 | 107.7 | L1620 W1622 L1683 P1696 T1697 V1698 V1699 I1742 | I1585-L1620 HydrophobicContact CG2-CB 4.05Å; I1585-L1620 HydrophobicContact CG2-CD1 4.22Å; I1585-W1622 HydrophobicContact CB-CB 4.49Å; I1585-W1622 HydrophobicContact CG1-CB 3.91Å; I1585-L1683 HydrophobicContact CD1-CD2 4.11Å; I1585-P1696 HydrophobicContact CD1-CB 3.52Å; I1585-P1696 HydrophobicContact CD1-CG 4.05Å; I1585-P1696 HydrophobicContact CG1-CB 3.79Å; I1585-T1697 PolarHBondContact N-O 3.03Å; I1585-V1698 HydrophobicContact CB-CG2 4.31Å; I1585-V1698 HydrophobicContact CD1-CG2 4.44Å; I1585-V1698 CarbonylContact O-C 3.58Å; I1585-V1698 WeakPolarHBondContact O-CA 3.36Å; I1585-V1699 PolarHBondContact O-N 3.44Å; I1585-I1742 HydrophobicContact CD1-CD1 3.63Å |
| 1586 | L | 84.4 | Confident | 76.2 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 116.7 | -177.6 | 176.9 | 65.5 | 0 | 0 | 0 | 110.5 | I1588 P1621 F1641 V1699 L1717 | L1586-I1588 HydrophobicContact CD1-CD1 4.41Å; L1586-I1588 HydrophobicContact CD1-CG1 4.11Å; L1586-I1588 HydrophobicContact CD2-CD1 3.81Å; L1586-I1588 HydrophobicContact CD2-CG1 4.33Å; L1586-I1588 HydrophobicContact CG-CD1 4.06Å; L1586-I1588 HydrophobicContact CG-CG1 4.02Å; L1586-P1621 HydrophobicContact CB-CB 4.35Å; L1586-P1621 PolarHBondContact N-O 3.42Å; L1586-F1641 HydrophobicContact CB-CE1 4.47Å; L1586-F1641 HydrophobicContact CB-CZ 4.19Å; L1586-F1641 HydrophobicContact CD1-CE1 4.3Å; L1586-F1641 HydrophobicContact CD1-CZ 3.89Å; L1586-F1641 HydrophobicContact CD2-CE1 3.84Å; L1586-F1641 HydrophobicContact CD2-CZ 4.22Å; L1586-F1641 HydrophobicContact CG-CE1 4.44Å; L1586-F1641 HydrophobicContact CG-CZ 4.32Å; L1586-V1699 WeakPolarHBondContact CA-O 3.5Å; L1586-V1699 HydrophobicContact CD1-CG1 4.23Å; L1586-L1717 HydrophobicContact CD2-CD2 4.43Å |
| 1587 | V | 86.8 | Confident | 74.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 113.1 | 173.3 | -170.6 | 0 | 0 | 0 | 0 | 109.1 | T1589 V1609 L1620 V1698 V1699 H1700 K1701 I1742 V1746 | V1587-T1589 HydrophobicContact CG1-CG2 3.96Å; V1587-V1609 HydrophobicContact CG1-CG1 4.24Å; V1587-L1620 HydrophobicContact CG2-CD1 4.1Å; V1587-V1698 HydrophobicContact CG2-CG1 3.96Å; V1587-V1699 PolarHBondContact N-O 3.14Å; V1587-H1700 WeakPolarHBondContact O-CA 3.14Å; V1587-H1700 PolarHBondContact O-CD2 3.41Å; V1587-K1701 PolarHBondContact O-N 2.94Å; V1587-I1742 HydrophobicContact CG2-CG2 4.41Å; V1587-V1746 HydrophobicContact CG1-CG1 4.26Å; V1587-V1746 HydrophobicContact CG1-CG2 4.28Å; V1587-V1746 HydrophobicContact CG2-CG2 4.36Å |
| 1588 | I | 86 | Confident | 72.5 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.4 | 173 | -64.6 | 165.6 | 0 | 0 | 0 | 108.6 | L1586 V1609 I1610 F1670 K1701 I1703 L1717 W1726 | L1586-I1588 HydrophobicContact CD1-CD1 4.41Å; L1586-I1588 HydrophobicContact CD1-CG1 4.11Å; L1586-I1588 HydrophobicContact CD2-CD1 3.81Å; L1586-I1588 HydrophobicContact CD2-CG1 4.33Å; L1586-I1588 HydrophobicContact CG-CD1 4.06Å; L1586-I1588 HydrophobicContact CG-CG1 4.02Å; I1588-V1609 WeakPolarHBondContact O-CA 3.47Å; I1588-I1610 HydrophobicContact CB-CB 4.42Å; I1588-I1610 HydrophobicContact CB-CD1 3.94Å; I1588-I1610 HydrophobicContact CB-CG1 4.1Å; I1588-I1610 HydrophobicContact CD1-CD1 4.03Å; I1588-I1610 HydrophobicContact CG2-CD1 3.75Å; I1588-I1610 HydrophobicContact CG2-CG1 4.11Å; I1588-I1610 PolarHBondContact O-N 3.21Å; I1588-I1610 VanDerWaalsContact O-N 3.12Å; I1588-F1670 HydrophobicContact CD1-CE2 3.87Å; I1588-F1670 HydrophobicContact CD1-CZ 4.11Å; I1588-K1701 WeakPolarHBondContact CA-O 3.3Å; I1588-K1701 HydrophobicContact CG1-CB 4.49Å; I1588-I1703 HydrophobicContact CG2-CD1 3.94Å; I1588-I1703 HydrophobicContact CG2-CG1 4.2Å; I1588-L1717 HydrophobicContact CD1-CD1 3.32Å; I1588-W1726 HydrophobicContact CG2-CH2 3.86Å; I1588-W1726 HydrophobicContact CG2-CZ3 4.39Å |
| 1589 | T | 85.6 | Confident | 70.4 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.1 | -178.1 | 60.1 | 0 | 0 | 0 | 0 | 111.2 | V1587 K1608 V1609 H1700 K1701 H1702 I1703 V1746 I1750 | V1587-T1589 HydrophobicContact CG1-CG2 3.96Å; T1589-K1608 CarbonylContact C-O 3.58Å; T1589-K1608 WeakPolarHBondContact CA-O 3.18Å; T1589-V1609 HydrophobicContact CG2-CG2 3.78Å; T1589-H1700 PolarHBondContact OG1-NE2 2.8Å; T1589-K1701 PolarHBondContact N-O 2.99Å; T1589-H1702 WeakPolarHBondContact O-CA 3.44Å; T1589-H1702 PolarHBondContact O-ND1 3.09Å; T1589-H1702 PolarHBondContact OG1-ND1 3.3Å; T1589-I1703 PolarHBondContact O-N 3.23Å; T1589-V1746 HydrophobicContact CG2-CG1 4.44Å; T1589-I1750 HydrophobicContact CG2-CD1 4.23Å |
| 1590 | R | 79.7 | Confident | 68.2 | Low | 51 Ų | 51 | 65.7 Ų | 65.7 | 19% | 0.192 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 162.9 | 167.4 | 70.5 | 177.8 | 175.1 | 131.2 | 1.7 | 111 | L1607 K1608 I1703 H1710 W1726 | R1590-L1607 WeakPolarHBondContact O-CA 3.25Å; R1590-K1608 HydrophobicContact CG-CB 4.05Å; R1590-K1608 PolarHBondContact N-O 2.74Å; R1590-K1608 PolarHBondContact O-N 3.02Å; R1590-I1703 HydrophobicContact CB-CB 4.31Å; R1590-H1710 PolarHBondContact NH1-CD2 3.3Å; R1590-H1710 PolarHBondContact NH1-NE2 3.18Å; R1590-W1726 HydrophobicContact CB-CH2 4.08Å; R1590-W1726 HydrophobicContact CB-CZ3 4.14Å; R1590-W1726 HydrophobicContact CG-CD2 4.49Å; R1590-W1726 HydrophobicContact CG-CE3 3.96Å; R1590-W1726 HydrophobicContact CG-CH2 3.8Å; R1590-W1726 HydrophobicContact CG-CZ2 4.36Å; R1590-W1726 HydrophobicContact CG-CZ3 3.59Å |
| 1591 | R | 74.3 | Confident | 66.2 | Low | 135 Ų | 135 | 75.4 Ų | 75.4 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 150.1 | 168.9 | -76.8 | 177 | 161.6 | 158.3 | -9.5 | 111.2 | E1605 L1607 | R1591-E1605 IonicContact CZ-OE1 2.85Å; R1591-E1605 IonicContact CZ-OE2 2.91Å; R1591-E1605 IonicContact NE-OE1 2.72Å; R1591-E1605 IonicContact NE-OE2 3.48Å; R1591-E1605 PolarHBondContact NE-OE2 2.72Å; R1591-E1605 IonicContact NH2-OE1 3.23Å; R1591-E1605 PolarHBondContact NH2-OE1 3.45Å; R1591-E1605 IonicContact NH2-OE2 2.97Å; R1591-E1605 PolarHBondContact NH2-OE2 3.35Å; R1591-L1607 HydrophobicContact CG-CD2 4.46Å |
| 1592 | S | 66.7 | Low | 64.2 | Low | 20 Ų | 20 | 79.5 Ų | 79.5 | 14% | 0.14 | 39% | 0.392 | C | S | . | . | trans | -91.9 | 132.4 | 168.8 | -166.2 | 0 | 0 | 0 | 0 | 110.9 | E1594 A1606 K1608 | S1592-E1594 PolarHBondContact OG-OE2 3.07Å; S1592-A1606 WeakPolarHBondContact CB-O 3.21Å; S1592-A1606 PolarHBondContact N-O 3.36Å; S1592-K1608 VanDerWaalsContact OG-CE 3.27Å; S1592-K1608 WeakPolarHBondContact OG-CE 3.32Å; S1592-K1608 PolarHBondContact OG-NZ 3.47Å | ||
| 1593 | N | 58.7 | Low | 62.3 | Low | 121 Ų | 121 | 88.7 Ų | 88.7 | 65% | 0.647 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -87.4 | -0.6 | -179.5 | -70.6 | -6.4 | 0 | 0 | 0 | 113.8 | H1595 | N1593-H1595 PolarHBondContact O-N 3.39Š|
| 1594 | E | 55.3 | Low | 60.8 | Low | 131 Ų | 131 | 95 Ų | 95 | 61% | 0.612 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -3.4 | -163.4 | -72.9 | 155.5 | -179.2 | 0 | 0 | 115.8 | S1592 K1608 | S1592-E1594 PolarHBondContact OG-OE2 3.07Å; E1594-K1608 IonicContact OE1-NZ 2.59Å; E1594-K1608 PolarHBondContact OE1-NZ 3.43Å; E1594-K1608 IonicContact OE2-NZ 3.75Å; E1594-K1608 PolarHBondContact OE2-NZ 2.96Å |
| 1595 | H | 50 | Low | 59.4 | Low | 129 Ų | 129 | 99.4 Ų | 99.4 | 60% | 0.597 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 14.6 | -166.7 | -75.4 | -47.6 | 0 | 0 | 0 | 117.5 | N1593 S1597 | N1593-H1595 PolarHBondContact O-N 3.39Å; H1595-S1597 VanDerWaalsContact C-N 3.32Å; H1595-S1597 PolarHBondContact O-N 2.88Å |
| 1596 | L | 43.4 | Very low | 58.4 | Low | 172 Ų | 172 | 100.4 Ų | 100.4 | 90% | 0.901 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -75.4 | -3.5 | -175.5 | -99 | 119.4 | 0 | 0 | 0 | 116.6 | ||
| 1597 | S | 41.4 | Very low | 57.9 | Low | 101 Ų | 101 | 100.7 Ų | 100.7 | 71% | 0.706 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -109.7 | -39.3 | -166.6 | 51 | 0 | 0 | 0 | 0 | 118.2 | H1595 | H1595-S1597 VanDerWaalsContact C-N 3.32Å; H1595-S1597 PolarHBondContact O-N 2.88Å |
| 1598 | E | 36 | Very low | 57.7 | Low | 186 Ų | 186 | 102.1 Ų | 102.1 | 87% | 0.869 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -134 | 11.7 | -156.9 | -73.4 | -166.2 | 147.8 | 0 | 0 | 119.6 | ||
| 1599 | S | 37.4 | Very low | 57.6 | Low | 75 Ų | 75 | 102.1 Ų | 102.1 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | trans | -118.4 | 111.9 | 173.6 | 73.9 | 0 | 0 | 0 | 0 | 114.2 | Y1601 | S1599-Y1601 VanDerWaalsContact C-N 3.31Å; S1599-Y1601 PolarHBondContact O-N 3.21Å | ||
| 1600 | K | 39.5 | Very low | 57.6 | Low | 202 Ų | 202 | 102.2 Ų | 102.2 | 88% | 0.878 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -79.7 | -3.7 | 176.9 | -90.8 | -177.6 | 175 | 176.8 | 0 | 114.7 | ||
| 1601 | Y | 42.4 | Very low | 57.8 | Low | 219 Ų | 219 | 100 Ų | 100 | 86% | 0.859 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -125.6 | -6.7 | -161.9 | -75.5 | -74.2 | 0 | 0 | 0 | 117.5 | S1599 | S1599-Y1601 VanDerWaalsContact C-N 3.31Å; S1599-Y1601 PolarHBondContact O-N 3.21Å |
| 1602 | T | 42.5 | Very low | 58 | Low | 88 Ų | 88 | 94.1 Ų | 94.1 | 54% | 0.54 | 47% | 0.466 | S | S | . | . | trans | -139.3 | 106.8 | 179.1 | 44.6 | 0 | 0 | 0 | 0 | 112.2 | E1604 | T1602-E1604 PolarHBondContact O-N 2.97Š| ||
| 1603 | K | 45.9 | Very low | 58.2 | Low | 220 Ų | 220 | 100 Ų | 100 | 96% | 0.957 | 49% | 0.489 | S | S | * | . | trans | -93.6 | 59.9 | 179.8 | -67.5 | -176.7 | 177.1 | 179.2 | 0 | 112.3 | ||||
| 1604 | E | 51.6 | Low | 58.4 | Low | 132 Ų | 132 | 95.8 Ų | 95.8 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | trans | -117.9 | 128.7 | 174.4 | -63.7 | -166.8 | -173.8 | 0 | 0 | 110.4 | T1602 A1606 | T1602-E1604 PolarHBondContact O-N 2.97Å; E1604-A1606 PolarHBondContact O-N 3.48Å | ||
| 1605 | E | 53.9 | Low | 58.6 | Low | 94 Ų | 94 | 95.8 Ų | 95.8 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | trans | -73.6 | 115.4 | -178.6 | -66.9 | -174.1 | -168.4 | 0 | 0 | 110.8 | R1591 L1607 | R1591-E1605 IonicContact CZ-OE1 2.85Å; R1591-E1605 IonicContact CZ-OE2 2.91Å; R1591-E1605 IonicContact NE-OE1 2.72Å; R1591-E1605 IonicContact NE-OE2 3.48Å; R1591-E1605 PolarHBondContact NE-OE2 2.72Å; R1591-E1605 IonicContact NH2-OE1 3.23Å; R1591-E1605 PolarHBondContact NH2-OE1 3.45Å; R1591-E1605 IonicContact NH2-OE2 2.97Å; R1591-E1605 PolarHBondContact NH2-OE2 3.35Å; E1605-L1607 PolarHBondContact O-N 2.92Å | ||
| 1606 | A | 64 | Low | 58.9 | Low | 26 Ų | 26 | 96.2 Ų | 96.2 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | trans | -69 | 128 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1592 E1604 | S1592-A1606 WeakPolarHBondContact CB-O 3.21Å; S1592-A1606 PolarHBondContact N-O 3.36Å; E1604-A1606 PolarHBondContact O-N 3.48Å | ||
| 1607 | L | 74.5 | Confident | 59.9 | Low | 7 Ų | 7 | 89 Ų | 89 | 4% | 0.037 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132 | -175.8 | -67.6 | 167.7 | 0 | 0 | 0 | 110.8 | R1590 R1591 E1605 D1728 S1729 I1750 | R1590-L1607 WeakPolarHBondContact O-CA 3.25Å; R1591-L1607 HydrophobicContact CG-CD2 4.46Å; E1605-L1607 PolarHBondContact O-N 2.92Å; L1607-D1728 VanDerWaalsContact O-OD1 3.06Å; L1607-S1729 WeakPolarHBondContact O-CB 3.33Å; L1607-S1729 PolarHBondContact O-N 3.37Å; L1607-S1729 PolarHBondContact O-OG 3.45Å; L1607-I1750 HydrophobicContact CD1-CB 4.18Å; L1607-I1750 HydrophobicContact CD1-CD1 3.88Å; L1607-I1750 HydrophobicContact CD1-CG2 3.86Å; L1607-I1750 HydrophobicContact CD2-CG2 4.43Å |
| 1608 | K | 82 | Confident | 61.4 | Low | 30 Ų | 30 | 84.8 Ų | 84.8 | 13% | 0.13 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 141 | 172.6 | -68 | -179.2 | 178.2 | 175.8 | 0 | 110.6 | T1589 R1590 S1592 E1594 W1726 L1727 | T1589-K1608 CarbonylContact C-O 3.58Å; T1589-K1608 WeakPolarHBondContact CA-O 3.18Å; R1590-K1608 HydrophobicContact CG-CB 4.05Å; R1590-K1608 PolarHBondContact N-O 2.74Å; R1590-K1608 PolarHBondContact O-N 3.02Å; S1592-K1608 VanDerWaalsContact OG-CE 3.27Å; S1592-K1608 WeakPolarHBondContact OG-CE 3.32Å; S1592-K1608 PolarHBondContact OG-NZ 3.47Å; E1594-K1608 IonicContact OE1-NZ 2.59Å; E1594-K1608 PolarHBondContact OE1-NZ 3.43Å; E1594-K1608 IonicContact OE2-NZ 3.75Å; E1594-K1608 PolarHBondContact OE2-NZ 2.96Å; K1608-W1726 HydrophobicContact CB-CE3 4.05Å; K1608-W1726 WeakPolarHBondContact O-CZ3 3.44Å; K1608-L1727 CarbonylContact C-O 3.5Å; K1608-L1727 VanDerWaalsContact CA-O 3.27Å; K1608-L1727 WeakPolarHBondContact CA-O 3.42Å |
| 1609 | V | 85.6 | Confident | 63.4 | Low | 3 Ų | 3 | 76.7 Ų | 76.7 | 2% | 0.018 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141.7 | -174.2 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | V1587 I1588 T1589 L1620 W1726 L1727 L1743 | V1587-V1609 HydrophobicContact CG1-CG1 4.24Å; I1588-V1609 WeakPolarHBondContact O-CA 3.47Å; T1589-V1609 HydrophobicContact CG2-CG2 3.78Å; V1609-L1620 HydrophobicContact CG1-CD2 3.92Å; V1609-W1726 WeakPolarHBondContact O-CA 3.34Å; V1609-L1727 PolarHBondContact N-O 3.48Å; V1609-L1727 PolarHBondContact O-N 3.36Å; V1609-L1743 HydrophobicContact CG1-CD1 4.41Å; V1609-L1743 HydrophobicContact CG2-CD1 3.91Å |
| 1610 | I | 85.8 | Confident | 65.6 | Low | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 126.3 | 174.4 | -56.2 | -174.9 | 0 | 0 | 0 | 110.3 | I1588 L1713 L1717 A1724 W1726 | I1588-I1610 HydrophobicContact CB-CB 4.42Å; I1588-I1610 HydrophobicContact CB-CD1 3.94Å; I1588-I1610 HydrophobicContact CB-CG1 4.1Å; I1588-I1610 HydrophobicContact CD1-CD1 4.03Å; I1588-I1610 HydrophobicContact CG2-CD1 3.75Å; I1588-I1610 HydrophobicContact CG2-CG1 4.11Å; I1588-I1610 PolarHBondContact O-N 3.21Å; I1588-I1610 VanDerWaalsContact O-N 3.12Å; I1610-L1713 HydrophobicContact CD1-CD2 4.48Å; I1610-L1717 HydrophobicContact CD1-CD1 4.27Å; I1610-A1724 HydrophobicContact CG2-CB 4.24Å; I1610-W1726 HydrophobicContact CD1-CH2 3.81Å; I1610-W1726 HydrophobicContact CD1-CZ2 3.75Å; I1610-W1726 HydrophobicContact CD1-CZ3 4.29Å; I1610-W1726 HydrophobicContact CG1-CD2 3.91Å; I1610-W1726 HydrophobicContact CG1-CE3 3.69Å; I1610-W1726 HydrophobicContact CG1-CH2 3.55Å; I1610-W1726 HydrophobicContact CG1-CZ2 3.74Å; I1610-W1726 HydrophobicContact CG1-CZ3 3.51Å |
| 1611 | V | 82.7 | Confident | 67.4 | Low | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150 | 172.5 | -72.4 | 0 | 0 | 0 | 0 | 111.4 | Q1619 L1620 A1724 V1725 L1727 | V1611-Q1619 CarbonylContact C-O 3.47Å; V1611-Q1619 WeakPolarHBondContact CA-O 3.39Å; V1611-Q1619 WeakPolarHBondContact CB-O 3.47Å; V1611-L1620 HydrophobicContact CG1-CD2 4.16Å; V1611-A1724 CarbonylContact O-C 3.56Å; V1611-A1724 WeakPolarHBondContact O-CA 3.28Å; V1611-V1725 PolarHBondContact N-O 3.09Å; V1611-V1725 PolarHBondContact O-N 3.01Å; V1611-L1727 HydrophobicContact CG2-CB 3.64Å; V1611-L1727 HydrophobicContact CG2-CD2 4.11Å; V1611-L1727 HydrophobicContact CG2-CG 4.37Å |
| 1612 | Y | 79 | Confident | 69.3 | Low | 13 Ų | 13 | 54 Ų | 54 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128 | 165.2 | -62.6 | -32.6 | 0 | 0 | 0 | 109.3 | Q1619 P1621 L1717 I1722 A1724 | Y1612-Q1619 PolarHBondContact N-O 2.88Å; Y1612-Q1619 PolarHBondContact O-N 3.28Å; Y1612-P1621 HydrophobicContact CD1-CG 4.4Å; Y1612-P1621 HydrophobicContact CD2-CB 4.24Å; Y1612-P1621 HydrophobicContact CD2-CG 4.26Å; Y1612-P1621 HydrophobicContact CE1-CB 4.44Å; Y1612-P1621 HydrophobicContact CE1-CG 4.04Å; Y1612-P1621 HydrophobicContact CE2-CB 3.57Å; Y1612-P1621 HydrophobicContact CE2-CG 3.91Å; Y1612-L1717 PolarHBondContact OH-O 2.82Å; Y1612-I1722 HydrophobicContact CD1-CG2 3.95Å; Y1612-I1722 HydrophobicContact CG-CG2 3.87Å; Y1612-A1724 HydrophobicContact CD1-CB 3.69Å; Y1612-A1724 HydrophobicContact CE1-CB 3.87Å |
| 1613 | K | 71 | Confident | 70.9 | Confident | 143 Ų | 143 | 50.5 Ų | 50.5 | 62% | 0.622 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 112.8 | -177.1 | -170.3 | 175.3 | -176.3 | 177.3 | 0 | 110.2 | N1723 | K1613-N1723 PolarHBondContact N-O 3.42Å |
| 1614 | N | 63.4 | Low | 72.5 | Confident | 32 Ų | 32 | 40.2 Ų | 40.2 | 17% | 0.171 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 163.1 | 174.2 | -83.1 | -2.5 | 0 | 0 | 0 | 110.6 | T1490 L1616 G1617 | T1490-N1614 HydrophobicContact CG2-CB 4.41Å; N1614-L1616 PolarHBondContact O-N 3.24Å; N1614-G1617 PolarHBondContact N-O 2.91Å; N1614-G1617 PolarHBondContact O-N 3.17Å |
| 1615 | P | 59.5 | Low | 73.8 | Confident | 132 Ų | 132 | 34.1 Ų | 34.1 | 86% | 0.857 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -15.6 | 179.1 | -26.5 | 35.8 | 0 | 0 | 0 | 115.8 | ||
| 1616 | L | 55.3 | Low | 74.8 | Confident | 137 Ų | 137 | 31.6 Ų | 31.6 | 72% | 0.717 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | 6.2 | -172.4 | -75.4 | 158.6 | 0 | 0 | 0 | 113.2 | T1490 N1614 | T1490-L1616 HydrophobicContact CG2-CB 3.92Å; T1490-L1616 WeakPolarHBondContact OG1-CB 3.23Å; T1490-L1616 VanDerWaalsContact OG1-CD1 3.22Å; T1490-L1616 WeakPolarHBondContact OG1-CD1 3.4Å; N1614-L1616 PolarHBondContact O-N 3.24Å |
| 1617 | G | 65.1 | Low | 75.2 | Confident | 20 Ų | 20 | 32 Ų | 32 | 21% | 0.206 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.3 | 176.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1614 G1734 | N1614-G1617 PolarHBondContact N-O 2.91Å; N1614-G1617 PolarHBondContact O-N 3.17Å; G1617-G1734 CarbonylContact C-O 3.57Å; G1617-G1734 WeakPolarHBondContact CA-O 3.4Å |
| 1618 | S | 72.8 | Confident | 75 | Confident | 14 Ų | 14 | 33.2 Ų | 33.2 | 10% | 0.098 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 146.4 | 177.9 | 66.5 | 0 | 0 | 0 | 0 | 112.3 | G1734 M1735 R1736 | S1618-G1734 PolarHBondContact N-O 2.92Å; S1618-M1735 WeakPolarHBondContact O-CA 3.45Å; S1618-M1735 VanDerWaalsContact OG-CA 3.3Å; S1618-M1735 WeakPolarHBondContact OG-CA 3.48Å; S1618-M1735 WeakPolarHBondContact OG-CB 3.29Å; S1618-R1736 PolarHBondContact O-N 3.5Å; S1618-R1736 VanDerWaalsContact O-N 3.1Å |
| 1619 | Q | 77.4 | Confident | 74.1 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 151.1 | 178.7 | 60.9 | 178.9 | -12 | 0 | 0 | 113.1 | V1611 Y1612 | V1611-Q1619 CarbonylContact C-O 3.47Å; V1611-Q1619 WeakPolarHBondContact CA-O 3.39Å; V1611-Q1619 WeakPolarHBondContact CB-O 3.47Å; Y1612-Q1619 PolarHBondContact N-O 2.88Å; Y1612-Q1619 PolarHBondContact O-N 3.28Å |
| 1620 | L | 83.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -69.7 | 147.6 | 169.7 | -64.9 | 167.5 | 0 | 0 | 0 | 110.2 | I1585 V1587 V1609 V1611 W1622 M1735 H1739 I1742 | I1585-L1620 HydrophobicContact CG2-CB 4.05Å; I1585-L1620 HydrophobicContact CG2-CD1 4.22Å; V1587-L1620 HydrophobicContact CG2-CD1 4.1Å; V1609-L1620 HydrophobicContact CG1-CD2 3.92Å; V1611-L1620 HydrophobicContact CG1-CD2 4.16Å; L1620-W1622 PolarHBondContact O-N 3.42Å; L1620-M1735 HydrophobicContact CD1-CE 4.11Å; L1620-M1735 HydrophobicContact CD2-CE 4.1Å; L1620-M1735 HydrophobicContact CG-CE 3.75Å; L1620-H1739 HydrophobicContact CD1-CB 3.93Å; L1620-H1739 HydrophobicContact CG-CB 4.16Å; L1620-H1739 PolarHBondContact N-ND1 3.34Å; L1620-I1742 HydrophobicContact CD1-CG2 4.22Å | ||
| 1621 | P | 78.6 | Confident | 72.3 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | trans | -58.7 | 129.2 | 172.1 | -25.1 | 34.6 | 0 | 0 | 0 | 112.5 | L1586 Y1612 | L1586-P1621 HydrophobicContact CB-CB 4.35Å; L1586-P1621 PolarHBondContact N-O 3.42Å; Y1612-P1621 HydrophobicContact CD1-CG 4.4Å; Y1612-P1621 HydrophobicContact CD2-CB 4.24Å; Y1612-P1621 HydrophobicContact CD2-CG 4.26Å; Y1612-P1621 HydrophobicContact CE1-CB 4.44Å; Y1612-P1621 HydrophobicContact CE1-CG 4.04Å; Y1612-P1621 HydrophobicContact CE2-CB 3.57Å; Y1612-P1621 HydrophobicContact CE2-CG 3.91Å | ||
| 1622 | W | 80.8 | Confident | 71.6 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 5% | 0.053 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 154.2 | 179.9 | 71.8 | -73.2 | 0 | 0 | 0 | 112.9 | F1486 P1488 A1583 I1584 I1585 L1620 L1624 H1739 | F1486-W1622 HydrophobicContact CB-CH2 4.04Å; F1486-W1622 HydrophobicContact CB-CZ2 4.11Å; F1486-W1622 AromaticContact CD1-CH2 3.89Å; F1486-W1622 HydrophobicContact CD1-CH2 3.89Å; F1486-W1622 AromaticContact CD1-CZ2 3.82Å; F1486-W1622 HydrophobicContact CD1-CZ2 3.82Å; F1486-W1622 HydrophobicContact CG-CH2 4.27Å; F1486-W1622 HydrophobicContact CG-CZ2 4.4Å; P1488-W1622 HydrophobicContact CG-CZ2 4.36Å; A1583-W1622 HydrophobicContact CB-CE3 4.5Å; I1584-W1622 CarbonylContact O-C 3.42Å; I1584-W1622 WeakPolarHBondContact O-CA 3.33Å; I1585-W1622 HydrophobicContact CB-CB 4.49Å; I1585-W1622 HydrophobicContact CG1-CB 3.91Å; L1620-W1622 PolarHBondContact O-N 3.42Å; W1622-L1624 HydrophobicContact CZ3-CD1 4.33Å; W1622-L1624 HydrophobicContact CZ3-CD2 4.04Å; W1622-L1624 HydrophobicContact CZ3-CG 3.84Å; W1622-H1739 AromaticContact CD1-CE1 3.96Å |
| 1623 | F | 78 | Confident | 71 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 7% | 0.066 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 139.9 | -175.1 | -49.2 | -81.8 | 0 | 0 | 0 | 109.9 | A1583 I1584 F1641 L1644 | A1583-F1623 CarbonylContact C-O 3.59Å; A1583-F1623 WeakPolarHBondContact CA-O 3.43Å; I1584-F1623 PolarHBondContact N-O 3.15Å; I1584-F1623 PolarHBondContact O-N 3.34Å; F1623-F1641 HydrophobicContact CE2-CE1 4.19Å; F1623-L1644 HydrophobicContact CD1-CD1 4.08Å; F1623-L1644 HydrophobicContact CE1-CD1 3.53Å; F1623-L1644 HydrophobicContact CZ-CD1 3.8Å |
| 1624 | L | 78.7 | Confident | 70.8 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 143.7 | 167.9 | -72 | 165.1 | 0 | 0 | 0 | 108.7 | Y1483 A1484 F1486 W1526 P1576 N1581 A1583 W1622 | Y1483-L1624 WeakPolarHBondContact CA-O 3.37Å; A1484-L1624 PolarHBondContact N-O 3.45Å; A1484-L1624 VanDerWaalsContact N-O 3.12Å; A1484-L1624 PolarHBondContact O-N 3.38Å; A1484-L1624 VanDerWaalsContact O-N 3.13Å; F1486-L1624 HydrophobicContact CB-CD1 4.42Å; W1526-L1624 VanDerWaalsContact CH2-C 3.47Å; W1526-L1624 HydrophobicContact CH2-CB 3.36Å; W1526-L1624 WeakPolarHBondContact CH2-O 3.3Å; W1526-L1624 HydrophobicContact CZ2-CB 3.8Å; W1526-L1624 HydrophobicContact CZ3-CB 4.43Å; P1576-L1624 HydrophobicContact CG-CD1 4.18Å; N1581-L1624 HydrophobicContact CB-CD2 4.38Å; A1583-L1624 HydrophobicContact CB-CD2 4.23Å; W1622-L1624 HydrophobicContact CZ3-CD1 4.33Å; W1622-L1624 HydrophobicContact CZ3-CD2 4.04Å; W1622-L1624 HydrophobicContact CZ3-CG 3.84Å |
| 1625 | V | 77.9 | Confident | 71.1 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 130 | -173.1 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | S1582 I1584 H1627 I1640 | S1582-V1625 WeakPolarHBondContact CB-O 3.47Å; S1582-V1625 PolarHBondContact O-N 3.44Å; I1584-V1625 HydrophobicContact CD1-CG2 3.76Å; I1584-V1625 HydrophobicContact CG1-CG2 3.9Å; V1625-H1627 VanDerWaalsContact CG1-CE1 3.5Å; V1625-H1627 WeakPolarHBondContact CG1-CE1 3.3Å; V1625-H1627 WeakPolarHBondContact CG1-NE2 3.37Å; V1625-I1640 HydrophobicContact CB-CD1 4.5Å; V1625-I1640 HydrophobicContact CG1-CD1 3.44Å; V1625-I1640 VanDerWaalsContact CG1-CD1 3.44Å; V1625-I1640 HydrophobicContact CG2-CD1 4.2Å |
| 1626 | Q | 76.1 | Confident | 71.6 | Confident | 42 Ų | 42 | 47 Ų | 47 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 112.9 | 168.1 | -154.4 | 178.8 | 38.5 | 0 | 0 | 109.3 | K1482 E1577 | K1482-Q1626 HydrophobicContact CB-CB 4.15Å; K1482-Q1626 PolarHBondContact O-N 3.23Å; E1577-Q1626 PolarHBondContact OE1-NE2 3Å |
| 1627 | H | 72.9 | Confident | 72.4 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | trans | -91.5 | 133 | 177.3 | -67 | -76.9 | 0 | 0 | 0 | 110.5 | V1625 C1631 H1633 | V1625-H1627 VanDerWaalsContact CG1-CE1 3.5Å; V1625-H1627 WeakPolarHBondContact CG1-CE1 3.3Å; V1625-H1627 WeakPolarHBondContact CG1-NE2 3.37Å; H1627-C1631 HydrophobicContact CB-CB 4.15Å; H1627-C1631 PolarHBondContact ND1-SG 3.2Å; H1627-H1633 AromaticContact CD2-CD2 3.58Å; H1627-H1633 AromaticContact CD2-NE2 3.47Å; H1627-H1633 PolarHBondContact CD2-NE2 3.34Å; H1627-H1633 AromaticContact CE1-CD2 3.51Å; H1627-H1633 AromaticContact CG-CD2 3.72Å; H1627-H1633 AromaticContact CG-NE2 3.48Å; H1627-H1633 AromaticContact ND1-CD2 3.68Å; H1627-H1633 AromaticContact ND1-NE2 3.88Å; H1627-H1633 AromaticContact NE2-CD2 3.44Å; H1627-H1633 PolarHBondContact NE2-CD2 3.03Å; H1627-H1633 AromaticContact NE2-NE2 3.87Å | ||
| 1628 | P | 68.7 | Low | 72.7 | Confident | 33 Ų | 33 | 43.7 Ų | 43.7 | 21% | 0.214 | 25% | 0.246 | C | C | . | . | trans | -66 | 151.2 | 172.8 | 27.9 | -33.7 | 0 | 0 | 0 | 110.9 | H1481 G1630 C1631 | H1481-P1628 WeakPolarHBondContact CE1-CD 3.49Å; H1481-P1628 WeakPolarHBondContact CE1-CG 3.25Å; H1481-P1628 VanDerWaalsContact ND1-CD 3.25Å; H1481-P1628 WeakPolarHBondContact ND1-CD 3.37Å; P1628-G1630 PolarHBondContact O-N 3.07Å; P1628-C1631 HydrophobicContact CG-CB 4Å; P1628-C1631 WeakPolarHBondContact O-CB 3.45Å; P1628-C1631 PolarHBondContact O-N 3.45Å | ||
| 1629 | I | 63.3 | Low | 72.6 | Confident | 166 Ų | 166 | 47.3 Ų | 47.3 | 85% | 0.851 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 104.9 | -177.9 | -57.3 | 169.8 | 0 | 0 | 0 | 109.3 | ||
| 1630 | G | 66.2 | Low | 72.3 | Confident | 80 Ų | 80 | 46.8 Ų | 46.8 | 83% | 0.825 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.6 | 1.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | P1628 D1632 | P1628-G1630 PolarHBondContact O-N 3.07Å; G1630-D1632 PolarHBondContact O-N 3.34Å |
| 1631 | C | 68.7 | Low | 71.8 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 14% | 0.135 | 26% | 0.261 | C | S | . | . | trans | -58.4 | 126.8 | 174.2 | 151.1 | 0 | 0 | 0 | 0 | 112.5 | H1627 P1628 H1633 C1636 | H1627-C1631 HydrophobicContact CB-CB 4.15Å; H1627-C1631 PolarHBondContact ND1-SG 3.2Å; P1628-C1631 HydrophobicContact CG-CB 4Å; P1628-C1631 WeakPolarHBondContact O-CB 3.45Å; P1628-C1631 PolarHBondContact O-N 3.45Å; C1631-H1633 PolarHBondContact O-CE1 3.23Å; C1631-H1633 PolarHBondContact O-N 2.94Å; C1631-H1633 PolarHBondContact O-ND1 3.28Å; C1631-C1636 WeakPolarHBondContact CB-SG 3.39Å; C1631-C1636 WeakPolarHBondContact SG-CB 3.35Å; C1631-C1636 CovalentContact SG-SG 2.04Å; C1631-C1636 PolarHBondContact SG-SG 3.25Å | ||
| 1632 | D | 67 | Low | 71.3 | Confident | 100 Ų | 100 | 49.9 Ų | 49.9 | 54% | 0.535 | 27% | 0.274 | S | S | . | . | trans | -79.4 | 108 | 163.2 | -172.8 | -6.3 | 0 | 0 | 0 | 109.1 | G1630 K1634 V1635 C1636 | G1630-D1632 PolarHBondContact O-N 3.34Å; D1632-K1634 PolarHBondContact O-N 2.9Å; D1632-K1634 PolarHBondContact OD1-N 3.49Å; D1632-V1635 HydrophobicContact CB-CG2 4.42Å; D1632-V1635 PolarHBondContact O-N 2.92Å; D1632-C1636 PolarHBondContact O-N 3.41Å; D1632-C1636 VanDerWaalsContact O-N 3.14Å; D1632-C1636 PolarHBondContact O-SG 3.18Å | ||
| 1633 | H | 65.6 | Low | 70.8 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 22% | 0.222 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.2 | -30.1 | -170.7 | -66.5 | 83.5 | 0 | 0 | 0 | 113.6 | R1546 H1627 C1631 V1635 C1636 V1637 | R1546-H1633 VanDerWaalsContact CZ-NE2 3.26Å; R1546-H1633 PolarHBondContact NH1-CD2 3.05Å; R1546-H1633 PolarHBondContact NH1-CE1 3.15Å; R1546-H1633 VanDerWaalsContact NH1-CE1 3.34Å; R1546-H1633 VanDerWaalsContact NH1-CG 3.25Å; R1546-H1633 PolarHBondContact NH1-ND1 3.49Å; R1546-H1633 PolarHBondContact NH1-NE2 3.42Å; R1546-H1633 VanDerWaalsContact NH1-NE2 3.12Å; R1546-H1633 PolarHBondContact NH2-NE2 2.85Å; R1546-H1633 VanDerWaalsContact NH2-NE2 3.19Å; H1627-H1633 AromaticContact CD2-CD2 3.58Å; H1627-H1633 AromaticContact CD2-NE2 3.47Å; H1627-H1633 PolarHBondContact CD2-NE2 3.34Å; H1627-H1633 AromaticContact CE1-CD2 3.51Å; H1627-H1633 AromaticContact CG-CD2 3.72Å; H1627-H1633 AromaticContact CG-NE2 3.48Å; H1627-H1633 AromaticContact ND1-CD2 3.68Å; H1627-H1633 AromaticContact ND1-NE2 3.88Å; H1627-H1633 AromaticContact NE2-CD2 3.44Å; H1627-H1633 PolarHBondContact NE2-CD2 3.03Å; H1627-H1633 AromaticContact NE2-NE2 3.87Å; C1631-H1633 PolarHBondContact O-CE1 3.23Å; C1631-H1633 PolarHBondContact O-N 2.94Å; C1631-H1633 PolarHBondContact O-ND1 3.28Å; H1633-V1635 VanDerWaalsContact C-N 3.34Å; H1633-V1635 PolarHBondContact O-N 2.78Å; H1633-C1636 PolarHBondContact O-N 3.02Å; H1633-V1637 WeakPolarHBondContact O-CB 3.46Å; H1633-V1637 WeakPolarHBondContact O-CG2 3.33Å; H1633-V1637 PolarHBondContact O-N 2.94Å |
| 1634 | K | 68.4 | Low | 70.3 | Confident | 148 Ų | 148 | 50.6 Ų | 50.6 | 64% | 0.643 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.1 | -40.2 | 176.6 | -67.4 | 178.2 | -179.5 | 174.9 | 0 | 112.3 | D1632 I1677 | D1632-K1634 PolarHBondContact O-N 2.9Å; D1632-K1634 PolarHBondContact OD1-N 3.49Å; K1634-I1677 HydrophobicContact CG-CD1 4.4Å |
| 1635 | V | 68.7 | Low | 69.9 | Low | 83 Ų | 83 | 50.6 Ų | 50.6 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.1 | -48.3 | 178.1 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | D1632 H1633 V1637 N1638 E1639 | D1632-V1635 HydrophobicContact CB-CG2 4.42Å; D1632-V1635 PolarHBondContact O-N 2.92Å; H1633-V1635 VanDerWaalsContact C-N 3.34Å; H1633-V1635 PolarHBondContact O-N 2.78Å; V1635-V1637 VanDerWaalsContact C-N 3.32Å; V1635-V1637 PolarHBondContact O-N 3.48Å; V1635-N1638 PolarHBondContact O-N 2.92Å; V1635-N1638 VanDerWaalsContact O-N 3.14Å; V1635-E1639 PolarHBondContact O-N 3.05Å |
| 1636 | C | 71.2 | Confident | 69.6 | Low | 6 Ų | 6 | 55.2 Ų | 55.2 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61 | -36.7 | -177.5 | -52.4 | 0 | 0 | 0 | 0 | 112.9 | H1481 C1631 D1632 H1633 E1639 I1640 | H1481-C1636 PolarHBondContact CE1-SG 3.34Å; C1631-C1636 WeakPolarHBondContact CB-SG 3.39Å; C1631-C1636 WeakPolarHBondContact SG-CB 3.35Å; C1631-C1636 CovalentContact SG-SG 2.04Å; C1631-C1636 PolarHBondContact SG-SG 3.25Å; D1632-C1636 PolarHBondContact O-N 3.41Å; D1632-C1636 VanDerWaalsContact O-N 3.14Å; D1632-C1636 PolarHBondContact O-SG 3.18Å; H1633-C1636 PolarHBondContact O-N 3.02Å; C1636-E1639 PolarHBondContact O-N 2.94Å; C1636-I1640 WeakPolarHBondContact O-CB 3.47Å; C1636-I1640 WeakPolarHBondContact O-CD1 3.25Å; C1636-I1640 WeakPolarHBondContact O-CG1 3.31Å; C1636-I1640 PolarHBondContact O-N 2.65Å |
| 1637 | V | 71.7 | Confident | 69.3 | Low | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 174.8 | 164.8 | 0 | 0 | 0 | 0 | 111.3 | I1584 H1633 V1635 I1640 F1641 V1699 | I1584-V1637 HydrophobicContact CD1-CG2 3.88Å; I1584-V1637 HydrophobicContact CG1-CG2 4.45Å; H1633-V1637 WeakPolarHBondContact O-CB 3.46Å; H1633-V1637 WeakPolarHBondContact O-CG2 3.33Å; H1633-V1637 PolarHBondContact O-N 2.94Å; V1635-V1637 VanDerWaalsContact C-N 3.32Å; V1635-V1637 PolarHBondContact O-N 3.48Å; V1637-I1640 PolarHBondContact O-N 2.84Å; V1637-F1641 HydrophobicContact CG1-CD2 3.84Å; V1637-F1641 HydrophobicContact CG1-CE2 3.71Å; V1637-F1641 WeakPolarHBondContact O-CD2 3.35Å; V1637-F1641 PolarHBondContact O-N 3Å; V1637-F1641 VanDerWaalsContact O-N 3.14Å; V1637-V1699 HydrophobicContact CG1-CG2 3.88Å |
| 1638 | N | 71.9 | Confident | 69.2 | Low | 83 Ų | 83 | 55.9 Ų | 55.9 | 44% | 0.444 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 178.8 | -73.8 | -23.2 | 0 | 0 | 0 | 111 | V1635 I1640 F1641 D1642 | V1635-N1638 PolarHBondContact O-N 2.92Å; V1635-N1638 VanDerWaalsContact O-N 3.14Å; N1638-I1640 PolarHBondContact O-N 3.24Å; N1638-F1641 PolarHBondContact O-N 3.31Å; N1638-D1642 WeakPolarHBondContact O-CB 3.48Å; N1638-D1642 PolarHBondContact O-N 3.46Å |
| 1639 | E | 70 | Confident | 69.5 | Low | 90 Ų | 90 | 56 Ų | 56 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 176.8 | -69.4 | -160.9 | 154 | 0 | 0 | 113 | V1635 C1636 D1642 I1643 | V1635-E1639 PolarHBondContact O-N 3.05Å; C1636-E1639 PolarHBondContact O-N 2.94Å; E1639-D1642 WeakPolarHBondContact O-CB 3.36Å; E1639-D1642 PolarHBondContact O-N 3.43Å; E1639-I1643 WeakPolarHBondContact O-CD1 3.48Å; E1639-I1643 WeakPolarHBondContact O-CG1 3.41Å; E1639-I1643 PolarHBondContact O-N 3.25Å |
| 1640 | I | 70.9 | Confident | 70 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 178.5 | -69.8 | 162.1 | 0 | 0 | 0 | 110.9 | Y1483 I1584 V1625 C1636 V1637 N1638 D1642 I1643 L1644 | Y1483-I1640 HydrophobicContact CD1-CG1 4.31Å; Y1483-I1640 HydrophobicContact CD1-CG2 3.92Å; Y1483-I1640 HydrophobicContact CD2-CG2 4.35Å; Y1483-I1640 HydrophobicContact CE1-CG2 4.21Å; Y1483-I1640 HydrophobicContact CG-CG2 3.99Å; I1584-I1640 HydrophobicContact CD1-CD1 4.23Å; V1625-I1640 HydrophobicContact CB-CD1 4.5Å; V1625-I1640 HydrophobicContact CG1-CD1 3.44Å; V1625-I1640 VanDerWaalsContact CG1-CD1 3.44Å; V1625-I1640 HydrophobicContact CG2-CD1 4.2Å; C1636-I1640 WeakPolarHBondContact O-CB 3.47Å; C1636-I1640 WeakPolarHBondContact O-CD1 3.25Å; C1636-I1640 WeakPolarHBondContact O-CG1 3.31Å; C1636-I1640 PolarHBondContact O-N 2.65Å; V1637-I1640 PolarHBondContact O-N 2.84Å; N1638-I1640 PolarHBondContact O-N 3.24Å; I1640-D1642 VanDerWaalsContact C-N 3.31Å; I1640-D1642 PolarHBondContact O-N 3.48Å; I1640-I1643 PolarHBondContact O-N 3.37Å; I1640-L1644 WeakPolarHBondContact O-CB 3.26Å; I1640-L1644 PolarHBondContact O-N 2.94Å |
| 1641 | F | 71.6 | Confident | 70.3 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 7% | 0.066 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -37 | 173.5 | -77.2 | -55.8 | 0 | 0 | 0 | 112.4 | I1584 L1586 F1623 V1637 N1638 L1644 T1645 V1699 | I1584-F1641 HydrophobicContact CG2-CE2 4.18Å; I1584-F1641 HydrophobicContact CG2-CZ 3.83Å; L1586-F1641 HydrophobicContact CB-CE1 4.47Å; L1586-F1641 HydrophobicContact CB-CZ 4.19Å; L1586-F1641 HydrophobicContact CD1-CE1 4.3Å; L1586-F1641 HydrophobicContact CD1-CZ 3.89Å; L1586-F1641 HydrophobicContact CD2-CE1 3.84Å; L1586-F1641 HydrophobicContact CD2-CZ 4.22Å; L1586-F1641 HydrophobicContact CG-CE1 4.44Å; L1586-F1641 HydrophobicContact CG-CZ 4.32Å; F1623-F1641 HydrophobicContact CE2-CE1 4.19Å; V1637-F1641 HydrophobicContact CG1-CD2 3.84Å; V1637-F1641 HydrophobicContact CG1-CE2 3.71Å; V1637-F1641 WeakPolarHBondContact O-CD2 3.35Å; V1637-F1641 PolarHBondContact O-N 3Å; V1637-F1641 VanDerWaalsContact O-N 3.14Å; N1638-F1641 PolarHBondContact O-N 3.31Å; F1641-L1644 PolarHBondContact O-N 3.14Å; F1641-T1645 WeakPolarHBondContact O-CB 3.34Å; F1641-T1645 VanDerWaalsContact O-CG2 3.28Å; F1641-T1645 WeakPolarHBondContact O-CG2 3.44Å; F1641-T1645 PolarHBondContact O-N 3.32Å; F1641-T1645 PolarHBondContact O-OG1 3.42Å; F1641-V1699 HydrophobicContact CE2-CB 4.44Å; F1641-V1699 HydrophobicContact CE2-CG1 4.08Å; F1641-V1699 HydrophobicContact CE2-CG2 4.4Å |
| 1642 | D | 69.8 | Low | 70.5 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 175 | -125.1 | 36.5 | 0 | 0 | 0 | 112.1 | N1638 E1639 I1640 T1645 K1646 | N1638-D1642 WeakPolarHBondContact O-CB 3.48Å; N1638-D1642 PolarHBondContact O-N 3.46Å; E1639-D1642 WeakPolarHBondContact O-CB 3.36Å; E1639-D1642 PolarHBondContact O-N 3.43Å; I1640-D1642 VanDerWaalsContact C-N 3.31Å; I1640-D1642 PolarHBondContact O-N 3.48Å; D1642-T1645 PolarHBondContact O-OG1 3.42Å; D1642-K1646 WeakPolarHBondContact O-CB 3.48Å; D1642-K1646 WeakPolarHBondContact O-CD 3.5Å; D1642-K1646 WeakPolarHBondContact O-CG 3.44Å; D1642-K1646 PolarHBondContact O-N 3.38Å; D1642-K1646 WeakPolarHBondContact OD2-CE 3.39Å; D1642-K1646 IonicContact OD2-NZ 3.58Å; D1642-K1646 PolarHBondContact OD2-NZ 2.97Å |
| 1643 | I | 68.9 | Low | 71 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.2 | -45.8 | 177.4 | -58.4 | 154.9 | 0 | 0 | 0 | 110.1 | K1478 Y1483 E1639 I1640 K1646 S1647 | K1478-I1643 HydrophobicContact CB-CD1 4.07Å; K1478-I1643 HydrophobicContact CD-CD1 3.57Å; K1478-I1643 HydrophobicContact CD-CG1 3.63Å; K1478-I1643 HydrophobicContact CD-CG2 4.49Å; K1478-I1643 HydrophobicContact CG-CD1 4.45Å; Y1483-I1643 HydrophobicContact CE1-CB 4.22Å; Y1483-I1643 HydrophobicContact CE1-CD1 4.5Å; Y1483-I1643 HydrophobicContact CE1-CG2 4.05Å; Y1483-I1643 VanDerWaalsContact OH-CG2 3.32Å; Y1483-I1643 WeakPolarHBondContact OH-CG2 3.19Å; E1639-I1643 WeakPolarHBondContact O-CD1 3.48Å; E1639-I1643 WeakPolarHBondContact O-CG1 3.41Å; E1639-I1643 PolarHBondContact O-N 3.25Å; I1640-I1643 PolarHBondContact O-N 3.37Å; I1643-K1646 PolarHBondContact O-N 3.33Å; I1643-S1647 WeakPolarHBondContact O-CB 3.39Å; I1643-S1647 PolarHBondContact O-N 3.01Å; I1643-S1647 PolarHBondContact O-OG 3.39Å |
| 1644 | L | 68.4 | Low | 71.6 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 12% | 0.12 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -49.4 | -179.9 | -174.4 | 144.2 | 0 | 0 | 0 | 111.2 | Y1483 F1623 I1640 F1641 S1647 R1648 | Y1483-L1644 HydrophobicContact CE2-CB 4.39Å; Y1483-L1644 HydrophobicContact CE2-CD1 4.15Å; Y1483-L1644 PolarHBondContact OH-N 3.47Å; F1623-L1644 HydrophobicContact CD1-CD1 4.08Å; F1623-L1644 HydrophobicContact CE1-CD1 3.53Å; F1623-L1644 HydrophobicContact CZ-CD1 3.8Å; I1640-L1644 WeakPolarHBondContact O-CB 3.26Å; I1640-L1644 PolarHBondContact O-N 2.94Å; F1641-L1644 PolarHBondContact O-N 3.14Å; L1644-S1647 PolarHBondContact O-N 3.13Å; L1644-R1648 WeakPolarHBondContact O-CB 3.39Å; L1644-R1648 PolarHBondContact O-N 3.31Å |
| 1645 | T | 70.6 | Confident | 71.9 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 177.9 | 56 | 0 | 0 | 0 | 0 | 112.2 | F1641 D1642 S1647 R1648 M1649 F1670 | F1641-T1645 WeakPolarHBondContact O-CB 3.34Å; F1641-T1645 VanDerWaalsContact O-CG2 3.28Å; F1641-T1645 WeakPolarHBondContact O-CG2 3.44Å; F1641-T1645 PolarHBondContact O-N 3.32Å; F1641-T1645 PolarHBondContact O-OG1 3.42Å; D1642-T1645 PolarHBondContact O-OG1 3.42Å; T1645-S1647 VanDerWaalsContact C-N 3.32Å; T1645-S1647 PolarHBondContact O-N 3.03Å; T1645-R1648 PolarHBondContact O-N 3.48Å; T1645-M1649 WeakPolarHBondContact O-CB 3.3Å; T1645-M1649 PolarHBondContact O-N 3.39Å; T1645-F1670 HydrophobicContact CG2-CD1 4.47Å; T1645-F1670 HydrophobicContact CG2-CE1 4.45Å |
| 1646 | K | 71.8 | Confident | 72.3 | Confident | 101 Ų | 101 | 56.1 Ų | 56.1 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65 | -33.2 | 176.7 | -72.7 | 168.1 | -178.6 | 169.3 | 0 | 113 | D1642 I1643 K1650 | D1642-K1646 WeakPolarHBondContact O-CB 3.48Å; D1642-K1646 WeakPolarHBondContact O-CD 3.5Å; D1642-K1646 WeakPolarHBondContact O-CG 3.44Å; D1642-K1646 PolarHBondContact O-N 3.38Å; D1642-K1646 WeakPolarHBondContact OD2-CE 3.39Å; D1642-K1646 IonicContact OD2-NZ 3.58Å; D1642-K1646 PolarHBondContact OD2-NZ 2.97Å; I1643-K1646 PolarHBondContact O-N 3.33Å; K1646-K1650 WeakPolarHBondContact O-CG 3.43Å; K1646-K1650 PolarHBondContact O-N 3.35Å |
| 1647 | S | 68.9 | Low | 72.4 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73.7 | -45.6 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | I1643 L1644 T1645 M1649 K1650 H1651 | I1643-S1647 WeakPolarHBondContact O-CB 3.39Å; I1643-S1647 PolarHBondContact O-N 3.01Å; I1643-S1647 PolarHBondContact O-OG 3.39Å; L1644-S1647 PolarHBondContact O-N 3.13Å; T1645-S1647 VanDerWaalsContact C-N 3.32Å; T1645-S1647 PolarHBondContact O-N 3.03Å; S1647-M1649 VanDerWaalsContact C-N 3.33Å; S1647-M1649 PolarHBondContact O-N 3.32Å; S1647-K1650 PolarHBondContact O-N 3.22Å; S1647-H1651 PolarHBondContact O-N 3.41Å |
| 1648 | R | 71.9 | Confident | 72.8 | Confident | 46 Ų | 46 | 65.9 Ų | 65.9 | 17% | 0.174 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 174.2 | -168.4 | 53.6 | 164.4 | 168.2 | -5.5 | 111.6 | L1644 T1645 H1651 L1652 T1718 E1720 | L1644-R1648 WeakPolarHBondContact O-CB 3.39Å; L1644-R1648 PolarHBondContact O-N 3.31Å; T1645-R1648 PolarHBondContact O-N 3.48Å; R1648-H1651 PolarHBondContact NH1-CD2 2.91Å; R1648-H1651 VanDerWaalsContact NH1-CD2 3.33Å; R1648-H1651 PolarHBondContact NH1-NE2 3.42Å; R1648-H1651 WeakPolarHBondContact O-CB 3.18Å; R1648-H1651 PolarHBondContact O-N 3.49Å; R1648-L1652 HydrophobicContact CG-CD1 4.06Å; R1648-L1652 HydrophobicContact CG-CG 4.32Å; R1648-L1652 WeakPolarHBondContact O-CG 3.48Å; R1648-L1652 PolarHBondContact O-N 3.39Å; R1648-T1718 PolarHBondContact NE-O 3.34Å; R1648-T1718 VanDerWaalsContact NE-O 3.1Å; R1648-T1718 PolarHBondContact NH2-O 2.97Å; R1648-E1720 IonicContact NH1-OE1 2.7Å; R1648-E1720 PolarHBondContact NH1-OE1 3.39Å |
| 1649 | M | 74 | Confident | 73.1 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 17% | 0.172 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 173.1 | -176.5 | -163.7 | -159.3 | 0 | 0 | 112.5 | T1645 S1647 H1651 L1652 V1653 V1664 L1667 | T1645-M1649 WeakPolarHBondContact O-CB 3.3Å; T1645-M1649 PolarHBondContact O-N 3.39Å; S1647-M1649 VanDerWaalsContact C-N 3.33Å; S1647-M1649 PolarHBondContact O-N 3.32Å; M1649-H1651 PolarHBondContact O-N 3.01Å; M1649-L1652 PolarHBondContact O-N 2.87Å; M1649-V1653 HydrophobicContact CG-CG2 4.26Å; M1649-V1653 WeakPolarHBondContact O-CB 3.39Å; M1649-V1653 VanDerWaalsContact O-CG2 3.26Å; M1649-V1653 WeakPolarHBondContact O-CG2 3.08Å; M1649-V1653 PolarHBondContact O-N 2.81Å; M1649-V1664 HydrophobicContact CE-CB 3.95Å; M1649-V1664 HydrophobicContact CE-CG2 3.19Å; M1649-L1667 HydrophobicContact CB-CD1 4.1Å; M1649-L1667 HydrophobicContact CG-CD1 4.32Å; M1649-L1667 HydrophobicContact SD-CD1 3.86Å |
| 1650 | K | 73.9 | Confident | 73.4 | Confident | 169 Ų | 169 | 66.8 Ų | 66.8 | 74% | 0.735 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -57.7 | -38.3 | 175.2 | -79.8 | -178.6 | 178.2 | -174.9 | 0 | 112.3 | K1646 S1647 K1654 | K1646-K1650 WeakPolarHBondContact O-CG 3.43Å; K1646-K1650 PolarHBondContact O-N 3.35Å; S1647-K1650 PolarHBondContact O-N 3.22Å; K1650-K1654 PolarHBondContact O-N 2.63Å |
| 1651 | H | 73.1 | Confident | 73.8 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 33% | 0.333 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.7 | -47.8 | 176.8 | 179.9 | 108.3 | 0 | 0 | 0 | 112 | S1647 R1648 M1649 V1653 K1654 L1655 E1720 | S1647-H1651 PolarHBondContact O-N 3.41Å; R1648-H1651 PolarHBondContact NH1-CD2 2.91Å; R1648-H1651 VanDerWaalsContact NH1-CD2 3.33Å; R1648-H1651 PolarHBondContact NH1-NE2 3.42Å; R1648-H1651 WeakPolarHBondContact O-CB 3.18Å; R1648-H1651 PolarHBondContact O-N 3.49Å; M1649-H1651 PolarHBondContact O-N 3.01Å; H1651-V1653 VanDerWaalsContact C-N 3.35Å; H1651-V1653 PolarHBondContact O-N 3.49Å; H1651-K1654 WeakPolarHBondContact O-CB 3.48Å; H1651-K1654 PolarHBondContact O-N 3.48Å; H1651-L1655 VanDerWaalsContact NE2-CD1 3.29Å; H1651-L1655 WeakPolarHBondContact NE2-CD1 3.04Å; H1651-L1655 PolarHBondContact O-N 3.03Å; H1651-L1655 VanDerWaalsContact O-N 3.12Å; H1651-E1720 IonicContact CE1-OE1 3.27Å; H1651-E1720 PolarHBondContact CE1-OE1 3.42Å; H1651-E1720 IonicContact ND1-OE1 2.75Å; H1651-E1720 IonicContact NE2-OE1 3.07Å; H1651-E1720 PolarHBondContact NE2-OE1 3.22Å |
| 1652 | L | 73.1 | Confident | 74 | Confident | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 178.2 | -70.9 | 173.7 | 0 | 0 | 0 | 112.5 | R1648 M1649 K1654 L1655 M1656 L1663 L1716 | R1648-L1652 HydrophobicContact CG-CD1 4.06Å; R1648-L1652 HydrophobicContact CG-CG 4.32Å; R1648-L1652 WeakPolarHBondContact O-CG 3.48Å; R1648-L1652 PolarHBondContact O-N 3.39Å; M1649-L1652 PolarHBondContact O-N 2.87Å; L1652-K1654 VanDerWaalsContact C-N 3.25Å; L1652-K1654 PolarHBondContact O-N 3.47Å; L1652-L1655 PolarHBondContact O-N 3.35Å; L1652-M1656 HydrophobicContact CD2-CE 4.04Å; L1652-M1656 PolarHBondContact O-N 3.37Å; L1652-L1663 HydrophobicContact CB-CD1 3.97Å; L1652-L1663 HydrophobicContact CD1-CD2 4.39Å; L1652-L1716 HydrophobicContact CD1-CD2 4.15Å; L1652-L1716 HydrophobicContact CD1-CG 4.33Å |
| 1653 | V | 76.9 | Confident | 74.3 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.3 | -24.5 | 174.5 | 171.8 | 0 | 0 | 0 | 0 | 112 | M1649 H1651 K1660 | M1649-V1653 HydrophobicContact CG-CG2 4.26Å; M1649-V1653 WeakPolarHBondContact O-CB 3.39Å; M1649-V1653 VanDerWaalsContact O-CG2 3.26Å; M1649-V1653 WeakPolarHBondContact O-CG2 3.08Å; M1649-V1653 PolarHBondContact O-N 2.81Å; H1651-V1653 VanDerWaalsContact C-N 3.35Å; H1651-V1653 PolarHBondContact O-N 3.49Å; V1653-K1660 HydrophobicContact CG1-CB 4.37Å; V1653-K1660 HydrophobicContact CG1-CD 3.97Å; V1653-K1660 HydrophobicContact CG1-CG 4.01Å; V1653-K1660 HydrophobicContact CG2-CB 4.36Å; V1653-K1660 HydrophobicContact CG2-CG 4.08Å |
| 1654 | K | 77.1 | Confident | 74.8 | Confident | 186 Ų | 186 | 71.4 Ų | 71.4 | 81% | 0.809 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -76 | -33.1 | 172.3 | -166.6 | -177.1 | 179.9 | -173.9 | 0 | 112.3 | K1650 H1651 L1652 | K1650-K1654 PolarHBondContact O-N 2.63Å; H1651-K1654 WeakPolarHBondContact O-CB 3.48Å; H1651-K1654 PolarHBondContact O-N 3.48Å; L1652-K1654 VanDerWaalsContact C-N 3.25Å; L1652-K1654 PolarHBondContact O-N 3.47Å |
| 1655 | L | 75.8 | Confident | 75.3 | Confident | 115 Ų | 115 | 75.7 Ų | 75.7 | 60% | 0.602 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -82 | -40.3 | 176.2 | -78.7 | 169.1 | 0 | 0 | 0 | 113.4 | H1651 L1652 | H1651-L1655 VanDerWaalsContact NE2-CD1 3.29Å; H1651-L1655 WeakPolarHBondContact NE2-CD1 3.04Å; H1651-L1655 PolarHBondContact O-N 3.03Å; H1651-L1655 VanDerWaalsContact O-N 3.12Å; L1652-L1655 PolarHBondContact O-N 3.35Å |
| 1656 | M | 77.3 | Confident | 75.7 | Confident | 61 Ų | 61 | 76.1 Ų | 76.1 | 30% | 0.3 | 39% | 0.386 | S | S | . | . | trans | -131.2 | 73.7 | -171.7 | -70.2 | -174.2 | -87.4 | 0 | 0 | 110.6 | L1652 T1658 K1659 | L1652-M1656 HydrophobicContact CD2-CE 4.04Å; L1652-M1656 PolarHBondContact O-N 3.37Å; M1656-T1658 PolarHBondContact O-N 3.32Å; M1656-K1659 HydrophobicContact CB-CB 4.43Å; M1656-K1659 PolarHBondContact O-N 3.01Å; M1656-K1659 HydrophobicContact SD-CD 4.33Å | ||
| 1657 | P | 73 | Confident | 75.9 | Confident | 90 Ų | 90 | 72 Ų | 72 | 58% | 0.584 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -62 | -26.3 | -179.8 | 24.4 | -34 | 0 | 0 | 0 | 113.1 | K1660 | P1657-K1660 VanDerWaalsContact O-CB 3.32Å; P1657-K1660 WeakPolarHBondContact O-CB 3.4Å; P1657-K1660 PolarHBondContact O-N 2.76Å |
| 1658 | T | 80.3 | Confident | 76.3 | Confident | 124 Ų | 124 | 76.3 Ų | 76.3 | 76% | 0.761 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -64.5 | -35.1 | 177.2 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | M1656 K1660 | M1656-T1658 PolarHBondContact O-N 3.32Å; T1658-K1660 VanDerWaalsContact C-N 3.3Å; T1658-K1660 PolarHBondContact O-N 3.02Å |
| 1659 | K | 77 | Confident | 76.6 | Confident | 71 Ų | 71 | 78.5 Ų | 78.5 | 31% | 0.309 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -88.1 | 10.7 | 179.4 | -71.3 | -162.6 | 165.7 | -145.9 | 0 | 114 | M1656 T1661 T1662 L1663 E1712 | M1656-K1659 HydrophobicContact CB-CB 4.43Å; M1656-K1659 PolarHBondContact O-N 3.01Å; M1656-K1659 HydrophobicContact SD-CD 4.33Å; K1659-T1661 VanDerWaalsContact C-N 3.28Å; K1659-T1661 PolarHBondContact O-N 2.88Å; K1659-T1662 PolarHBondContact O-N 3.24Å; K1659-T1662 PolarHBondContact O-OG1 3.22Å; K1659-L1663 HydrophobicContact CB-CD1 4.01Å; K1659-L1663 HydrophobicContact CB-CG 4.19Å; K1659-L1663 WeakPolarHBondContact O-CB 3.48Å; K1659-L1663 VanDerWaalsContact O-CG 3.3Å; K1659-L1663 WeakPolarHBondContact O-CG 3.48Å; K1659-L1663 PolarHBondContact O-N 3.44Å; K1659-E1712 IonicContact NZ-OE1 2.92Å; K1659-E1712 PolarHBondContact NZ-OE1 3.26Å |
| 1660 | K | 77.4 | Confident | 76.7 | Confident | 122 Ų | 122 | 77.1 Ų | 77.1 | 53% | 0.53 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.3 | -39.8 | -176.2 | -178.4 | -179.6 | 175.8 | -174 | 0 | 112.5 | V1653 P1657 T1658 V1664 | V1653-K1660 HydrophobicContact CG1-CB 4.37Å; V1653-K1660 HydrophobicContact CG1-CD 3.97Å; V1653-K1660 HydrophobicContact CG1-CG 4.01Å; V1653-K1660 HydrophobicContact CG2-CB 4.36Å; V1653-K1660 HydrophobicContact CG2-CG 4.08Å; P1657-K1660 VanDerWaalsContact O-CB 3.32Å; P1657-K1660 WeakPolarHBondContact O-CB 3.4Å; P1657-K1660 PolarHBondContact O-N 2.76Å; T1658-K1660 VanDerWaalsContact C-N 3.3Å; T1658-K1660 PolarHBondContact O-N 3.02Å; K1660-V1664 WeakPolarHBondContact O-CG2 3.48Å; K1660-V1664 PolarHBondContact O-N 3.38Å; K1660-V1664 VanDerWaalsContact O-N 3.17Å |
| 1661 | T | 78.8 | Confident | 76.7 | Confident | 96 Ų | 96 | 72.1 Ų | 72.1 | 59% | 0.589 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.7 | -50.2 | 179.5 | 43 | 0 | 0 | 0 | 0 | 112.2 | K1659 L1663 V1664 E1665 | K1659-T1661 VanDerWaalsContact C-N 3.28Å; K1659-T1661 PolarHBondContact O-N 2.88Å; T1661-L1663 PolarHBondContact O-N 3.45Å; T1661-V1664 WeakPolarHBondContact O-CB 3.34Å; T1661-V1664 PolarHBondContact O-N 3.33Å; T1661-V1664 VanDerWaalsContact O-N 3.14Å; T1661-E1665 PolarHBondContact O-N 3.49Å |
| 1662 | T | 76.7 | Confident | 76.9 | Confident | 51 Ų | 51 | 73.1 Ų | 73.1 | 31% | 0.313 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | -179.7 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | K1659 V1664 E1665 T1666 E1712 | K1659-T1662 PolarHBondContact O-N 3.24Å; K1659-T1662 PolarHBondContact O-OG1 3.22Å; T1662-V1664 VanDerWaalsContact C-N 3.32Å; T1662-V1664 PolarHBondContact O-N 3.49Å; T1662-E1665 PolarHBondContact O-N 3.38Å; T1662-T1666 WeakPolarHBondContact O-CB 3.32Å; T1662-T1666 PolarHBondContact O-N 3.36Å; T1662-T1666 PolarHBondContact O-OG1 2.93Å; T1662-T1666 VanDerWaalsContact O-OG1 3.1Å; T1662-E1712 VanDerWaalsContact C-OE2 3.27Å; T1662-E1712 VanDerWaalsContact CB-OE1 3.26Å; T1662-E1712 WeakPolarHBondContact CB-OE1 3.48Å; T1662-E1712 VanDerWaalsContact CB-OE2 3.27Å; T1662-E1712 WeakPolarHBondContact CB-OE2 3.41Å; T1662-E1712 PolarHBondContact OG1-OE1 3.11Å; T1662-E1712 PolarHBondContact OG1-OE2 3.16Å |
| 1663 | L | 75.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.7 | -34.2 | 174.5 | -68.9 | 170 | 0 | 0 | 0 | 113.4 | L1652 K1659 T1661 L1667 E1712 L1716 | L1652-L1663 HydrophobicContact CB-CD1 3.97Å; L1652-L1663 HydrophobicContact CD1-CD2 4.39Å; K1659-L1663 HydrophobicContact CB-CD1 4.01Å; K1659-L1663 HydrophobicContact CB-CG 4.19Å; K1659-L1663 WeakPolarHBondContact O-CB 3.48Å; K1659-L1663 VanDerWaalsContact O-CG 3.3Å; K1659-L1663 WeakPolarHBondContact O-CG 3.48Å; K1659-L1663 PolarHBondContact O-N 3.44Å; T1661-L1663 PolarHBondContact O-N 3.45Å; L1663-L1667 WeakPolarHBondContact O-CB 3.2Å; L1663-L1667 PolarHBondContact O-N 3.41Å; L1663-L1667 VanDerWaalsContact O-N 3.08Å; L1663-E1712 HydrophobicContact CD2-CB 4.41Å; L1663-L1716 HydrophobicContact CD2-CD1 4.18Å; L1663-L1716 HydrophobicContact CD2-CG 4.11Å |
| 1664 | V | 79 | Confident | 76.9 | Confident | 44 Ų | 44 | 76.9 Ų | 76.9 | 27% | 0.267 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 172.1 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | M1649 K1660 T1661 T1662 K1668 | M1649-V1664 HydrophobicContact CE-CB 3.95Å; M1649-V1664 HydrophobicContact CE-CG2 3.19Å; K1660-V1664 WeakPolarHBondContact O-CG2 3.48Å; K1660-V1664 PolarHBondContact O-N 3.38Å; K1660-V1664 VanDerWaalsContact O-N 3.17Å; T1661-V1664 WeakPolarHBondContact O-CB 3.34Å; T1661-V1664 PolarHBondContact O-N 3.33Å; T1661-V1664 VanDerWaalsContact O-N 3.14Å; T1662-V1664 VanDerWaalsContact C-N 3.32Å; T1662-V1664 PolarHBondContact O-N 3.49Å; V1664-K1668 HydrophobicContact CG1-CD 4.22Å; V1664-K1668 WeakPolarHBondContact O-CB 3.47Å; V1664-K1668 VanDerWaalsContact O-CG 3.31Å; V1664-K1668 WeakPolarHBondContact O-CG 3.34Å; V1664-K1668 PolarHBondContact O-N 3.01Å |
| 1665 | E | 80.5 | Confident | 76.7 | Confident | 114 Ų | 114 | 70.4 Ų | 70.4 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.3 | -47 | -179.4 | -72.3 | 178.4 | -167.5 | 0 | 0 | 112.2 | T1661 T1662 L1667 K1668 K1669 | T1661-E1665 PolarHBondContact O-N 3.49Å; T1662-E1665 PolarHBondContact O-N 3.38Å; E1665-L1667 VanDerWaalsContact C-N 3.29Å; E1665-L1667 PolarHBondContact O-N 3.36Å; E1665-K1668 WeakPolarHBondContact O-CB 3.48Å; E1665-K1668 PolarHBondContact O-N 3.36Å; E1665-K1668 VanDerWaalsContact O-N 3.12Å; E1665-K1669 WeakPolarHBondContact O-CG 3.48Å; E1665-K1669 PolarHBondContact O-N 2.93Å |
| 1666 | T | 77.5 | Confident | 77 | Confident | 12 Ų | 12 | 71.2 Ų | 71.2 | 7% | 0.074 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 176.1 | -57 | 0 | 0 | 0 | 0 | 110.9 | T1662 K1669 F1670 F1708 E1712 L1713 L1716 | T1662-T1666 WeakPolarHBondContact O-CB 3.32Å; T1662-T1666 PolarHBondContact O-N 3.36Å; T1662-T1666 PolarHBondContact O-OG1 2.93Å; T1662-T1666 VanDerWaalsContact O-OG1 3.1Å; T1666-K1669 PolarHBondContact O-N 3.38Å; T1666-F1670 WeakPolarHBondContact O-CB 3.29Å; T1666-F1670 PolarHBondContact O-N 3.08Å; T1666-F1708 HydrophobicContact CG2-CE1 4.24Å; T1666-F1708 HydrophobicContact CG2-CZ 4.05Å; T1666-E1712 HydrophobicContact CG2-CB 3.98Å; T1666-E1712 PolarHBondContact OG1-OE2 3.01Å; T1666-L1713 HydrophobicContact CG2-CB 4.38Å; T1666-L1716 HydrophobicContact CG2-CD1 4.04Å |
| 1667 | L | 76.8 | Confident | 77.1 | Confident | 16 Ų | 16 | 72.1 Ų | 72.1 | 8% | 0.084 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 173.3 | -173.5 | 147.9 | 0 | 0 | 0 | 112.6 | M1649 L1663 E1665 F1670 T1671 L1716 | M1649-L1667 HydrophobicContact CB-CD1 4.1Å; M1649-L1667 HydrophobicContact CG-CD1 4.32Å; M1649-L1667 HydrophobicContact SD-CD1 3.86Å; L1663-L1667 WeakPolarHBondContact O-CB 3.2Å; L1663-L1667 PolarHBondContact O-N 3.41Å; L1663-L1667 VanDerWaalsContact O-N 3.08Å; E1665-L1667 VanDerWaalsContact C-N 3.29Å; E1665-L1667 PolarHBondContact O-N 3.36Å; L1667-F1670 PolarHBondContact O-N 3.08Å; L1667-T1671 HydrophobicContact CD2-CG2 4.31Å; L1667-T1671 WeakPolarHBondContact O-CG2 3.38Å; L1667-T1671 PolarHBondContact O-N 2.92Å; L1667-T1671 PolarHBondContact O-OG1 3.3Å; L1667-L1716 HydrophobicContact CD1-CD2 4.33Å |
| 1668 | K | 78.3 | Confident | 77.4 | Confident | 134 Ų | 134 | 68.7 Ų | 68.7 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 172.8 | -77.9 | 173.9 | 178.4 | -179.8 | 0 | 112.4 | V1664 E1665 T1671 S1672 | V1664-K1668 HydrophobicContact CG1-CD 4.22Å; V1664-K1668 WeakPolarHBondContact O-CB 3.47Å; V1664-K1668 VanDerWaalsContact O-CG 3.31Å; V1664-K1668 WeakPolarHBondContact O-CG 3.34Å; V1664-K1668 PolarHBondContact O-N 3.01Å; E1665-K1668 WeakPolarHBondContact O-CB 3.48Å; E1665-K1668 PolarHBondContact O-N 3.36Å; E1665-K1668 VanDerWaalsContact O-N 3.12Å; K1668-T1671 PolarHBondContact O-OG1 3.33Å; K1668-S1672 PolarHBondContact O-N 2.95Å; K1668-S1672 PolarHBondContact O-OG 3.19Å |
| 1669 | K | 76.5 | Confident | 77.5 | Confident | 91 Ų | 91 | 66.4 Ų | 66.4 | 40% | 0.396 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 175.2 | -68.6 | -176.7 | 179 | -174.2 | 0 | 111.5 | E1665 T1666 S1672 L1673 F1708 | E1665-K1669 WeakPolarHBondContact O-CG 3.48Å; E1665-K1669 PolarHBondContact O-N 2.93Å; T1666-K1669 PolarHBondContact O-N 3.38Å; K1669-S1672 PolarHBondContact O-OG 3.08Å; K1669-L1673 PolarHBondContact O-N 3.17Å; K1669-F1708 HydrophobicContact CB-CD2 4.1Å; K1669-F1708 HydrophobicContact CB-CE2 3.56Å; K1669-F1708 HydrophobicContact CB-CZ 4.49Å; K1669-F1708 HydrophobicContact CD-CD2 4.26Å; K1669-F1708 HydrophobicContact CD-CE2 4.41Å |
| 1670 | F | 77.1 | Confident | 77.6 | Confident | 7 Ų | 7 | 66.3 Ų | 66.3 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -72.2 | -36.6 | 178.8 | -177.5 | -103.9 | 0 | 0 | 0 | 113.3 | I1588 T1645 T1666 L1667 S1672 L1673 K1701 F1708 L1713 L1717 | I1588-F1670 HydrophobicContact CD1-CE2 3.87Å; I1588-F1670 HydrophobicContact CD1-CZ 4.11Å; T1645-F1670 HydrophobicContact CG2-CD1 4.47Å; T1645-F1670 HydrophobicContact CG2-CE1 4.45Å; T1666-F1670 WeakPolarHBondContact O-CB 3.29Å; T1666-F1670 PolarHBondContact O-N 3.08Å; L1667-F1670 PolarHBondContact O-N 3.08Å; F1670-S1672 VanDerWaalsContact C-N 3.33Å; F1670-L1673 HydrophobicContact CD2-CD1 3.84Å; F1670-L1673 HydrophobicContact CE2-CD1 4.38Å; F1670-L1673 PolarHBondContact O-N 2.93Å; F1670-K1701 HydrophobicContact CE1-CD 4.34Å; F1670-K1701 HydrophobicContact CE2-CD 3.83Å; F1670-K1701 HydrophobicContact CZ-CD 3.73Å; F1670-K1701 PolarHBondContact O-NZ 3.37Å; F1670-F1708 HydrophobicContact CB-CZ 4.43Å; F1670-L1713 HydrophobicContact CB-CD1 4.27Å; F1670-L1713 HydrophobicContact CD2-CD1 3.41Å; F1670-L1713 VanDerWaalsContact CD2-CD1 3.41Å; F1670-L1713 HydrophobicContact CD2-CD2 4.26Å; F1670-L1713 HydrophobicContact CD2-CG 4.5Å; F1670-L1713 HydrophobicContact CE2-CD1 3.81Å; F1670-L1713 HydrophobicContact CG-CD1 3.82Å; F1670-L1717 HydrophobicContact CZ-CD2 4.39Å |
| 1671 | T | 73.2 | Confident | 77.8 | Confident | 63 Ų | 63 | 61.1 Ų | 61.1 | 39% | 0.387 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.2 | -27.5 | 175.3 | 50 | 0 | 0 | 0 | 0 | 112.6 | L1667 K1668 | L1667-T1671 HydrophobicContact CD2-CG2 4.31Å; L1667-T1671 WeakPolarHBondContact O-CG2 3.38Å; L1667-T1671 PolarHBondContact O-N 2.92Å; L1667-T1671 PolarHBondContact O-OG1 3.3Å; K1668-T1671 PolarHBondContact O-OG1 3.33Å |
| 1672 | S | 77 | Confident | 78.1 | Confident | 93 Ų | 93 | 58.2 Ų | 58.2 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -78.4 | -15.1 | 174.2 | 67.7 | 0 | 0 | 0 | 0 | 115.3 | K1668 K1669 F1670 T1674 | K1668-S1672 PolarHBondContact O-N 2.95Å; K1668-S1672 PolarHBondContact O-OG 3.19Å; K1669-S1672 PolarHBondContact O-OG 3.08Å; F1670-S1672 VanDerWaalsContact C-N 3.33Å; S1672-T1674 PolarHBondContact O-N 3.39Å |
| 1673 | L | 74.7 | Confident | 78.5 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 12% | 0.12 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -61.9 | 133.2 | 176.4 | -70.2 | 172.9 | 0 | 0 | 0 | 112.2 | K1669 F1670 T1675 K1701 I1703 | K1669-L1673 PolarHBondContact O-N 3.17Å; F1670-L1673 HydrophobicContact CD2-CD1 3.84Å; F1670-L1673 HydrophobicContact CE2-CD1 4.38Å; F1670-L1673 PolarHBondContact O-N 2.93Å; L1673-T1675 PolarHBondContact O-N 3.3Å; L1673-K1701 HydrophobicContact CB-CD 4.33Å; L1673-K1701 HydrophobicContact CB-CG 4.41Å; L1673-K1701 PolarHBondContact O-NZ 2.87Å; L1673-I1703 HydrophobicContact CD1-CG1 4.05Å |
| 1674 | T | 75.5 | Confident | 78.9 | Confident | 101 Ų | 101 | 58.2 Ų | 58.2 | 62% | 0.62 | 31% | 0.307 | S | S | * | . | trans | -60.2 | 121.6 | 179 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | S1672 | S1672-T1674 PolarHBondContact O-N 3.39Š| ||
| 1675 | T | 74.3 | Confident | 78.9 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 115.5 | 177.8 | -49.9 | 0 | 0 | 0 | 0 | 110.3 | L1673 V1699 K1701 | L1673-T1675 PolarHBondContact O-N 3.3Å; T1675-V1699 HydrophobicContact CG2-CG1 3.41Å; T1675-V1699 VanDerWaalsContact CG2-CG1 3.41Å; T1675-K1701 WeakPolarHBondContact OG1-CE 3.47Å; T1675-K1701 PolarHBondContact OG1-NZ 3.4Å |
| 1676 | K | 80.8 | Confident | 78.6 | Confident | 132 Ų | 132 | 52.8 Ų | 52.8 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 141 | 174.1 | -69.8 | -176.6 | 178.3 | -179.7 | 0 | 110.6 | H1700 | K1676-H1700 HydrophobicContact CB-CB 4.48Å; K1676-H1700 PolarHBondContact N-O 2.95Å; K1676-H1700 PolarHBondContact O-N 3.21Å |
| 1677 | I | 80.1 | Confident | 78.7 | Confident | 79 Ų | 79 | 52.3 Ų | 52.3 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119 | 171.6 | -59.4 | 174.3 | 0 | 0 | 0 | 107.9 | K1634 T1697 V1698 | K1634-I1677 HydrophobicContact CG-CD1 4.4Å; I1677-T1697 HydrophobicContact CD1-CG2 4.31Å; I1677-T1697 HydrophobicContact CG1-CG2 4.47Å; I1677-T1697 HydrophobicContact CG2-CG2 3.93Å; I1677-V1698 CarbonylContact C-O 3.55Å; I1677-V1698 WeakPolarHBondContact CA-O 3.49Å |
| 1678 | I | 79.4 | Confident | 79 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -47.4 | -176.8 | -70.2 | -174.2 | 0 | 0 | 0 | 111.3 | V1698 H1700 V1746 R1749 | I1678-V1698 HydrophobicContact CB-CB 4.42Å; I1678-V1698 HydrophobicContact CB-CG1 4.17Å; I1678-V1698 PolarHBondContact N-O 2.94Å; I1678-H1700 HydrophobicContact CD1-CB 3.49Å; I1678-H1700 VanDerWaalsContact CD1-CB 3.49Å; I1678-H1700 HydrophobicContact CG1-CB 3.8Å; I1678-V1746 HydrophobicContact CD1-CB 4.09Å; I1678-V1746 HydrophobicContact CD1-CG1 3.79Å; I1678-V1746 HydrophobicContact CD1-CG2 3.52Å; I1678-R1749 PolarHBondContact O-NH1 3.22Å; I1678-R1749 PolarHBondContact O-NH2 2.98Å; I1678-R1749 VanDerWaalsContact O-NH2 3.12Å |
| 1679 | Y | 81.9 | Confident | 79.3 | Confident | 76 Ų | 76 | 45.1 Ų | 45.1 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 142.9 | -172.3 | -177.6 | -106 | 0 | 0 | 0 | 110 | Y1682 V1698 | Y1679-Y1682 WeakPolarHBondContact CE1-O 3.45Å; Y1679-Y1682 PolarHBondContact OH-N 3.34Å; Y1679-Y1682 PolarHBondContact OH-O 2.87Å; Y1679-V1698 HydrophobicContact CD1-CG2 4.21Å; Y1679-V1698 PolarHBondContact O-N 3.33Å |
| 1680 | S | 79.1 | Confident | 79.7 | Confident | 70 Ų | 70 | 40.8 Ų | 40.8 | 49% | 0.49 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 121.4 | 172.1 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | P1696 | S1680-P1696 WeakPolarHBondContact CA-O 3.45Å |
| 1681 | G | 81.2 | Confident | 80.1 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 12% | 0.124 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 154.7 | -160 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1695 P1696 | G1681-E1695 WeakPolarHBondContact O-CA 3.39Å; G1681-P1696 VanDerWaalsContact O-CD 3.31Å; G1681-P1696 WeakPolarHBondContact O-CD 3.49Å |
| 1682 | Y | 85.8 | Confident | 80.7 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 14% | 0.137 | 21% | 0.21 | C | C | . | . | trans | -66 | 139.5 | 177.8 | -175 | -107.3 | 0 | 0 | 0 | 112.7 | I1547 N1562 P1563 Y1679 D1684 N1688 W1693 | I1547-Y1682 HydrophobicContact CD1-CD2 4.19Å; I1547-Y1682 HydrophobicContact CD1-CG 4.43Å; N1562-Y1682 PolarHBondContact ND2-OH 3.21Å; N1562-Y1682 WeakPolarHBondContact OD1-CE2 3.24Å; N1562-Y1682 PolarHBondContact OD1-OH 3.09Å; P1563-Y1682 HydrophobicContact CG-CD2 3.74Å; P1563-Y1682 HydrophobicContact CG-CE2 4.06Å; Y1679-Y1682 WeakPolarHBondContact CE1-O 3.45Å; Y1679-Y1682 PolarHBondContact OH-N 3.34Å; Y1679-Y1682 PolarHBondContact OH-O 2.87Å; Y1682-D1684 HydrophobicContact CE1-CB 4.04Å; Y1682-N1688 PolarHBondContact OH-ND2 3.46Å; Y1682-W1693 HydrophobicContact CD2-CB 4.37Å; Y1682-W1693 AromaticContact CD2-CD1 3.83Å; Y1682-W1693 HydrophobicContact CD2-CG 4.18Å; Y1682-W1693 HydrophobicContact CE2-CB 3.78Å; Y1682-W1693 AromaticContact CE2-CG 3.94Å; Y1682-W1693 HydrophobicContact CE2-CG 3.94Å | ||
| 1683 | L | 84.6 | Confident | 81.2 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | trans | -117.2 | 119.5 | 166.5 | -176.9 | 67.4 | 0 | 0 | 0 | 109.9 | I1585 D1685 N1688 I1694 P1696 I1742 | I1585-L1683 HydrophobicContact CD1-CD2 4.11Å; L1683-D1685 HydrophobicContact CD2-CB 4.31Å; L1683-D1685 HydrophobicContact CG-CB 4.24Å; L1683-D1685 PolarHBondContact O-N 3.47Å; L1683-D1685 VanDerWaalsContact O-N 3.09Å; L1683-N1688 PolarHBondContact O-ND2 3.45Å; L1683-I1694 PolarHBondContact N-O 2.98Å; L1683-P1696 HydrophobicContact CB-CG 3.71Å; L1683-P1696 HydrophobicContact CD2-CG 4.04Å; L1683-P1696 HydrophobicContact CG-CG 4.39Å; L1683-I1742 HydrophobicContact CD1-CD1 3.89Å; L1683-I1742 HydrophobicContact CD1-CG1 4.26Å; L1683-I1742 HydrophobicContact CD2-CD1 4.16Å | ||
| 1684 | D | 83.6 | Confident | 81.8 | Confident | 36 Ų | 36 | 32.7 Ų | 32.7 | 19% | 0.193 | 18% | 0.175 | C | C | . | . | trans | -69.4 | 103.1 | 168.7 | 173.9 | 37.2 | 0 | 0 | 0 | 109.3 | R1496 Y1682 K1741 | R1496-D1684 IonicContact CZ-OD1 3.85Å; R1496-D1684 VanDerWaalsContact CZ-OD1 3.28Å; R1496-D1684 IonicContact NH1-OD1 2.64Å; R1496-D1684 PolarHBondContact NH1-OD1 2.87Å; R1496-D1684 IonicContact NH2-OD1 3.97Å; R1496-D1684 PolarHBondContact NH2-OD1 3.42Å; Y1682-D1684 HydrophobicContact CE1-CB 4.04Å; D1684-K1741 IonicContact OD2-NZ 2.72Å; D1684-K1741 PolarHBondContact OD2-NZ 3.2Å | ||
| 1685 | D | 78.4 | Confident | 82.3 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | trans | -136.4 | 146.7 | -172.7 | -174.2 | -82.4 | 0 | 0 | 0 | 111.4 | R1496 L1683 I1687 N1688 R1736 S1738 | R1496-D1685 VanDerWaalsContact NH2-C 3.35Å; R1496-D1685 PolarHBondContact NH2-O 2.88Å; L1683-D1685 HydrophobicContact CD2-CB 4.31Å; L1683-D1685 HydrophobicContact CG-CB 4.24Å; L1683-D1685 PolarHBondContact O-N 3.47Å; L1683-D1685 VanDerWaalsContact O-N 3.09Å; D1685-I1687 PolarHBondContact O-N 3.38Å; D1685-I1687 PolarHBondContact OD1-N 3.46Å; D1685-N1688 PolarHBondContact N-ND2 3.07Å; D1685-N1688 WeakPolarHBondContact O-CB 3.23Å; D1685-N1688 PolarHBondContact O-N 2.87Å; D1685-R1736 VanDerWaalsContact CG-NH2 3.31Å; D1685-R1736 IonicContact OD1-CZ 2.76Å; D1685-R1736 IonicContact OD1-NE 3.98Å; D1685-R1736 IonicContact OD1-NH2 3.13Å; D1685-R1736 PolarHBondContact OD1-NH2 2.85Å; D1685-R1736 IonicContact OD2-CZ 2.59Å; D1685-R1736 IonicContact OD2-NE 3.35Å; D1685-R1736 PolarHBondContact OD2-NE 2.77Å; D1685-R1736 IonicContact OD2-NH2 2.73Å; D1685-R1736 PolarHBondContact OD2-NH2 3.23Å; D1685-S1738 VanDerWaalsContact OD2-CB 3.26Å; D1685-S1738 WeakPolarHBondContact OD2-CB 3.2Å; D1685-S1738 PolarHBondContact OD2-OG 2.69Å | ||
| 1686 | T | 75.1 | Confident | 82.8 | Confident | 40 Ų | 40 | 25.8 Ų | 25.8 | 25% | 0.245 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -5.2 | -178 | 59 | 0 | 0 | 0 | 0 | 114.7 | T1494 | T1494-T1686 VanDerWaalsContact CB-O 3.23Å; T1494-T1686 WeakPolarHBondContact CB-O 3.36Å; T1494-T1686 VanDerWaalsContact CG2-O 3.3Å; T1494-T1686 WeakPolarHBondContact CG2-O 3.42Å; T1494-T1686 PolarHBondContact N-O 3.48Å; T1494-T1686 PolarHBondContact OG1-O 2.81Å |
| 1687 | I | 78.3 | Confident | 83.1 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -12.7 | 172.4 | -63.7 | -175.8 | 0 | 0 | 0 | 113.2 | D1492 T1494 H1574 L1575 D1685 I1694 | D1492-I1687 HydrophobicContact CB-CD1 4.02Å; D1492-I1687 HydrophobicContact CB-CG1 4.24Å; T1494-I1687 WeakPolarHBondContact CG2-O 3.49Å; H1574-I1687 HydrophobicContact CB-CG2 4.43Å; L1575-I1687 HydrophobicContact CD1-CG2 4.34Å; L1575-I1687 HydrophobicContact CD2-CG2 3.75Å; L1575-I1687 HydrophobicContact CG-CG2 3.78Å; D1685-I1687 PolarHBondContact O-N 3.38Å; D1685-I1687 PolarHBondContact OD1-N 3.46Å; I1687-I1694 HydrophobicContact CB-CD1 4.31Å |
| 1688 | N | 84.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -70.6 | 133 | -178.8 | -62.1 | -13.7 | 0 | 0 | 0 | 113.3 | T1567 Y1682 L1683 D1685 A1692 W1693 I1694 | T1567-N1688 PolarHBondContact OG1-O 3.2Å; Y1682-N1688 PolarHBondContact OH-ND2 3.46Å; L1683-N1688 PolarHBondContact O-ND2 3.45Å; D1685-N1688 PolarHBondContact N-ND2 3.07Å; D1685-N1688 WeakPolarHBondContact O-CB 3.23Å; D1685-N1688 PolarHBondContact O-N 2.87Å; N1688-A1692 WeakPolarHBondContact CA-O 3.3Å; N1688-W1693 HydrophobicContact CB-CB 4.28Å; N1688-W1693 WeakPolarHBondContact OD1-CA 3.33Å; N1688-I1694 PolarHBondContact OD1-N 3.28Å | ||
| 1689 | T | 85 | Confident | 83.6 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -106.9 | -178.9 | 172.1 | 65.4 | 0 | 0 | 0 | 0 | 111.1 | T1494 N1562 T1567 V1569 G1571 N1691 A1692 | T1494-T1689 HydrophobicContact CG2-CG2 4.08Å; N1562-T1689 WeakPolarHBondContact CB-O 3.35Å; N1562-T1689 PolarHBondContact ND2-O 3.48Å; T1567-T1689 VanDerWaalsContact OG1-C 3.3Å; T1567-T1689 WeakPolarHBondContact OG1-CA 3.37Å; V1569-T1689 HydrophobicContact CB-CG2 4.36Å; V1569-T1689 HydrophobicContact CG1-CG2 3.94Å; V1569-T1689 WeakPolarHBondContact O-CB 3.3Å; G1571-T1689 VanDerWaalsContact O-CB 3.24Å; G1571-T1689 WeakPolarHBondContact O-CB 3.48Å; G1571-T1689 PolarHBondContact O-OG1 3.1Å; T1689-N1691 PolarHBondContact O-N 2.99Å; T1689-N1691 PolarHBondContact OG1-N 3.35Å; T1689-A1692 PolarHBondContact N-O 2.82Å; T1689-A1692 PolarHBondContact OG1-N 3.41Å; T1689-A1692 PolarHBondContact OG1-O 3.36Å | ||
| 1690 | D | 84.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -62.9 | -21.1 | 171.8 | -70 | -18.6 | 0 | 0 | 0 | 112.3 | W1504 C1513 N1562 R1566 T1567 G1568 V1569 N1570 | W1504-D1690 HydrophobicContact CH2-CB 4.21Å; C1513-D1690 PolarHBondContact SG-OD2 3.07Å; N1562-D1690 WeakPolarHBondContact CB-O 3.42Å; N1562-D1690 PolarHBondContact N-O 3.03Å; R1566-D1690 WeakPolarHBondContact CA-OD1 3.4Å; T1567-D1690 PolarHBondContact N-OD1 2.93Å; T1567-D1690 PolarHBondContact OG1-N 3.15Å; T1567-D1690 PolarHBondContact OG1-OD1 3.2Å; G1568-D1690 PolarHBondContact N-OD1 3.48Å; V1569-D1690 PolarHBondContact N-OD2 2.85Å; V1569-D1690 VanDerWaalsContact O-CB 3.25Å; V1569-D1690 WeakPolarHBondContact O-CB 3.42Å; V1569-D1690 PolarHBondContact O-N 3.06Å; N1570-D1690 PolarHBondContact OD1-OD2 3.42Å |
| 1691 | N | 84.6 | Confident | 84.1 | Confident | 8 Ų | 8 | 9.4 Ų | 9.4 | 4% | 0.043 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -126.2 | -0.9 | -172.4 | -46.2 | 120.2 | 0 | 0 | 0 | 116.2 | C1559 P1560 G1571 W1578 G1579 T1689 | C1559-N1691 HydrophobicContact CB-CB 4.28Å; C1559-N1691 WeakPolarHBondContact CB-ND2 3.38Å; P1560-N1691 WeakPolarHBondContact CG-O 3.46Å; P1560-N1691 WeakPolarHBondContact O-CA 3.25Å; P1560-N1691 PolarHBondContact O-ND2 3.34Å; G1571-N1691 PolarHBondContact N-OD1 2.86Å; W1578-N1691 HydrophobicContact CE3-CB 3.72Å; W1578-N1691 HydrophobicContact CZ3-CB 3.71Å; G1579-N1691 WeakPolarHBondContact CA-O 3.34Å; G1579-N1691 PolarHBondContact N-O 2.95Å; T1689-N1691 PolarHBondContact O-N 2.99Å; T1689-N1691 PolarHBondContact OG1-N 3.35Å |
| 1692 | A | 85.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 140.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | K1572 L1575 G1579 N1688 T1689 | K1572-A1692 WeakPolarHBondContact O-CB 3.19Å; L1575-A1692 HydrophobicContact CB-CB 4.29Å; L1575-A1692 HydrophobicContact CD1-CB 3.75Å; G1579-A1692 WeakPolarHBondContact O-CA 3.28Å; N1688-A1692 WeakPolarHBondContact CA-O 3.3Å; T1689-A1692 PolarHBondContact N-O 2.82Å; T1689-A1692 PolarHBondContact OG1-N 3.41Å; T1689-A1692 PolarHBondContact OG1-O 3.36Å |
| 1693 | W | 87.5 | Confident | 84 | Confident | 2 Ų | 2 | 9.6 Ų | 9.6 | 1% | 0.008 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 164.1 | -176.6 | 60.7 | 90.1 | 0 | 0 | 0 | 112.1 | T1545 P1560 R1561 N1562 P1563 G1579 A1580 N1581 Y1682 N1688 E1695 | T1545-W1693 HydrophobicContact CG2-CH2 4.38Å; T1545-W1693 HydrophobicContact CG2-CZ2 3.67Å; P1560-W1693 HydrophobicContact CB-CH2 4.06Å; P1560-W1693 HydrophobicContact CB-CZ3 4.19Å; R1561-W1693 VanDerWaalsContact O-CH2 3.29Å; R1561-W1693 WeakPolarHBondContact O-CH2 3.32Å; R1561-W1693 WeakPolarHBondContact O-CZ3 3.3Å; N1562-W1693 HydrophobicContact CB-CE3 4.01Å; N1562-W1693 HydrophobicContact CB-CZ3 4.41Å; P1563-W1693 VanDerWaalsContact CD-CD2 3.49Å; P1563-W1693 HydrophobicContact CG-CD2 4.32Å; P1563-W1693 HydrophobicContact CG-CZ2 4.15Å; G1579-W1693 PolarHBondContact O-N 3.36Å; A1580-W1693 HydrophobicContact CB-CZ2 4.1Å; N1581-W1693 WeakPolarHBondContact CB-O 3.42Å; N1581-W1693 PolarHBondContact N-O 3Å; Y1682-W1693 HydrophobicContact CD2-CB 4.37Å; Y1682-W1693 AromaticContact CD2-CD1 3.83Å; Y1682-W1693 HydrophobicContact CD2-CG 4.18Å; Y1682-W1693 HydrophobicContact CE2-CB 3.78Å; Y1682-W1693 AromaticContact CE2-CG 3.94Å; Y1682-W1693 HydrophobicContact CE2-CG 3.94Å; N1688-W1693 HydrophobicContact CB-CB 4.28Å; N1688-W1693 WeakPolarHBondContact OD1-CA 3.33Å; W1693-E1695 PolarHBondContact NE1-OE1 2.92Å |
| 1694 | I | 86.9 | Confident | 83.4 | Confident | 5 Ų | 5 | 13.6 Ų | 13.6 | 3% | 0.026 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132.6 | 179.8 | -51.6 | 175 | 0 | 0 | 0 | 110.7 | L1575 A1583 L1683 I1687 N1688 P1696 | L1575-I1694 HydrophobicContact CD1-CG1 4.29Å; L1575-I1694 HydrophobicContact CD2-CD1 4.2Å; L1575-I1694 HydrophobicContact CD2-CG1 3.76Å; A1583-I1694 HydrophobicContact CB-CG2 3.73Å; L1683-I1694 PolarHBondContact N-O 2.98Å; I1687-I1694 HydrophobicContact CB-CD1 4.31Å; N1688-I1694 PolarHBondContact OD1-N 3.28Å; I1694-P1696 WeakPolarHBondContact O-CD 3.36Å |
| 1695 | E | 86.8 | Confident | 82.7 | Confident | 8 Ų | 8 | 14.6 Ų | 14.6 | 4% | 0.037 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 87.8 | 169.5 | -73.7 | -178.1 | -157 | 0 | 0 | 110.2 | T1545 R1546 I1547 A1580 N1581 A1583 G1681 W1693 | T1545-E1695 WeakPolarHBondContact CA-OE1 3.21Å; T1545-E1695 WeakPolarHBondContact CB-OE1 3.42Å; R1546-E1695 PolarHBondContact N-OE2 3.24Å; I1547-E1695 HydrophobicContact CD1-CG 3.95Å; I1547-E1695 VanDerWaalsContact CD1-OE1 3.26Å; I1547-E1695 WeakPolarHBondContact CD1-OE1 3.39Å; I1547-E1695 HydrophobicContact CG1-CG 4.48Å; A1580-E1695 HydrophobicContact CB-CG 4.33Å; A1580-E1695 WeakPolarHBondContact CB-OE1 3.39Å; N1581-E1695 PolarHBondContact O-N 3.32Å; A1583-E1695 PolarHBondContact N-O 2.81Å; G1681-E1695 WeakPolarHBondContact O-CA 3.39Å; W1693-E1695 PolarHBondContact NE1-OE1 2.92Å |
| 1696 | P | 85.7 | Confident | 82 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 143.5 | 179.8 | 32.8 | -37.4 | 0 | 0 | 0 | 113.1 | A1583 I1585 S1680 G1681 L1683 I1694 | A1583-P1696 HydrophobicContact CB-CB 4.35Å; A1583-P1696 CarbonylContact O-C 3.58Å; A1583-P1696 WeakPolarHBondContact O-CA 3.3Å; I1585-P1696 HydrophobicContact CD1-CB 3.52Å; I1585-P1696 HydrophobicContact CD1-CG 4.05Å; I1585-P1696 HydrophobicContact CG1-CB 3.79Å; S1680-P1696 WeakPolarHBondContact CA-O 3.45Å; G1681-P1696 VanDerWaalsContact O-CD 3.31Å; G1681-P1696 WeakPolarHBondContact O-CD 3.49Å; L1683-P1696 HydrophobicContact CB-CG 3.71Å; L1683-P1696 HydrophobicContact CD2-CG 4.04Å; L1683-P1696 HydrophobicContact CG-CG 4.39Å; I1694-P1696 WeakPolarHBondContact O-CD 3.36Å |
| 1697 | T | 85.6 | Confident | 81.4 | Confident | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.043 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 107.1 | 157.9 | -54.6 | 0 | 0 | 0 | 0 | 108 | A1583 I1584 I1585 I1677 V1699 | A1583-T1697 PolarHBondContact O-N 3.47Å; I1584-T1697 WeakPolarHBondContact CA-O 3.49Å; I1585-T1697 PolarHBondContact N-O 3.03Å; I1677-T1697 HydrophobicContact CD1-CG2 4.31Å; I1677-T1697 HydrophobicContact CG1-CG2 4.47Å; I1677-T1697 HydrophobicContact CG2-CG2 3.93Å; T1697-V1699 HydrophobicContact CG2-CG2 4.32Å; T1697-V1699 PolarHBondContact O-N 3.01Å |
| 1698 | V | 85.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 109.6 | -179.6 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | I1585 V1587 I1677 I1678 Y1679 I1742 | I1585-V1698 HydrophobicContact CB-CG2 4.31Å; I1585-V1698 HydrophobicContact CD1-CG2 4.44Å; I1585-V1698 CarbonylContact O-C 3.58Å; I1585-V1698 WeakPolarHBondContact O-CA 3.36Å; V1587-V1698 HydrophobicContact CG2-CG1 3.96Å; I1677-V1698 CarbonylContact C-O 3.55Å; I1677-V1698 WeakPolarHBondContact CA-O 3.49Å; I1678-V1698 HydrophobicContact CB-CB 4.42Å; I1678-V1698 HydrophobicContact CB-CG1 4.17Å; I1678-V1698 PolarHBondContact N-O 2.94Å; Y1679-V1698 HydrophobicContact CD1-CG2 4.21Å; Y1679-V1698 PolarHBondContact O-N 3.33Å; V1698-I1742 HydrophobicContact CG1-CG2 3.9Å; V1698-I1742 HydrophobicContact CG2-CD1 4.18Å; V1698-I1742 HydrophobicContact CG2-CG2 4.4Å |
| 1699 | V | 84.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.2 | -178.6 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | I1584 I1585 L1586 V1587 V1637 F1641 T1675 T1697 | I1584-V1699 HydrophobicContact CG2-CG2 3.94Å; I1585-V1699 PolarHBondContact O-N 3.44Å; L1586-V1699 WeakPolarHBondContact CA-O 3.5Å; L1586-V1699 HydrophobicContact CD1-CG1 4.23Å; V1587-V1699 PolarHBondContact N-O 3.14Å; V1637-V1699 HydrophobicContact CG1-CG2 3.88Å; F1641-V1699 HydrophobicContact CE2-CB 4.44Å; F1641-V1699 HydrophobicContact CE2-CG1 4.08Å; F1641-V1699 HydrophobicContact CE2-CG2 4.4Å; T1675-V1699 HydrophobicContact CG2-CG1 3.41Å; T1675-V1699 VanDerWaalsContact CG2-CG1 3.41Å; T1697-V1699 HydrophobicContact CG2-CG2 4.32Å; T1697-V1699 PolarHBondContact O-N 3.01Å |
| 1700 | H | 87.4 | Confident | 79.1 | Confident | 14 Ų | 14 | 32 Ų | 32 | 7% | 0.065 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 127.9 | 177.9 | 177.8 | -129.4 | 0 | 0 | 0 | 110.9 | V1587 T1589 K1676 I1678 | V1587-H1700 WeakPolarHBondContact O-CA 3.14Å; V1587-H1700 PolarHBondContact O-CD2 3.41Å; T1589-H1700 PolarHBondContact OG1-NE2 2.8Å; K1676-H1700 HydrophobicContact CB-CB 4.48Å; K1676-H1700 PolarHBondContact N-O 2.95Å; K1676-H1700 PolarHBondContact O-N 3.21Å; I1678-H1700 HydrophobicContact CD1-CB 3.49Å; I1678-H1700 VanDerWaalsContact CD1-CB 3.49Å; I1678-H1700 HydrophobicContact CG1-CB 3.8Å |
| 1701 | K | 84.6 | Confident | 78.6 | Confident | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.039 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120.8 | 166.3 | -82.9 | 177.5 | 175.1 | -89.7 | 0 | 107.9 | V1587 I1588 T1589 F1670 L1673 T1675 | V1587-K1701 PolarHBondContact O-N 2.94Å; I1588-K1701 WeakPolarHBondContact CA-O 3.3Å; I1588-K1701 HydrophobicContact CG1-CB 4.49Å; T1589-K1701 PolarHBondContact N-O 2.99Å; F1670-K1701 HydrophobicContact CE1-CD 4.34Å; F1670-K1701 HydrophobicContact CE2-CD 3.83Å; F1670-K1701 HydrophobicContact CZ-CD 3.73Å; F1670-K1701 PolarHBondContact O-NZ 3.37Å; L1673-K1701 HydrophobicContact CB-CD 4.33Å; L1673-K1701 HydrophobicContact CB-CG 4.41Å; L1673-K1701 PolarHBondContact O-NZ 2.87Å; T1675-K1701 WeakPolarHBondContact OG1-CE 3.47Å; T1675-K1701 PolarHBondContact OG1-NZ 3.4Å |
| 1702 | H | 83.9 | Confident | 78 | Confident | 45 Ų | 45 | 37 Ų | 37 | 21% | 0.208 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.7 | 175.6 | -175.5 | 81.7 | 0 | 0 | 0 | 109.7 | T1589 S1704 | T1589-H1702 WeakPolarHBondContact O-CA 3.44Å; T1589-H1702 PolarHBondContact O-ND1 3.09Å; T1589-H1702 PolarHBondContact OG1-ND1 3.3Å; H1702-S1704 PolarHBondContact O-N 3.03Å |
| 1703 | I | 80.2 | Confident | 77.6 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 102.8 | 174.6 | -55 | 178.9 | 0 | 0 | 0 | 107.5 | I1588 T1589 R1590 L1673 F1708 L1713 W1726 | I1588-I1703 HydrophobicContact CG2-CD1 3.94Å; I1588-I1703 HydrophobicContact CG2-CG1 4.2Å; T1589-I1703 PolarHBondContact O-N 3.23Å; R1590-I1703 HydrophobicContact CB-CB 4.31Å; L1673-I1703 HydrophobicContact CD1-CG1 4.05Å; I1703-F1708 HydrophobicContact CD1-CD1 4.33Å; I1703-F1708 HydrophobicContact CD1-CE1 4.44Å; I1703-F1708 HydrophobicContact CG2-CB 3.82Å; I1703-F1708 HydrophobicContact CG2-CD1 4.39Å; I1703-F1708 HydrophobicContact CG2-CD2 4.41Å; I1703-F1708 HydrophobicContact CG2-CG 3.96Å; I1703-L1713 HydrophobicContact CD1-CD2 3.59Å; I1703-W1726 HydrophobicContact CD1-CH2 3.99Å; I1703-W1726 HydrophobicContact CD1-CZ2 4.28Å |
| 1704 | S | 72.3 | Confident | 77.1 | Confident | 99 Ų | 99 | 38.4 Ų | 38.4 | 69% | 0.692 | 20% | 0.199 | S | C | * | . | trans | -87.6 | -20.2 | 177.8 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | H1702 P1706 | H1702-S1704 PolarHBondContact O-N 3.03Å; S1704-P1706 WeakPolarHBondContact O-CD 3.36Å | ||
| 1705 | D | 68.5 | Low | 76.6 | Confident | 57 Ų | 57 | 41.1 Ų | 41.1 | 31% | 0.305 | 21% | 0.212 | S | C | . | . | trans | -81.8 | 116 | 179.6 | 178.6 | 11.1 | 0 | 0 | 0 | 110.7 | Y1707 F1708 | D1705-Y1707 PolarHBondContact O-N 3.5Å; D1705-Y1707 WeakPolarHBondContact OD1-CB 3.47Å; D1705-Y1707 PolarHBondContact OD1-N 3.06Å; D1705-F1708 HydrophobicContact CB-CB 4.28Å; D1705-F1708 WeakPolarHBondContact O-CB 3.41Å; D1705-F1708 PolarHBondContact O-N 3.28Å | ||
| 1706 | P | 64.3 | Low | 75.9 | Confident | 81 Ų | 81 | 41 Ų | 41 | 53% | 0.526 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -12.2 | 176.9 | 31 | -35.1 | 0 | 0 | 0 | 113.7 | S1704 | S1704-P1706 WeakPolarHBondContact O-CD 3.36Š|
| 1707 | Y | 63.6 | Low | 75.3 | Confident | 198 Ų | 198 | 41.7 Ų | 41.7 | 78% | 0.776 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 11.5 | 178.1 | -58.4 | -79.6 | 0 | 0 | 0 | 113.5 | D1705 D1709 | D1705-Y1707 PolarHBondContact O-N 3.5Å; D1705-Y1707 WeakPolarHBondContact OD1-CB 3.47Å; D1705-Y1707 PolarHBondContact OD1-N 3.06Å; Y1707-D1709 PolarHBondContact O-N 3.12Å |
| 1708 | F | 67.1 | Low | 74.6 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -76.3 | 116.1 | 177.3 | -172.6 | -73 | 0 | 0 | 0 | 110.1 | T1666 K1669 F1670 I1703 D1705 H1710 L1713 | T1666-F1708 HydrophobicContact CG2-CE1 4.24Å; T1666-F1708 HydrophobicContact CG2-CZ 4.05Å; K1669-F1708 HydrophobicContact CB-CD2 4.1Å; K1669-F1708 HydrophobicContact CB-CE2 3.56Å; K1669-F1708 HydrophobicContact CB-CZ 4.49Å; K1669-F1708 HydrophobicContact CD-CD2 4.26Å; K1669-F1708 HydrophobicContact CD-CE2 4.41Å; F1670-F1708 HydrophobicContact CB-CZ 4.43Å; I1703-F1708 HydrophobicContact CD1-CD1 4.33Å; I1703-F1708 HydrophobicContact CD1-CE1 4.44Å; I1703-F1708 HydrophobicContact CG2-CB 3.82Å; I1703-F1708 HydrophobicContact CG2-CD1 4.39Å; I1703-F1708 HydrophobicContact CG2-CD2 4.41Å; I1703-F1708 HydrophobicContact CG2-CG 3.96Å; D1705-F1708 HydrophobicContact CB-CB 4.28Å; D1705-F1708 WeakPolarHBondContact O-CB 3.41Å; D1705-F1708 PolarHBondContact O-N 3.28Å; F1708-H1710 PolarHBondContact O-CE1 3.45Å; F1708-H1710 PolarHBondContact O-N 2.66Å; F1708-H1710 PolarHBondContact O-ND1 3.47Å; F1708-L1713 HydrophobicContact CE1-CB 3.76Å; F1708-L1713 HydrophobicContact CE1-CD2 3.64Å; F1708-L1713 HydrophobicContact CE1-CG 4.19Å; F1708-L1713 HydrophobicContact CZ-CB 4.36Å; F1708-L1713 HydrophobicContact CZ-CD1 4.5Å; F1708-L1713 HydrophobicContact CZ-CD2 4.07Å |
| 1709 | D | 61 | Low | 73.6 | Confident | 89 Ų | 89 | 44.6 Ų | 44.6 | 48% | 0.476 | 23% | 0.234 | S | C | . | . | trans | -63.6 | 117.1 | 179.6 | -166 | -18.1 | 0 | 0 | 0 | 111.2 | Y1707 D1711 | Y1707-D1709 PolarHBondContact O-N 3.12Å; D1709-D1711 PolarHBondContact OD1-N 2.89Å | ||
| 1710 | H | 69.8 | Low | 72.4 | Confident | 38 Ų | 38 | 49.3 Ų | 49.3 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -84.6 | -29.2 | -167.5 | -61.7 | -39.9 | 0 | 0 | 0 | 113.3 | R1590 F1708 L1713 I1714 | R1590-H1710 PolarHBondContact NH1-CD2 3.3Å; R1590-H1710 PolarHBondContact NH1-NE2 3.18Å; F1708-H1710 PolarHBondContact O-CE1 3.45Å; F1708-H1710 PolarHBondContact O-N 2.66Å; F1708-H1710 PolarHBondContact O-ND1 3.47Å; H1710-L1713 PolarHBondContact O-N 3.38Å; H1710-I1714 WeakPolarHBondContact O-CG1 3.45Å; H1710-I1714 PolarHBondContact O-N 3Å; H1710-I1714 VanDerWaalsContact O-N 3.11Å |
| 1711 | D | 74.4 | Confident | 71.1 | Confident | 105 Ų | 105 | 52.7 Ų | 52.7 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -76.9 | -36.1 | -170.8 | -72.4 | -9.4 | 0 | 0 | 0 | 111.4 | D1709 L1713 I1714 Q1715 | D1709-D1711 PolarHBondContact OD1-N 2.89Å; D1711-L1713 VanDerWaalsContact C-N 3.32Å; D1711-L1713 PolarHBondContact O-N 3.05Å; D1711-I1714 PolarHBondContact O-N 2.88Å; D1711-Q1715 WeakPolarHBondContact O-CG 3.46Å; D1711-Q1715 PolarHBondContact O-N 3.24Å |
| 1712 | E | 73.1 | Confident | 70.2 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -34.1 | 173.5 | -62.1 | -155.7 | 148.7 | 0 | 0 | 112.5 | K1659 T1662 L1663 T1666 Q1715 L1716 | K1659-E1712 IonicContact NZ-OE1 2.92Å; K1659-E1712 PolarHBondContact NZ-OE1 3.26Å; T1662-E1712 VanDerWaalsContact C-OE2 3.27Å; T1662-E1712 VanDerWaalsContact CB-OE1 3.26Å; T1662-E1712 WeakPolarHBondContact CB-OE1 3.48Å; T1662-E1712 VanDerWaalsContact CB-OE2 3.27Å; T1662-E1712 WeakPolarHBondContact CB-OE2 3.41Å; T1662-E1712 PolarHBondContact OG1-OE1 3.11Å; T1662-E1712 PolarHBondContact OG1-OE2 3.16Å; L1663-E1712 HydrophobicContact CD2-CB 4.41Å; T1666-E1712 HydrophobicContact CG2-CB 3.98Å; T1666-E1712 PolarHBondContact OG1-OE2 3.01Å; E1712-Q1715 PolarHBondContact O-N 3.39Å; E1712-L1716 WeakPolarHBondContact O-CB 3.38Å; E1712-L1716 WeakPolarHBondContact O-CG 3.27Å; E1712-L1716 PolarHBondContact O-N 3.38Å |
| 1713 | L | 76.6 | Confident | 69.6 | Low | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.9 | -38.1 | 174.8 | 177.3 | 67 | 0 | 0 | 0 | 112.2 | I1610 T1666 F1670 I1703 F1708 H1710 D1711 Q1715 L1716 L1717 | I1610-L1713 HydrophobicContact CD1-CD2 4.48Å; T1666-L1713 HydrophobicContact CG2-CB 4.38Å; F1670-L1713 HydrophobicContact CB-CD1 4.27Å; F1670-L1713 HydrophobicContact CD2-CD1 3.41Å; F1670-L1713 VanDerWaalsContact CD2-CD1 3.41Å; F1670-L1713 HydrophobicContact CD2-CD2 4.26Å; F1670-L1713 HydrophobicContact CD2-CG 4.5Å; F1670-L1713 HydrophobicContact CE2-CD1 3.81Å; F1670-L1713 HydrophobicContact CG-CD1 3.82Å; I1703-L1713 HydrophobicContact CD1-CD2 3.59Å; F1708-L1713 HydrophobicContact CE1-CB 3.76Å; F1708-L1713 HydrophobicContact CE1-CD2 3.64Å; F1708-L1713 HydrophobicContact CE1-CG 4.19Å; F1708-L1713 HydrophobicContact CZ-CB 4.36Å; F1708-L1713 HydrophobicContact CZ-CD1 4.5Å; F1708-L1713 HydrophobicContact CZ-CD2 4.07Å; H1710-L1713 PolarHBondContact O-N 3.38Å; D1711-L1713 VanDerWaalsContact C-N 3.32Å; D1711-L1713 PolarHBondContact O-N 3.05Å; L1713-Q1715 VanDerWaalsContact C-N 3.33Å; L1713-L1716 PolarHBondContact O-N 3.19Å; L1713-L1717 HydrophobicContact CD1-CD1 3.71Å; L1713-L1717 HydrophobicContact CD1-CG 4.1Å; L1713-L1717 HydrophobicContact CG-CD1 3.9Å; L1713-L1717 WeakPolarHBondContact O-CB 3.43Å; L1713-L1717 WeakPolarHBondContact O-CG 3.35Å; L1713-L1717 PolarHBondContact O-N 3.29Å; L1713-L1717 VanDerWaalsContact O-N 3.15Å |
| 1714 | I | 77.5 | Confident | 69.4 | Low | 31 Ų | 31 | 56.9 Ų | 56.9 | 16% | 0.159 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 170.6 | -72 | 170.5 | 0 | 0 | 0 | 109.5 | H1710 D1711 L1716 L1717 T1718 A1724 | H1710-I1714 WeakPolarHBondContact O-CG1 3.45Å; H1710-I1714 PolarHBondContact O-N 3Å; H1710-I1714 VanDerWaalsContact O-N 3.11Å; D1711-I1714 PolarHBondContact O-N 2.88Å; I1714-L1716 VanDerWaalsContact C-N 3.33Å; I1714-L1716 PolarHBondContact O-N 2.91Å; I1714-L1717 CarbonylContact O-C 3.57Å; I1714-L1717 PolarHBondContact O-N 3.42Å; I1714-L1717 VanDerWaalsContact O-N 3.08Å; I1714-T1718 HydrophobicContact CG2-CG2 4.2Å; I1714-T1718 PolarHBondContact O-N 3.5Å; I1714-T1718 PolarHBondContact O-OG1 2.87Å; I1714-T1718 VanDerWaalsContact O-OG1 3.07Å; I1714-A1724 HydrophobicContact CG2-CB 4.32Å |
| 1715 | Q | 75.4 | Confident | 69.8 | Low | 62 Ų | 62 | 55.3 Ų | 55.3 | 29% | 0.29 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -35.8 | 179.9 | -69 | 172.9 | 19.3 | 0 | 0 | 113.4 | D1711 E1712 L1713 L1717 T1718 | D1711-Q1715 WeakPolarHBondContact O-CG 3.46Å; D1711-Q1715 PolarHBondContact O-N 3.24Å; E1712-Q1715 PolarHBondContact O-N 3.39Å; L1713-Q1715 VanDerWaalsContact C-N 3.33Å; Q1715-L1717 VanDerWaalsContact C-N 3.31Å; Q1715-L1717 PolarHBondContact O-N 3.03Å; Q1715-T1718 PolarHBondContact O-OG1 3.04Å |
| 1716 | L | 72.9 | Confident | 70.5 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69 | -25.2 | 174.7 | -84.4 | 160.4 | 0 | 0 | 0 | 113.5 | L1652 L1663 T1666 L1667 E1712 L1713 I1714 | L1652-L1716 HydrophobicContact CD1-CD2 4.15Å; L1652-L1716 HydrophobicContact CD1-CG 4.33Å; L1663-L1716 HydrophobicContact CD2-CD1 4.18Å; L1663-L1716 HydrophobicContact CD2-CG 4.11Å; T1666-L1716 HydrophobicContact CG2-CD1 4.04Å; L1667-L1716 HydrophobicContact CD1-CD2 4.33Å; E1712-L1716 WeakPolarHBondContact O-CB 3.38Å; E1712-L1716 WeakPolarHBondContact O-CG 3.27Å; E1712-L1716 PolarHBondContact O-N 3.38Å; L1713-L1716 PolarHBondContact O-N 3.19Å; I1714-L1716 VanDerWaalsContact C-N 3.33Å; I1714-L1716 PolarHBondContact O-N 2.91Å |
| 1717 | L | 72.3 | Confident | 71.1 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -107.4 | -7.9 | -174.9 | -66.2 | 175.1 | 0 | 0 | 0 | 114.6 | L1586 I1588 I1610 Y1612 F1670 L1713 I1714 Q1715 P1719 | L1586-L1717 HydrophobicContact CD2-CD2 4.43Å; I1588-L1717 HydrophobicContact CD1-CD1 3.32Å; I1610-L1717 HydrophobicContact CD1-CD1 4.27Å; Y1612-L1717 PolarHBondContact OH-O 2.82Å; F1670-L1717 HydrophobicContact CZ-CD2 4.39Å; L1713-L1717 HydrophobicContact CD1-CD1 3.71Å; L1713-L1717 HydrophobicContact CD1-CG 4.1Å; L1713-L1717 HydrophobicContact CG-CD1 3.9Å; L1713-L1717 WeakPolarHBondContact O-CB 3.43Å; L1713-L1717 WeakPolarHBondContact O-CG 3.35Å; L1713-L1717 PolarHBondContact O-N 3.29Å; L1713-L1717 VanDerWaalsContact O-N 3.15Å; I1714-L1717 CarbonylContact O-C 3.57Å; I1714-L1717 PolarHBondContact O-N 3.42Å; I1714-L1717 VanDerWaalsContact O-N 3.08Å; Q1715-L1717 VanDerWaalsContact C-N 3.31Å; Q1715-L1717 PolarHBondContact O-N 3.03Å; L1717-P1719 WeakPolarHBondContact O-CD 3.35Å |
| 1718 | T | 71.2 | Confident | 71.6 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 14% | 0.135 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 123.3 | 173.8 | 38.3 | 0 | 0 | 0 | 0 | 112.1 | R1648 I1714 Q1715 A1724 | R1648-T1718 PolarHBondContact NE-O 3.34Å; R1648-T1718 VanDerWaalsContact NE-O 3.1Å; R1648-T1718 PolarHBondContact NH2-O 2.97Å; I1714-T1718 HydrophobicContact CG2-CG2 4.2Å; I1714-T1718 PolarHBondContact O-N 3.5Å; I1714-T1718 PolarHBondContact O-OG1 2.87Å; I1714-T1718 VanDerWaalsContact O-OG1 3.07Å; Q1715-T1718 PolarHBondContact O-OG1 3.04Å; T1718-A1724 HydrophobicContact CG2-CB 3.45Å; T1718-A1724 VanDerWaalsContact CG2-CB 3.45Å |
| 1719 | P | 64.3 | Low | 71.7 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 167.8 | 161.4 | -20.6 | 35.3 | 0 | 0 | 0 | 111.6 | L1717 I1722 | L1717-P1719 WeakPolarHBondContact O-CD 3.35Å; P1719-I1722 HydrophobicContact CB-CD1 4.1Å; P1719-I1722 HydrophobicContact CG-CD1 3.97Å |
| 1720 | E | 60.1 | Low | 72 | Confident | 99 Ų | 99 | 47 Ų | 47 | 46% | 0.463 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 136.1 | 168.4 | -73.2 | 169.6 | -147.6 | 0 | 0 | 110.1 | R1648 H1651 | R1648-E1720 IonicContact NH1-OE1 2.7Å; R1648-E1720 PolarHBondContact NH1-OE1 3.39Å; H1651-E1720 IonicContact CE1-OE1 3.27Å; H1651-E1720 PolarHBondContact CE1-OE1 3.42Å; H1651-E1720 IonicContact ND1-OE1 2.75Å; H1651-E1720 IonicContact NE2-OE1 3.07Å; H1651-E1720 PolarHBondContact NE2-OE1 3.22Å |
| 1721 | G | 60.2 | Low | 71.7 | Confident | 84 Ų | 84 | 49 Ų | 49 | 87% | 0.866 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 5.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 1722 | I | 65.3 | Low | 71.2 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | trans | -126.1 | 134 | -179.2 | -52.6 | 177.5 | 0 | 0 | 0 | 111.9 | V1487 Y1612 P1719 | V1487-I1722 HydrophobicContact CB-CD1 4.3Å; V1487-I1722 HydrophobicContact CG1-CD1 3.64Å; V1487-I1722 HydrophobicContact CG1-CG1 4.15Å; V1487-I1722 HydrophobicContact CG2-CD1 3.68Å; Y1612-I1722 HydrophobicContact CD1-CG2 3.95Å; Y1612-I1722 HydrophobicContact CG-CG2 3.87Å; P1719-I1722 HydrophobicContact CB-CD1 4.1Å; P1719-I1722 HydrophobicContact CG-CD1 3.97Å | ||
| 1723 | N | 71.4 | Confident | 70.6 | Confident | 124 Ų | 124 | 50.7 Ų | 50.7 | 66% | 0.663 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119.4 | 171 | -69.7 | -19.2 | 0 | 0 | 0 | 111 | K1613 | K1613-N1723 PolarHBondContact N-O 3.42Å |
| 1724 | A | 76.8 | Confident | 70 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 137.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1610 V1611 Y1612 I1714 T1718 | I1610-A1724 HydrophobicContact CG2-CB 4.24Å; V1611-A1724 CarbonylContact O-C 3.56Å; V1611-A1724 WeakPolarHBondContact O-CA 3.28Å; Y1612-A1724 HydrophobicContact CD1-CB 3.69Å; Y1612-A1724 HydrophobicContact CE1-CB 3.87Å; I1714-A1724 HydrophobicContact CG2-CB 4.32Å; T1718-A1724 HydrophobicContact CG2-CB 3.45Å; T1718-A1724 VanDerWaalsContact CG2-CB 3.45Å |
| 1725 | V | 80.2 | Confident | 69.6 | Low | 66 Ų | 66 | 52.3 Ų | 52.3 | 40% | 0.4 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 149.2 | -175.3 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | V1611 L1727 | V1611-V1725 PolarHBondContact N-O 3.09Å; V1611-V1725 PolarHBondContact O-N 3.01Å; V1725-L1727 PolarHBondContact O-N 3.04Å |
| 1726 | W | 82 | Confident | 69.5 | Low | 37 Ų | 37 | 51.2 Ų | 51.2 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 114.7 | 165.5 | -70.6 | 104.9 | 0 | 0 | 0 | 110.3 | I1588 R1590 K1608 V1609 I1610 I1703 | I1588-W1726 HydrophobicContact CG2-CH2 3.86Å; I1588-W1726 HydrophobicContact CG2-CZ3 4.39Å; R1590-W1726 HydrophobicContact CB-CH2 4.08Å; R1590-W1726 HydrophobicContact CB-CZ3 4.14Å; R1590-W1726 HydrophobicContact CG-CD2 4.49Å; R1590-W1726 HydrophobicContact CG-CE3 3.96Å; R1590-W1726 HydrophobicContact CG-CH2 3.8Å; R1590-W1726 HydrophobicContact CG-CZ2 4.36Å; R1590-W1726 HydrophobicContact CG-CZ3 3.59Å; K1608-W1726 HydrophobicContact CB-CE3 4.05Å; K1608-W1726 WeakPolarHBondContact O-CZ3 3.44Å; V1609-W1726 WeakPolarHBondContact O-CA 3.34Å; I1610-W1726 HydrophobicContact CD1-CH2 3.81Å; I1610-W1726 HydrophobicContact CD1-CZ2 3.75Å; I1610-W1726 HydrophobicContact CD1-CZ3 4.29Å; I1610-W1726 HydrophobicContact CG1-CD2 3.91Å; I1610-W1726 HydrophobicContact CG1-CE3 3.69Å; I1610-W1726 HydrophobicContact CG1-CH2 3.55Å; I1610-W1726 HydrophobicContact CG1-CZ2 3.74Å; I1610-W1726 HydrophobicContact CG1-CZ3 3.51Å; I1703-W1726 HydrophobicContact CD1-CH2 3.99Å; I1703-W1726 HydrophobicContact CD1-CZ2 4.28Å |
| 1727 | L | 78.3 | Confident | 69.6 | Low | 41 Ų | 41 | 53.8 Ų | 53.8 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 149.4 | 174.1 | -163.2 | 77.6 | 0 | 0 | 0 | 109.7 | K1608 V1609 V1611 V1725 N1731 | K1608-L1727 CarbonylContact C-O 3.5Å; K1608-L1727 VanDerWaalsContact CA-O 3.27Å; K1608-L1727 WeakPolarHBondContact CA-O 3.42Å; V1609-L1727 PolarHBondContact N-O 3.48Å; V1609-L1727 PolarHBondContact O-N 3.36Å; V1611-L1727 HydrophobicContact CG2-CB 3.64Å; V1611-L1727 HydrophobicContact CG2-CD2 4.11Å; V1611-L1727 HydrophobicContact CG2-CG 4.37Å; V1725-L1727 PolarHBondContact O-N 3.04Å; L1727-N1731 WeakPolarHBondContact CD2-O 3.28Å; L1727-N1731 HydrophobicContact CG-CB 4.4Å |
| 1728 | D | 73.7 | Confident | 69.9 | Low | 52 Ų | 52 | 53 Ų | 53 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 138.1 | 167.9 | -160 | -16.2 | 0 | 0 | 0 | 109.8 | L1607 T1730 N1731 | L1607-D1728 VanDerWaalsContact O-OD1 3.06Å; D1728-T1730 PolarHBondContact O-N 2.99Å; D1728-T1730 VanDerWaalsContact O-N 3.13Å; D1728-N1731 PolarHBondContact O-N 3.41Å |
| 1729 | S | 69.4 | Low | 70.5 | Confident | 19 Ų | 19 | 52.1 Ų | 52.1 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -17.2 | -176.9 | 61.1 | 0 | 0 | 0 | 0 | 114.5 | L1607 | L1607-S1729 WeakPolarHBondContact O-CB 3.33Å; L1607-S1729 PolarHBondContact O-N 3.37Å; L1607-S1729 PolarHBondContact O-OG 3.45Å |
| 1730 | T | 66.2 | Low | 71.2 | Confident | 108 Ų | 108 | 51.7 Ų | 51.7 | 66% | 0.663 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -25.7 | 174.9 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | D1728 T1732 | D1728-T1730 PolarHBondContact O-N 2.99Å; D1728-T1730 VanDerWaalsContact O-N 3.13Å; T1730-T1732 PolarHBondContact O-N 3.25Å |
| 1731 | N | 65.3 | Low | 72.2 | Confident | 79 Ų | 79 | 52 Ų | 52 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | trans | -89.7 | 95.8 | -175.5 | -173.1 | -18.1 | 0 | 0 | 0 | 110.3 | L1727 D1728 V1733 | L1727-N1731 WeakPolarHBondContact CD2-O 3.28Å; L1727-N1731 HydrophobicContact CG-CB 4.4Å; D1728-N1731 PolarHBondContact O-N 3.41Å; N1731-V1733 PolarHBondContact OD1-N 3.49Å | ||
| 1732 | T | 64 | Low | 73.3 | Confident | 33 Ų | 33 | 48.2 Ų | 48.2 | 20% | 0.202 | 28% | 0.276 | C | S | . | . | trans | -103.6 | 6.9 | -179.5 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | T1730 G1734 M1735 E1740 L1743 | T1730-T1732 PolarHBondContact O-N 3.25Å; T1732-G1734 PolarHBondContact O-N 3.25Å; T1732-M1735 WeakPolarHBondContact O-CB 3.5Å; T1732-M1735 PolarHBondContact O-N 2.73Å; T1732-E1740 VanDerWaalsContact CB-OE1 3.22Å; T1732-E1740 WeakPolarHBondContact CB-OE1 3.2Å; T1732-E1740 HydrophobicContact CG2-CG 3.86Å; T1732-E1740 PolarHBondContact OG1-OE1 3.49Å; T1732-L1743 HydrophobicContact CG2-CD2 4.33Å | ||
| 1733 | V | 59.8 | Low | 74.1 | Confident | 114 Ų | 114 | 47.8 Ų | 47.8 | 69% | 0.691 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 124.1 | -175.4 | -175.8 | 0 | 0 | 0 | 0 | 111 | N1731 M1735 | N1731-V1733 PolarHBondContact OD1-N 3.49Å; V1733-M1735 PolarHBondContact O-N 3.35Å |
| 1734 | G | 63 | Low | 74.5 | Confident | 52 Ų | 52 | 48.9 Ų | 48.9 | 54% | 0.536 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 11.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G1617 S1618 T1732 | G1617-G1734 CarbonylContact C-O 3.57Å; G1617-G1734 WeakPolarHBondContact CA-O 3.4Å; S1618-G1734 PolarHBondContact N-O 2.92Å; T1732-G1734 PolarHBondContact O-N 3.25Å |
| 1735 | M | 69.8 | Low | 74.6 | Confident | 15 Ų | 15 | 51.9 Ų | 51.9 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -75 | 144.8 | 173.7 | -165.9 | 170.6 | -172.8 | 0 | 0 | 111 | S1618 L1620 T1732 V1733 S1737 H1739 E1740 L1743 | S1618-M1735 WeakPolarHBondContact O-CA 3.45Å; S1618-M1735 VanDerWaalsContact OG-CA 3.3Å; S1618-M1735 WeakPolarHBondContact OG-CA 3.48Å; S1618-M1735 WeakPolarHBondContact OG-CB 3.29Å; L1620-M1735 HydrophobicContact CD1-CE 4.11Å; L1620-M1735 HydrophobicContact CD2-CE 4.1Å; L1620-M1735 HydrophobicContact CG-CE 3.75Å; T1732-M1735 WeakPolarHBondContact O-CB 3.5Å; T1732-M1735 PolarHBondContact O-N 2.73Å; V1733-M1735 PolarHBondContact O-N 3.35Å; M1735-S1737 PolarHBondContact O-N 2.9Å; M1735-H1739 HydrophobicContact CE-CB 3.81Å; M1735-H1739 HydrophobicContact CG-CB 4.42Å; M1735-E1740 HydrophobicContact CG-CB 4.45Å; M1735-E1740 HydrophobicContact SD-CB 4.31Å; M1735-L1743 HydrophobicContact CE-CB 4.14Å; M1735-L1743 HydrophobicContact CE-CD2 3.93Å; M1735-L1743 HydrophobicContact SD-CD2 3.86Å |
| 1736 | R | 74.3 | Confident | 74.4 | Confident | 39 Ų | 39 | 48.8 Ų | 48.8 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | trans | -56.3 | 124.1 | 171.2 | -170.5 | -173.1 | -170.6 | 132.7 | -2.3 | 109.7 | S1618 D1685 S1738 H1739 E1740 | S1618-R1736 PolarHBondContact O-N 3.5Å; S1618-R1736 VanDerWaalsContact O-N 3.1Å; D1685-R1736 VanDerWaalsContact CG-NH2 3.31Å; D1685-R1736 IonicContact OD1-CZ 2.76Å; D1685-R1736 IonicContact OD1-NE 3.98Å; D1685-R1736 IonicContact OD1-NH2 3.13Å; D1685-R1736 PolarHBondContact OD1-NH2 2.85Å; D1685-R1736 IonicContact OD2-CZ 2.59Å; D1685-R1736 IonicContact OD2-NE 3.35Å; D1685-R1736 PolarHBondContact OD2-NE 2.77Å; D1685-R1736 IonicContact OD2-NH2 2.73Å; D1685-R1736 PolarHBondContact OD2-NH2 3.23Å; R1736-S1738 VanDerWaalsContact C-N 3.27Å; R1736-S1738 PolarHBondContact O-N 2.93Å; R1736-S1738 VanDerWaalsContact O-N 3.14Å; R1736-H1739 HydrophobicContact CB-CB 4.17Å; R1736-H1739 CarbonylContact O-C 3.55Å; R1736-H1739 WeakPolarHBondContact O-CA 3.31Å; R1736-H1739 WeakPolarHBondContact O-CB 3.35Å; R1736-H1739 PolarHBondContact O-N 3.22Å; R1736-E1740 PolarHBondContact O-N 3.22Å | ||
| 1737 | S | 73.6 | Confident | 74.1 | Confident | 58 Ų | 58 | 48.2 Ų | 48.2 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.8 | -33.2 | -170.8 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | M1735 K1741 | M1735-S1737 PolarHBondContact O-N 2.9Å; S1737-K1741 WeakPolarHBondContact O-CG 3.38Å; S1737-K1741 PolarHBondContact O-N 3.19Å; S1737-K1741 VanDerWaalsContact O-N 3.08Å |
| 1738 | S | 78.8 | Confident | 73.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 173.1 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | D1685 R1736 K1741 I1742 | D1685-S1738 VanDerWaalsContact OD2-CB 3.26Å; D1685-S1738 WeakPolarHBondContact OD2-CB 3.2Å; D1685-S1738 PolarHBondContact OD2-OG 2.69Å; R1736-S1738 VanDerWaalsContact C-N 3.27Å; R1736-S1738 PolarHBondContact O-N 2.93Å; R1736-S1738 VanDerWaalsContact O-N 3.14Å; S1738-K1741 PolarHBondContact O-N 3.13Å; S1738-I1742 WeakPolarHBondContact O-CG1 3.5Å; S1738-I1742 PolarHBondContact O-N 3.19Å; S1738-I1742 VanDerWaalsContact O-N 3.14Å |
| 1739 | H | 84 | Confident | 73.8 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.9 | -34.4 | 175.5 | -64.3 | 172.3 | 0 | 0 | 0 | 112 | L1620 W1622 M1735 R1736 I1742 L1743 | L1620-H1739 HydrophobicContact CD1-CB 3.93Å; L1620-H1739 HydrophobicContact CG-CB 4.16Å; L1620-H1739 PolarHBondContact N-ND1 3.34Å; W1622-H1739 AromaticContact CD1-CE1 3.96Å; M1735-H1739 HydrophobicContact CE-CB 3.81Å; M1735-H1739 HydrophobicContact CG-CB 4.42Å; R1736-H1739 HydrophobicContact CB-CB 4.17Å; R1736-H1739 CarbonylContact O-C 3.55Å; R1736-H1739 WeakPolarHBondContact O-CA 3.31Å; R1736-H1739 WeakPolarHBondContact O-CB 3.35Å; R1736-H1739 PolarHBondContact O-N 3.22Å; H1739-I1742 PolarHBondContact O-N 3.03Å; H1739-L1743 WeakPolarHBondContact O-CB 3.42Å; H1739-L1743 PolarHBondContact O-N 3.07Å |
| 1740 | E | 79.5 | Confident | 73.8 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 17% | 0.173 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 171.7 | -177.7 | -178.5 | -162.6 | 0 | 0 | 111.1 | T1732 M1735 R1736 I1742 L1743 R1744 | T1732-E1740 VanDerWaalsContact CB-OE1 3.22Å; T1732-E1740 WeakPolarHBondContact CB-OE1 3.2Å; T1732-E1740 HydrophobicContact CG2-CG 3.86Å; T1732-E1740 PolarHBondContact OG1-OE1 3.49Å; M1735-E1740 HydrophobicContact CG-CB 4.45Å; M1735-E1740 HydrophobicContact SD-CB 4.31Å; R1736-E1740 PolarHBondContact O-N 3.22Å; E1740-I1742 VanDerWaalsContact C-N 3.28Å; E1740-I1742 PolarHBondContact O-N 3.43Å; E1740-L1743 PolarHBondContact O-N 3Å; E1740-L1743 VanDerWaalsContact O-N 3.14Å; E1740-R1744 HydrophobicContact CG-CG 4.37Å; E1740-R1744 WeakPolarHBondContact O-CB 3.46Å; E1740-R1744 WeakPolarHBondContact O-CG 3.48Å; E1740-R1744 PolarHBondContact O-N 3.48Å; E1740-R1744 IonicContact OE1-CZ 2.76Å; E1740-R1744 VanDerWaalsContact OE1-CZ 3.3Å; E1740-R1744 IonicContact OE1-NE 3.27Å; E1740-R1744 PolarHBondContact OE1-NE 3.48Å; E1740-R1744 VanDerWaalsContact OE1-NE 3.14Å; E1740-R1744 IonicContact OE1-NH2 2.68Å; E1740-R1744 PolarHBondContact OE1-NH2 3.04Å |
| 1741 | K | 80.7 | Confident | 73.7 | Confident | 107 Ų | 107 | 55.2 Ų | 55.2 | 47% | 0.465 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.3 | -43.3 | 174.2 | -72.7 | 172.7 | -176.6 | 177.5 | 0 | 111.4 | D1684 S1737 S1738 Q1745 | D1684-K1741 IonicContact OD2-NZ 2.72Å; D1684-K1741 PolarHBondContact OD2-NZ 3.2Å; S1737-K1741 WeakPolarHBondContact O-CG 3.38Å; S1737-K1741 PolarHBondContact O-N 3.19Å; S1737-K1741 VanDerWaalsContact O-N 3.08Å; S1738-K1741 PolarHBondContact O-N 3.13Å; K1741-Q1745 PolarHBondContact O-N 2.95Å |
| 1742 | I | 82.7 | Confident | 73.5 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -49.4 | 174.7 | -69.4 | 163.4 | 0 | 0 | 0 | 110.9 | I1585 V1587 L1620 L1683 V1698 S1738 H1739 E1740 R1744 Q1745 V1746 | I1585-I1742 HydrophobicContact CD1-CD1 3.63Å; V1587-I1742 HydrophobicContact CG2-CG2 4.41Å; L1620-I1742 HydrophobicContact CD1-CG2 4.22Å; L1683-I1742 HydrophobicContact CD1-CD1 3.89Å; L1683-I1742 HydrophobicContact CD1-CG1 4.26Å; L1683-I1742 HydrophobicContact CD2-CD1 4.16Å; V1698-I1742 HydrophobicContact CG1-CG2 3.9Å; V1698-I1742 HydrophobicContact CG2-CD1 4.18Å; V1698-I1742 HydrophobicContact CG2-CG2 4.4Å; S1738-I1742 WeakPolarHBondContact O-CG1 3.5Å; S1738-I1742 PolarHBondContact O-N 3.19Å; S1738-I1742 VanDerWaalsContact O-N 3.14Å; H1739-I1742 PolarHBondContact O-N 3.03Å; E1740-I1742 VanDerWaalsContact C-N 3.28Å; E1740-I1742 PolarHBondContact O-N 3.43Å; I1742-R1744 PolarHBondContact O-N 3.4Å; I1742-Q1745 CarbonylContact O-C 3.54Å; I1742-Q1745 WeakPolarHBondContact O-CA 3.27Å; I1742-Q1745 WeakPolarHBondContact O-CB 3.24Å; I1742-Q1745 PolarHBondContact O-N 2.96Å; I1742-V1746 HydrophobicContact CG2-CG2 4.19Å; I1742-V1746 WeakPolarHBondContact O-CG2 3.3Å; I1742-V1746 PolarHBondContact O-N 3.49Å |
| 1743 | L | 83.6 | Confident | 73.1 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -45.3 | -179.2 | 179.2 | 60.9 | 0 | 0 | 0 | 111.6 | V1609 T1732 M1735 H1739 E1740 Q1745 V1746 T1747 | V1609-L1743 HydrophobicContact CG1-CD1 4.41Å; V1609-L1743 HydrophobicContact CG2-CD1 3.91Å; T1732-L1743 HydrophobicContact CG2-CD2 4.33Å; M1735-L1743 HydrophobicContact CE-CB 4.14Å; M1735-L1743 HydrophobicContact CE-CD2 3.93Å; M1735-L1743 HydrophobicContact SD-CD2 3.86Å; H1739-L1743 WeakPolarHBondContact O-CB 3.42Å; H1739-L1743 PolarHBondContact O-N 3.07Å; E1740-L1743 PolarHBondContact O-N 3Å; E1740-L1743 VanDerWaalsContact O-N 3.14Å; L1743-Q1745 PolarHBondContact O-N 3.42Å; L1743-V1746 PolarHBondContact O-N 3.06Å; L1743-V1746 VanDerWaalsContact O-N 3.1Å; L1743-T1747 HydrophobicContact CD1-CG2 4.25Å; L1743-T1747 PolarHBondContact O-N 3.22Å; L1743-T1747 PolarHBondContact O-OG1 3.48Å; L1743-T1747 VanDerWaalsContact O-OG1 3.11Å |
| 1744 | R | 78.3 | Confident | 72.8 | Confident | 147 Ų | 147 | 51 Ų | 51 | 56% | 0.555 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.4 | -27.3 | 173 | -69.1 | -179.2 | -175.5 | -151.3 | 5 | 112.7 | E1740 I1742 T1747 K1748 | E1740-R1744 HydrophobicContact CG-CG 4.37Å; E1740-R1744 WeakPolarHBondContact O-CB 3.46Å; E1740-R1744 WeakPolarHBondContact O-CG 3.48Å; E1740-R1744 PolarHBondContact O-N 3.48Å; E1740-R1744 IonicContact OE1-CZ 2.76Å; E1740-R1744 VanDerWaalsContact OE1-CZ 3.3Å; E1740-R1744 IonicContact OE1-NE 3.27Å; E1740-R1744 PolarHBondContact OE1-NE 3.48Å; E1740-R1744 VanDerWaalsContact OE1-NE 3.14Å; E1740-R1744 IonicContact OE1-NH2 2.68Å; E1740-R1744 PolarHBondContact OE1-NH2 3.04Å; I1742-R1744 PolarHBondContact O-N 3.4Å; R1744-T1747 WeakPolarHBondContact CA-OG1 3.4Å; R1744-T1747 PolarHBondContact O-OG1 3.36Å; R1744-K1748 WeakPolarHBondContact O-CB 3.41Å; R1744-K1748 WeakPolarHBondContact O-CD 3.39Å; R1744-K1748 WeakPolarHBondContact O-CG 3.38Å; R1744-K1748 PolarHBondContact O-N 3.13Å |
| 1745 | Q | 79.1 | Confident | 72.2 | Confident | 75 Ų | 75 | 52.4 Ų | 52.4 | 35% | 0.35 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -81.7 | -35.8 | 174.3 | -162.6 | 179.7 | 27.9 | 0 | 0 | 112.4 | K1741 I1742 L1743 R1749 | K1741-Q1745 PolarHBondContact O-N 2.95Å; I1742-Q1745 CarbonylContact O-C 3.54Å; I1742-Q1745 WeakPolarHBondContact O-CA 3.27Å; I1742-Q1745 WeakPolarHBondContact O-CB 3.24Å; I1742-Q1745 PolarHBondContact O-N 2.96Å; L1743-Q1745 PolarHBondContact O-N 3.42Å; Q1745-R1749 PolarHBondContact O-N 2.93Å |
| 1746 | V | 77.3 | Confident | 71.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66 | -48.8 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | V1587 T1589 I1678 I1742 L1743 K1748 R1749 I1750 | V1587-V1746 HydrophobicContact CG1-CG1 4.26Å; V1587-V1746 HydrophobicContact CG1-CG2 4.28Å; V1587-V1746 HydrophobicContact CG2-CG2 4.36Å; T1589-V1746 HydrophobicContact CG2-CG1 4.44Å; I1678-V1746 HydrophobicContact CD1-CB 4.09Å; I1678-V1746 HydrophobicContact CD1-CG1 3.79Å; I1678-V1746 HydrophobicContact CD1-CG2 3.52Å; I1742-V1746 HydrophobicContact CG2-CG2 4.19Å; I1742-V1746 WeakPolarHBondContact O-CG2 3.3Å; I1742-V1746 PolarHBondContact O-N 3.49Å; L1743-V1746 PolarHBondContact O-N 3.06Å; L1743-V1746 VanDerWaalsContact O-N 3.1Å; V1746-K1748 PolarHBondContact O-N 3.44Å; V1746-R1749 PolarHBondContact O-N 2.98Å; V1746-R1749 VanDerWaalsContact O-N 3.16Å; V1746-I1750 HydrophobicContact CG1-CD1 3.86Å; V1746-I1750 HydrophobicContact CG1-CG1 4.43Å; V1746-I1750 WeakPolarHBondContact O-CG1 3.25Å; V1746-I1750 PolarHBondContact O-N 3.33Å |
| 1747 | T | 75.4 | Confident | 69.8 | Low | 24 Ų | 24 | 60 Ų | 60 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 179.5 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | L1743 R1744 R1749 I1750 Q1751 | L1743-T1747 HydrophobicContact CD1-CG2 4.25Å; L1743-T1747 PolarHBondContact O-N 3.22Å; L1743-T1747 PolarHBondContact O-OG1 3.48Å; L1743-T1747 VanDerWaalsContact O-OG1 3.11Å; R1744-T1747 WeakPolarHBondContact CA-OG1 3.4Å; R1744-T1747 PolarHBondContact O-OG1 3.36Å; T1747-R1749 VanDerWaalsContact C-N 3.31Å; T1747-R1749 PolarHBondContact O-N 3.37Å; T1747-I1750 PolarHBondContact O-N 3.32Å; T1747-I1750 VanDerWaalsContact O-N 3.14Å; T1747-Q1751 WeakPolarHBondContact O-CB 3.47Å; T1747-Q1751 WeakPolarHBondContact O-CG 3.36Å; T1747-Q1751 PolarHBondContact O-N 3.2Å |
| 1748 | K | 73.9 | Confident | 68.4 | Low | 149 Ų | 149 | 61.9 Ų | 61.9 | 65% | 0.648 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.3 | -40.9 | 173.6 | -78.5 | 179.3 | 179.6 | -173.5 | 0 | 113.3 | R1744 V1746 S1752 | R1744-K1748 WeakPolarHBondContact O-CB 3.41Å; R1744-K1748 WeakPolarHBondContact O-CD 3.39Å; R1744-K1748 WeakPolarHBondContact O-CG 3.38Å; R1744-K1748 PolarHBondContact O-N 3.13Å; V1746-K1748 PolarHBondContact O-N 3.44Å; K1748-S1752 PolarHBondContact O-N 3.49Å |
| 1749 | R | 71.4 | Confident | 66.9 | Low | 115 Ų | 115 | 68.5 Ų | 68.5 | 43% | 0.434 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -72.7 | -32.1 | 177.3 | -76.2 | -168.7 | -175.5 | 174.7 | 11.1 | 113.7 | I1678 Q1745 V1746 T1747 S1752 S1753 | I1678-R1749 PolarHBondContact O-NH1 3.22Å; I1678-R1749 PolarHBondContact O-NH2 2.98Å; I1678-R1749 VanDerWaalsContact O-NH2 3.12Å; Q1745-R1749 PolarHBondContact O-N 2.93Å; V1746-R1749 PolarHBondContact O-N 2.98Å; V1746-R1749 VanDerWaalsContact O-N 3.16Å; T1747-R1749 VanDerWaalsContact C-N 3.31Å; T1747-R1749 PolarHBondContact O-N 3.37Å; R1749-S1752 WeakPolarHBondContact CA-OG 3.37Å; R1749-S1752 PolarHBondContact O-OG 3.21Å; R1749-S1752 VanDerWaalsContact O-OG 3.05Å; R1749-S1753 WeakPolarHBondContact O-CB 3.43Å; R1749-S1753 PolarHBondContact O-N 2.77Å; R1749-S1753 VanDerWaalsContact O-N 3.1Å; R1749-S1753 PolarHBondContact O-OG 3.34Å |
| 1750 | I | 68.8 | Low | 65.2 | Low | 23 Ų | 23 | 73 Ų | 73 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.1 | -47.4 | 173.9 | -65.8 | 168.8 | 0 | 0 | 0 | 109.2 | T1589 L1607 V1746 T1747 S1752 S1753 S1754 | T1589-I1750 HydrophobicContact CG2-CD1 4.23Å; L1607-I1750 HydrophobicContact CD1-CB 4.18Å; L1607-I1750 HydrophobicContact CD1-CD1 3.88Å; L1607-I1750 HydrophobicContact CD1-CG2 3.86Å; L1607-I1750 HydrophobicContact CD2-CG2 4.43Å; V1746-I1750 HydrophobicContact CG1-CD1 3.86Å; V1746-I1750 HydrophobicContact CG1-CG1 4.43Å; V1746-I1750 WeakPolarHBondContact O-CG1 3.25Å; V1746-I1750 PolarHBondContact O-N 3.33Å; T1747-I1750 PolarHBondContact O-N 3.32Å; T1747-I1750 VanDerWaalsContact O-N 3.14Å; I1750-S1752 VanDerWaalsContact C-N 3.33Å; I1750-S1752 PolarHBondContact O-N 3.49Å; I1750-S1753 PolarHBondContact O-N 3.09Å; I1750-S1753 VanDerWaalsContact O-N 3.14Å; I1750-S1753 PolarHBondContact O-OG 2.78Å; I1750-S1754 PolarHBondContact O-N 3.24Å; I1750-S1754 PolarHBondContact O-OG 2.91Å |
| 1751 | Q | 64.5 | Low | 63.7 | Low | 80 Ų | 80 | 75.2 Ų | 75.2 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.1 | -34.7 | 176 | -70.4 | 176.6 | -24.9 | 0 | 0 | 113.4 | T1747 S1754 T1755 | T1747-Q1751 WeakPolarHBondContact O-CB 3.47Å; T1747-Q1751 WeakPolarHBondContact O-CG 3.36Å; T1747-Q1751 PolarHBondContact O-N 3.2Å; Q1751-S1754 PolarHBondContact O-OG 3.11Å; Q1751-S1754 VanDerWaalsContact O-OG 3.14Å; Q1751-T1755 PolarHBondContact O-N 3.47Å; Q1751-T1755 PolarHBondContact O-OG1 2.98Å |
| 1752 | S | 61.3 | Low | 62.1 | Low | 56 Ų | 56 | 76.6 Ų | 76.6 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.7 | -39.3 | 172.9 | 71.6 | 0 | 0 | 0 | 0 | 112.3 | K1748 R1749 I1750 T1755 E1756 | K1748-S1752 PolarHBondContact O-N 3.49Å; R1749-S1752 WeakPolarHBondContact CA-OG 3.37Å; R1749-S1752 PolarHBondContact O-OG 3.21Å; R1749-S1752 VanDerWaalsContact O-OG 3.05Å; I1750-S1752 VanDerWaalsContact C-N 3.33Å; I1750-S1752 PolarHBondContact O-N 3.49Å; S1752-T1755 WeakPolarHBondContact CA-OG1 3.29Å; S1752-T1755 PolarHBondContact O-N 3.01Å; S1752-T1755 PolarHBondContact O-OG1 3.44Å; S1752-E1756 PolarHBondContact O-N 2.85Å; S1752-E1756 VanDerWaalsContact O-N 3.09Å |
| 1753 | S | 56 | Low | 60.2 | Low | 56 Ų | 56 | 82.4 Ų | 82.4 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70.1 | -32.2 | 179.3 | 69.7 | 0 | 0 | 0 | 0 | 114 | R1749 I1750 T1757 | R1749-S1753 WeakPolarHBondContact O-CB 3.43Å; R1749-S1753 PolarHBondContact O-N 2.77Å; R1749-S1753 VanDerWaalsContact O-N 3.1Å; R1749-S1753 PolarHBondContact O-OG 3.34Å; I1750-S1753 PolarHBondContact O-N 3.09Å; I1750-S1753 VanDerWaalsContact O-N 3.14Å; I1750-S1753 PolarHBondContact O-OG 2.78Å; S1753-T1757 PolarHBondContact O-N 3.37Å; S1753-T1757 PolarHBondContact O-OG1 3.13Å |
| 1754 | S | 53.1 | Low | 58.4 | Low | 25 Ų | 25 | 85.8 Ų | 85.8 | 18% | 0.175 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -73.4 | -32.8 | 173.4 | 59.7 | 0 | 0 | 0 | 0 | 112 | I1750 Q1751 T1757 L1758 | I1750-S1754 PolarHBondContact O-N 3.24Å; I1750-S1754 PolarHBondContact O-OG 2.91Å; Q1751-S1754 PolarHBondContact O-OG 3.11Å; Q1751-S1754 VanDerWaalsContact O-OG 3.14Å; S1754-T1757 WeakPolarHBondContact CA-OG1 3.46Å; S1754-T1757 PolarHBondContact O-OG1 3.19Å; S1754-L1758 WeakPolarHBondContact O-CB 3.43Å; S1754-L1758 WeakPolarHBondContact O-CD1 3.42Å; S1754-L1758 VanDerWaalsContact O-CG 3.22Å; S1754-L1758 WeakPolarHBondContact O-CG 3.46Å; S1754-L1758 PolarHBondContact O-N 3.49Å |
| 1755 | T | 49.9 | Very low | 56.8 | Low | 83 Ų | 83 | 84.7 Ų | 84.7 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -74.4 | -30.7 | 176.4 | 43.4 | 0 | 0 | 0 | 0 | 113.6 | Q1751 S1752 K1759 | Q1751-T1755 PolarHBondContact O-N 3.47Å; Q1751-T1755 PolarHBondContact O-OG1 2.98Å; S1752-T1755 WeakPolarHBondContact CA-OG1 3.29Å; S1752-T1755 PolarHBondContact O-N 3.01Å; S1752-T1755 PolarHBondContact O-OG1 3.44Å; T1755-K1759 WeakPolarHBondContact O-CG 3.33Å; T1755-K1759 PolarHBondContact O-N 3.02Å |
| 1756 | E | 47.6 | Very low | 55 | Low | 131 Ų | 131 | 88.5 Ų | 88.5 | 61% | 0.612 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -71.2 | -45.2 | 170.7 | -74.4 | 178.4 | 157.1 | 0 | 0 | 112.5 | S1752 L1758 K1759 I1760 | S1752-E1756 PolarHBondContact O-N 2.85Å; S1752-E1756 VanDerWaalsContact O-N 3.09Å; E1756-L1758 VanDerWaalsContact C-N 3.33Å; E1756-L1758 PolarHBondContact O-N 3.49Å; E1756-K1759 WeakPolarHBondContact O-CB 3.39Å; E1756-K1759 PolarHBondContact O-N 3.22Å; E1756-K1759 VanDerWaalsContact O-N 3.08Å; E1756-I1760 PolarHBondContact O-N 3.23Å |
| 1757 | T | 46.1 | Very low | 53.3 | Low | 83 Ų | 83 | 95.4 Ų | 95.4 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.8 | -34.4 | 175.3 | 44.1 | 0 | 0 | 0 | 0 | 112.3 | S1753 S1754 K1759 I1760 V1761 | S1753-T1757 PolarHBondContact O-N 3.37Å; S1753-T1757 PolarHBondContact O-OG1 3.13Å; S1754-T1757 WeakPolarHBondContact CA-OG1 3.46Å; S1754-T1757 PolarHBondContact O-OG1 3.19Å; T1757-K1759 VanDerWaalsContact C-N 3.33Å; T1757-I1760 PolarHBondContact O-N 3.22Å; T1757-V1761 WeakPolarHBondContact O-CB 3.36Å; T1757-V1761 VanDerWaalsContact O-CG2 3.28Å; T1757-V1761 WeakPolarHBondContact O-CG2 3.23Å; T1757-V1761 PolarHBondContact O-N 3.14Å |
| 1758 | L | 44.3 | Very low | 51.8 | Low | 96 Ų | 96 | 100.7 Ų | 100.7 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.8 | -20.3 | 170.6 | -76.9 | 166.2 | 0 | 0 | 0 | 114.1 | S1754 E1756 K1762 | S1754-L1758 WeakPolarHBondContact O-CB 3.43Å; S1754-L1758 WeakPolarHBondContact O-CD1 3.42Å; S1754-L1758 VanDerWaalsContact O-CG 3.22Å; S1754-L1758 WeakPolarHBondContact O-CG 3.46Å; S1754-L1758 PolarHBondContact O-N 3.49Å; E1756-L1758 VanDerWaalsContact C-N 3.33Å; E1756-L1758 PolarHBondContact O-N 3.49Å; L1758-K1762 WeakPolarHBondContact O-CB 3.49Å; L1758-K1762 WeakPolarHBondContact O-CD 3.48Å; L1758-K1762 WeakPolarHBondContact O-CG 3.06Å; L1758-K1762 PolarHBondContact O-N 3.37Å |
| 1759 | K | 46.5 | Very low | 50.4 | Low | 139 Ų | 139 | 101 Ų | 101 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73 | -50.4 | 167.5 | -85.3 | -178.1 | 173.3 | -173.2 | 0 | 110.6 | T1755 E1756 T1757 V1761 K1762 E1763 | T1755-K1759 WeakPolarHBondContact O-CG 3.33Å; T1755-K1759 PolarHBondContact O-N 3.02Å; E1756-K1759 WeakPolarHBondContact O-CB 3.39Å; E1756-K1759 PolarHBondContact O-N 3.22Å; E1756-K1759 VanDerWaalsContact O-N 3.08Å; T1757-K1759 VanDerWaalsContact C-N 3.33Å; K1759-V1761 PolarHBondContact O-N 3.41Å; K1759-K1762 CarbonylContact O-C 3.57Å; K1759-K1762 WeakPolarHBondContact O-CA 3.48Å; K1759-K1762 WeakPolarHBondContact O-CB 3.29Å; K1759-K1762 PolarHBondContact O-N 3.21Å; K1759-E1763 PolarHBondContact O-N 2.81Å |
| 1760 | I | 48.3 | Very low | 48.7 | Very low | 99 Ų | 99 | 102.2 Ų | 102.2 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 179.7 | -63 | 164.9 | 0 | 0 | 0 | 111.1 | E1756 T1757 K1762 E1763 V1764 | E1756-I1760 PolarHBondContact O-N 3.23Å; T1757-I1760 PolarHBondContact O-N 3.22Å; I1760-K1762 VanDerWaalsContact C-N 3.26Å; I1760-K1762 PolarHBondContact O-N 2.56Å; I1760-E1763 PolarHBondContact O-N 3.03Å; I1760-V1764 HydrophobicContact CG2-CG2 4.31Å; I1760-V1764 WeakPolarHBondContact O-CB 3.49Å; I1760-V1764 VanDerWaalsContact O-CG2 3.31Å; I1760-V1764 WeakPolarHBondContact O-CG2 3.48Å; I1760-V1764 PolarHBondContact O-N 3.14Å |
| 1761 | V | 49.2 | Very low | 47 | Very low | 83 Ų | 83 | 109.9 Ų | 109.9 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67 | -26.3 | 175.4 | 171.2 | 0 | 0 | 0 | 0 | 112.3 | T1757 K1759 K1765 | T1757-V1761 WeakPolarHBondContact O-CB 3.36Å; T1757-V1761 VanDerWaalsContact O-CG2 3.28Å; T1757-V1761 WeakPolarHBondContact O-CG2 3.23Å; T1757-V1761 PolarHBondContact O-N 3.14Å; K1759-V1761 PolarHBondContact O-N 3.41Å; V1761-K1765 WeakPolarHBondContact O-CB 3.39Å; V1761-K1765 WeakPolarHBondContact O-CG 3.26Å; V1761-K1765 PolarHBondContact O-N 2.96Å; V1761-K1765 VanDerWaalsContact O-N 3.17Å |
| 1762 | K | 46.2 | Very low | 46.1 | Very low | 136 Ų | 136 | 111.4 Ų | 111.4 | 59% | 0.591 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -74.7 | -45.4 | 169.7 | -80 | 176 | 177.6 | -173.6 | 0 | 111.8 | L1758 K1759 I1760 V1764 K1765 F1766 | L1758-K1762 WeakPolarHBondContact O-CB 3.49Å; L1758-K1762 WeakPolarHBondContact O-CD 3.48Å; L1758-K1762 WeakPolarHBondContact O-CG 3.06Å; L1758-K1762 PolarHBondContact O-N 3.37Å; K1759-K1762 CarbonylContact O-C 3.57Å; K1759-K1762 WeakPolarHBondContact O-CA 3.48Å; K1759-K1762 WeakPolarHBondContact O-CB 3.29Å; K1759-K1762 PolarHBondContact O-N 3.21Å; I1760-K1762 VanDerWaalsContact C-N 3.26Å; I1760-K1762 PolarHBondContact O-N 2.56Å; K1762-V1764 VanDerWaalsContact C-N 3.31Å; K1762-V1764 PolarHBondContact O-N 3.32Å; K1762-K1765 PolarHBondContact O-N 2.91Å; K1762-F1766 WeakPolarHBondContact O-CB 3.49Å; K1762-F1766 WeakPolarHBondContact O-CD2 3.05Å; K1762-F1766 PolarHBondContact O-N 2.86Å |
| 1763 | E | 44.3 | Very low | 45.3 | Very low | 126 Ų | 126 | 114.3 Ų | 114.3 | 59% | 0.589 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.5 | -35.4 | 178.3 | -73.1 | 167.8 | 177.7 | 0 | 0 | 112.1 | K1759 I1760 H1767 | K1759-E1763 PolarHBondContact O-N 2.81Å; I1760-E1763 PolarHBondContact O-N 3.03Å; E1763-H1767 PolarHBondContact O-N 3.07Å |
| 1764 | V | 45.3 | Very low | 44.7 | Very low | 75 Ų | 75 | 117.6 Ų | 117.6 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.8 | -41.9 | 172.8 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | I1760 K1762 F1766 H1767 E1768 | I1760-V1764 HydrophobicContact CG2-CG2 4.31Å; I1760-V1764 WeakPolarHBondContact O-CB 3.49Å; I1760-V1764 VanDerWaalsContact O-CG2 3.31Å; I1760-V1764 WeakPolarHBondContact O-CG2 3.48Å; I1760-V1764 PolarHBondContact O-N 3.14Å; K1762-V1764 VanDerWaalsContact C-N 3.31Å; K1762-V1764 PolarHBondContact O-N 3.32Å; V1764-F1766 VanDerWaalsContact C-N 3.34Å; V1764-F1766 PolarHBondContact O-N 2.04Å; V1764-H1767 PolarHBondContact O-N 3.25Å; V1764-E1768 PolarHBondContact O-N 3.36Å; V1764-E1768 VanDerWaalsContact O-N 3.09Å |
| 1765 | K | 44.1 | Very low | 44.3 | Very low | 123 Ų | 123 | 123 Ų | 123 | 54% | 0.535 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67 | -33.3 | 174.6 | -79.8 | -165.5 | 167.1 | -148.2 | 0 | 113.7 | V1761 K1762 H1767 E1768 E1769 | V1761-K1765 WeakPolarHBondContact O-CB 3.39Å; V1761-K1765 WeakPolarHBondContact O-CG 3.26Å; V1761-K1765 PolarHBondContact O-N 2.96Å; V1761-K1765 VanDerWaalsContact O-N 3.17Å; K1762-K1765 PolarHBondContact O-N 2.91Å; K1765-H1767 PolarHBondContact O-N 3.22Å; K1765-E1768 PolarHBondContact O-N 3.47Å; K1765-E1769 PolarHBondContact O-N 2.76Å; K1765-E1769 VanDerWaalsContact O-N 3.14Å |
| 1766 | F | 42 | Very low | 43.9 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 68% | 0.68 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.6 | -12.7 | 170.2 | -97.4 | -83 | 0 | 0 | 0 | 113.3 | K1762 V1764 | K1762-F1766 WeakPolarHBondContact O-CB 3.49Å; K1762-F1766 WeakPolarHBondContact O-CD2 3.05Å; K1762-F1766 PolarHBondContact O-N 2.86Å; V1764-F1766 VanDerWaalsContact C-N 3.34Å; V1764-F1766 PolarHBondContact O-N 2.04Å |
| 1767 | H | 41.5 | Very low | 43.7 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 68% | 0.681 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -102.6 | -16.5 | 172.1 | -93.5 | -55.7 | 0 | 0 | 0 | 114.4 | E1763 V1764 K1765 | E1763-H1767 PolarHBondContact O-N 3.07Å; V1764-H1767 PolarHBondContact O-N 3.25Å; K1765-H1767 PolarHBondContact O-N 3.22Å |
| 1768 | E | 44.4 | Very low | 43.5 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 63% | 0.631 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -89 | -16 | 172.4 | -73.1 | -176.1 | 150.6 | 0 | 0 | 113.2 | V1764 K1765 | V1764-E1768 PolarHBondContact O-N 3.36Å; V1764-E1768 VanDerWaalsContact O-N 3.09Å; K1765-E1768 PolarHBondContact O-N 3.47Å |
| 1769 | E | 44.5 | Very low | 43.4 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 73% | 0.729 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 1.2 | 174.1 | -69.8 | 179.8 | 174.2 | 0 | 0 | 113.5 | K1765 | K1765-E1769 PolarHBondContact O-N 2.76Å; K1765-E1769 VanDerWaalsContact O-N 3.14Å |
| 1770 | D | 35.9 | Very low | 43.2 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 14.1 | 172.1 | -95 | -16.6 | 0 | 0 | 0 | 112.7 | ||
| 1771 | V | 32.4 | Very low | 42.7 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 100% | 1.121 | 66% | 0.66 | S | S | * | * | trans | -129.5 | 0 | 173.9 | -180 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 1,771 of 1,771 residues in 4306 ms
(Link to these results)