| 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 | 25.7 | Very low | 48.8 | Very low | 252 Ų | 252 | 117.3 Ų | 117.3 | 100% | 1.241 | 66% | 0.659 | S | S | * | * | 0 | 99 | 0 | -68.2 | -177.5 | -170.3 | 0 | 0 | 107 | |||||
| 2 | S | 23.6 | Very low | 52.4 | Low | 114 Ų | 114 | 111.5 Ų | 111.5 | 80% | 0.797 | 64% | 0.637 | S | S | * | * | trans | -84.1 | 135.2 | 172.5 | 37.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | N | 20.4 | Very low | 55.6 | Low | 154 Ų | 154 | 103.8 Ų | 103.8 | 82% | 0.824 | 60% | 0.595 | S | S | * | * | trans | -52.9 | 132.9 | 168.6 | -94.8 | -16.4 | 0 | 0 | 0 | 109 | T5 | N3-T5 PolarHBondContact O-N 2.87Š| ||
| 4 | P | 27.1 | Very low | 58.5 | Low | 120 Ų | 120 | 96.7 Ų | 96.7 | 78% | 0.779 | 55% | 0.554 | S | S | * | * | trans | -71.7 | 100.4 | 166.7 | 29.1 | -27.5 | 0 | 0 | 0 | 106.7 | S6 | P4-S6 PolarHBondContact O-N 3.44Š| ||
| 5 | T | 31.3 | Very low | 60.9 | Low | 127 Ų | 127 | 96.1 Ų | 96.1 | 78% | 0.779 | 55% | 0.548 | S | S | * | . | trans | -48.2 | 122.9 | 149.4 | 23.5 | 0 | 0 | 0 | 0 | 106 | N3 Q7 | N3-T5 PolarHBondContact O-N 2.87Å; T5-Q7 PolarHBondContact O-N 3.45Å | ||
| 6 | S | 36.5 | Very low | 63 | Low | 105 Ų | 105 | 93.1 Ų | 93.1 | 73% | 0.734 | 53% | 0.534 | S | S | * | . | trans | -46.8 | 115.8 | -178.9 | 54.6 | 0 | 0 | 0 | 0 | 108.9 | P4 V8 | P4-S6 PolarHBondContact O-N 3.44Å; S6-V8 PolarHBondContact O-N 2.96Å | ||
| 7 | Q | 47.5 | Very low | 64.9 | Low | 184 Ų | 184 | 87.6 Ų | 87.6 | 86% | 0.86 | 50% | 0.503 | S | S | * | . | trans | -51.7 | 115.6 | 176.1 | -106.5 | 176.8 | -21.7 | 0 | 0 | 108.3 | T5 N9 | T5-Q7 PolarHBondContact O-N 3.45Å; Q7-N9 PolarHBondContact O-N 2.72Å; Q7-N9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | V | 61.6 | Low | 66.7 | Low | 54 Ų | 54 | 83.3 Ų | 83.3 | 33% | 0.327 | 48% | 0.478 | S | S | . | . | trans | -63.4 | 115.8 | 176 | 174.5 | 0 | 0 | 0 | 0 | 107.4 | S6 H10 L59 | S6-V8 PolarHBondContact O-N 2.96Å; V8-H10 VanDerWaalsContact CG1-CD2 3.47Å; V8-H10 WeakPolarHBondContact CG1-CD2 3.38Å; V8-H10 VanDerWaalsContact CG1-NE2 3.31Å; V8-H10 WeakPolarHBondContact CG1-NE2 3.31Å; V8-L59 HydrophobicContact CB-CD1 4.1Å; V8-L59 HydrophobicContact CG1-CD1 3.36Å; V8-L59 HydrophobicContact CG2-CD1 3.54Å | ||
| 9 | N | 82.4 | Confident | 68.2 | Low | 100 Ų | 100 | 86.9 Ų | 86.9 | 54% | 0.535 | 49% | 0.487 | S | S | . | . | trans | -99.6 | 86.8 | 178.9 | -171.6 | -21 | 0 | 0 | 0 | 109.7 | Q7 Q11 A12 A13 | Q7-N9 PolarHBondContact O-N 2.72Å; Q7-N9 VanDerWaalsContact O-N 3.12Å; N9-Q11 PolarHBondContact O-N 3.39Å; N9-Q11 WeakPolarHBondContact OD1-CB 3.26Å; N9-Q11 PolarHBondContact OD1-N 3.48Å; N9-A12 HydrophobicContact CB-CB 3.93Å; N9-A12 PolarHBondContact O-N 3.02Å; N9-A12 VanDerWaalsContact O-N 3.11Å; N9-A12 PolarHBondContact OD1-N 3.26Å; N9-A13 PolarHBondContact O-N 3.11Å | ||
| 10 | H | 90.7 | Very high | 69.4 | Low | 14 Ų | 14 | 86.3 Ų | 86.3 | 7% | 0.065 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -55.4 | -36 | 178 | -61.2 | 135.9 | 0 | 0 | 0 | 112.2 | V8 A13 Y14 D40 H41 F43 I208 D464 | V8-H10 VanDerWaalsContact CG1-CD2 3.47Å; V8-H10 WeakPolarHBondContact CG1-CD2 3.38Å; V8-H10 VanDerWaalsContact CG1-NE2 3.31Å; V8-H10 WeakPolarHBondContact CG1-NE2 3.31Å; H10-A13 PolarHBondContact O-N 3.26Å; H10-Y14 WeakPolarHBondContact O-CB 3.43Å; H10-Y14 PolarHBondContact O-N 3.3Å; H10-D40 PolarHBondContact CE1-O 2.97Å; H10-H41 AromaticContact NE2-ND1 3.81Å; H10-F43 HydrophobicContact CB-CD1 4.08Å; H10-F43 HydrophobicContact CB-CE1 4.47Å; H10-F43 HydrophobicContact CB-CG 4.26Å; H10-F43 AromaticContact CD2-CD1 3.59Å; H10-F43 AromaticContact CD2-CE1 3.86Å; H10-F43 AromaticContact CG-CD1 3.96Å; H10-I208 HydrophobicContact CB-CD1 3.73Å; H10-D464 PolarHBondContact CE1-O 3.16Å; H10-D464 PolarHBondContact ND1-O 2.64Å |
| 11 | Q | 90.6 | Very high | 70.7 | Confident | 66 Ų | 66 | 83.2 Ų | 83.2 | 31% | 0.308 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 179.3 | -176.7 | 56.1 | 57.8 | 0 | 0 | 112 | N9 L15 P206 | N9-Q11 PolarHBondContact O-N 3.39Å; N9-Q11 WeakPolarHBondContact OD1-CB 3.26Å; N9-Q11 PolarHBondContact OD1-N 3.48Å; Q11-L15 VanDerWaalsContact O-CG 3.3Å; Q11-L15 WeakPolarHBondContact O-CG 3.36Å; Q11-L15 PolarHBondContact O-N 3.38Å; Q11-P206 PolarHBondContact NE2-O 2.9Å |
| 12 | A | 92 | Very high | 73.9 | Confident | 48 Ų | 48 | 79.9 Ų | 79.9 | 40% | 0.397 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | N9 L15 S16 | N9-A12 HydrophobicContact CB-CB 3.93Å; N9-A12 PolarHBondContact O-N 3.02Å; N9-A12 VanDerWaalsContact O-N 3.11Å; N9-A12 PolarHBondContact OD1-N 3.26Å; A12-L15 PolarHBondContact O-N 3.39Å; A12-S16 PolarHBondContact O-N 3.07Å |
| 13 | A | 94.1 | Very high | 77.3 | Confident | 11 Ų | 11 | 80.2 Ų | 80.2 | 9% | 0.091 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N9 H10 L15 S16 L17 F43 W87 | N9-A13 PolarHBondContact O-N 3.11Å; H10-A13 PolarHBondContact O-N 3.26Å; A13-L15 PolarHBondContact O-N 3.39Å; A13-S16 WeakPolarHBondContact O-CB 3.45Å; A13-S16 PolarHBondContact O-N 2.78Å; A13-S16 VanDerWaalsContact O-N 3.17Å; A13-L17 WeakPolarHBondContact O-CG 3.34Å; A13-L17 PolarHBondContact O-N 3.25Å; A13-F43 HydrophobicContact CB-CE1 4.28Å; A13-F43 HydrophobicContact CB-CE2 4.42Å; A13-F43 HydrophobicContact CB-CZ 3.66Å; A13-W87 HydrophobicContact CB-CZ2 3.89Å |
| 14 | Y | 95.3 | Very high | 80.8 | Confident | 5 Ų | 5 | 73 Ų | 73 | 2% | 0.02 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56.3 | -49.8 | 174.1 | 177.1 | -94.4 | 0 | 0 | 0 | 111.7 | H10 S16 L17 M18 L45 Y205 Q207 I208 | H10-Y14 WeakPolarHBondContact O-CB 3.43Å; H10-Y14 PolarHBondContact O-N 3.3Å; Y14-S16 VanDerWaalsContact C-N 3.27Å; Y14-S16 PolarHBondContact O-N 3.41Å; Y14-L17 PolarHBondContact O-N 2.94Å; Y14-M18 HydrophobicContact CD1-CG 4.35Å; Y14-M18 HydrophobicContact CD2-CG 3.98Å; Y14-M18 HydrophobicContact CE1-CB 4.45Å; Y14-M18 HydrophobicContact CE1-CG 4.02Å; Y14-M18 HydrophobicContact CE2-CG 3.63Å; Y14-M18 HydrophobicContact CE2-SD 4.5Å; Y14-M18 HydrophobicContact CG-CG 4.32Å; Y14-M18 WeakPolarHBondContact O-CB 3.26Å; Y14-M18 VanDerWaalsContact O-CG 3.29Å; Y14-M18 WeakPolarHBondContact O-CG 3.27Å; Y14-M18 PolarHBondContact O-N 2.75Å; Y14-L45 HydrophobicContact CD2-CD2 4.1Å; Y14-Y205 VanDerWaalsContact CE1-O 3.25Å; Y14-Y205 WeakPolarHBondContact CE1-O 3.44Å; Y14-Y205 PolarHBondContact OH-O 3.12Å; Y14-Q207 WeakPolarHBondContact CE1-O 3.44Å; Y14-I208 HydrophobicContact CD1-CG1 4.29Å; Y14-I208 HydrophobicContact CD2-CG1 3.96Å; Y14-I208 HydrophobicContact CG-CG1 3.71Å |
| 15 | L | 94.8 | Very high | 84 | Confident | 88 Ų | 88 | 70.7 Ų | 70.7 | 46% | 0.461 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.8 | -35.5 | 177.3 | -74.2 | 169.3 | 0 | 0 | 0 | 112.8 | Q11 A12 A13 K19 P206 | Q11-L15 VanDerWaalsContact O-CG 3.3Å; Q11-L15 WeakPolarHBondContact O-CG 3.36Å; Q11-L15 PolarHBondContact O-N 3.38Å; A12-L15 PolarHBondContact O-N 3.39Å; A13-L15 PolarHBondContact O-N 3.39Å; L15-K19 PolarHBondContact O-N 3.49Å; L15-P206 WeakPolarHBondContact CD2-O 3.5Å |
| 16 | S | 94.5 | Very high | 86.9 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 175.4 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | A12 A13 Y14 K19 | A12-S16 PolarHBondContact O-N 3.07Å; A13-S16 WeakPolarHBondContact O-CB 3.45Å; A13-S16 PolarHBondContact O-N 2.78Å; A13-S16 VanDerWaalsContact O-N 3.17Å; Y14-S16 VanDerWaalsContact C-N 3.27Å; Y14-S16 PolarHBondContact O-N 3.41Å; S16-K19 WeakPolarHBondContact O-CB 3.49Å |
| 17 | L | 95.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.4 | -39.1 | -179.5 | -71 | 165.9 | 0 | 0 | 0 | 111.6 | A13 Y14 K19 F43 L45 A57 V66 L80 N83 A84 W87 | A13-L17 WeakPolarHBondContact O-CG 3.34Å; A13-L17 PolarHBondContact O-N 3.25Å; Y14-L17 PolarHBondContact O-N 2.94Å; L17-K19 VanDerWaalsContact C-N 3.33Å; L17-K19 PolarHBondContact O-N 2.82Å; L17-F43 HydrophobicContact CD1-CE2 4.22Å; L17-F43 HydrophobicContact CD1-CZ 4.12Å; L17-L45 HydrophobicContact CB-CD2 4.16Å; L17-L45 HydrophobicContact CD1-CD1 4.12Å; L17-L45 HydrophobicContact CD1-CD2 3.54Å; L17-L45 HydrophobicContact CD1-CG 4.46Å; L17-L45 HydrophobicContact CG-CD2 4.47Å; L17-A57 HydrophobicContact CD1-CB 3.73Å; L17-V66 HydrophobicContact CD2-CG2 4.04Å; L17-L80 WeakPolarHBondContact O-CD1 3.07Å; L17-N83 WeakPolarHBondContact O-CB 3.35Å; L17-N83 PolarHBondContact O-ND2 2.94Å; L17-A84 HydrophobicContact CD2-CB 4.08Å; L17-W87 HydrophobicContact CD1-CD2 4.13Å; L17-W87 HydrophobicContact CD1-CE3 4.07Å; L17-W87 HydrophobicContact CD1-CZ3 4.38Å; L17-W87 HydrophobicContact CD2-CB 3.75Å; L17-W87 HydrophobicContact CD2-CD2 4.1Å; L17-W87 HydrophobicContact CD2-CE3 3.97Å; L17-W87 HydrophobicContact CD2-CG 4.04Å; L17-W87 HydrophobicContact CG-CB 4.31Å; L17-W87 HydrophobicContact CG-CD2 4.24Å; L17-W87 HydrophobicContact CG-CE3 4.4Å; L17-W87 HydrophobicContact CG-CG 4.2Å |
| 18 | M | 96.6 | Very high | 91 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.049 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 4.5 | -176.3 | -60.3 | -48.5 | -66.7 | 0 | 0 | 114 | Y14 G20 V21 L24 L45 L80 V204 | Y14-M18 HydrophobicContact CD1-CG 4.35Å; Y14-M18 HydrophobicContact CD2-CG 3.98Å; Y14-M18 HydrophobicContact CE1-CB 4.45Å; Y14-M18 HydrophobicContact CE1-CG 4.02Å; Y14-M18 HydrophobicContact CE2-CG 3.63Å; Y14-M18 HydrophobicContact CE2-SD 4.5Å; Y14-M18 HydrophobicContact CG-CG 4.32Å; Y14-M18 WeakPolarHBondContact O-CB 3.26Å; Y14-M18 VanDerWaalsContact O-CG 3.29Å; Y14-M18 WeakPolarHBondContact O-CG 3.27Å; Y14-M18 PolarHBondContact O-N 2.75Å; M18-G20 PolarHBondContact O-N 2.77Å; M18-G20 VanDerWaalsContact O-N 3.17Å; M18-V21 HydrophobicContact CE-CB 4.29Å; M18-V21 HydrophobicContact CE-CG1 4.21Å; M18-V21 PolarHBondContact O-N 2.82Å; M18-L24 HydrophobicContact CE-CD1 3.78Å; M18-L24 HydrophobicContact CE-CG 4.49Å; M18-L45 HydrophobicContact SD-CB 4.29Å; M18-L80 HydrophobicContact SD-CD1 3.73Å; M18-V204 HydrophobicContact CB-CG1 3.82Å; M18-V204 HydrophobicContact CE-CB 4.06Å; M18-V204 HydrophobicContact CE-CG1 3.49Å; M18-V204 VanDerWaalsContact CE-CG1 3.49Å; M18-V204 HydrophobicContact CE-CG2 3.33Å; M18-V204 HydrophobicContact CG-CG1 4.21Å |
| 19 | K | 95 | Very high | 92.1 | Very high | 152 Ų | 152 | 63.5 Ų | 63.5 | 66% | 0.661 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 120.4 | -174.9 | -175 | -178.8 | 176.8 | -175.2 | 0 | 111.9 | L15 S16 L17 V21 N83 | L15-K19 PolarHBondContact O-N 3.49Å; S16-K19 WeakPolarHBondContact O-CB 3.49Å; L17-K19 VanDerWaalsContact C-N 3.33Å; L17-K19 PolarHBondContact O-N 2.82Å; K19-V21 PolarHBondContact O-N 2.93Å; K19-N83 PolarHBondContact N-ND2 3.08Å; K19-N83 PolarHBondContact O-ND2 3.17Å |
| 20 | G | 93.4 | Very high | 92.5 | Very high | 75 Ų | 75 | 60.1 Ų | 60.1 | 77% | 0.773 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -3.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | M18 | M18-G20 PolarHBondContact O-N 2.77Å; M18-G20 VanDerWaalsContact O-N 3.17Å |
| 21 | V | 94.9 | Very high | 92.6 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 13% | 0.127 | 34% | 0.344 | C | S | . | . | trans | -85.8 | 124.1 | 172.8 | -171.7 | 0 | 0 | 0 | 0 | 108.2 | M18 K19 L24 A79 L80 V204 | M18-V21 HydrophobicContact CE-CB 4.29Å; M18-V21 HydrophobicContact CE-CG1 4.21Å; M18-V21 PolarHBondContact O-N 2.82Å; K19-V21 PolarHBondContact O-N 2.93Å; V21-L24 HydrophobicContact CG1-CD2 3.81Å; V21-L24 HydrophobicContact CG1-CG 4.04Å; V21-A79 HydrophobicContact CG2-CB 4.41Å; V21-L80 HydrophobicContact CG2-CB 4.38Å; V21-V204 HydrophobicContact CB-CG2 4.37Å; V21-V204 HydrophobicContact CG1-CG2 3.87Å; V21-V204 WeakPolarHBondContact O-CB 3.24Å | ||
| 22 | K | 93.3 | Very high | 92.8 | Very high | 182 Ų | 182 | 58.4 Ų | 58.4 | 79% | 0.791 | 33% | 0.329 | S | S | * | . | trans | -100.9 | -37.4 | -179.4 | -67.2 | -175.4 | 179.4 | 179.4 | 0 | 112.9 | V204 | K22-V204 PolarHBondContact O-N 2.98Š| ||
| 23 | E | 94.8 | Very high | 92.9 | Very high | 121 Ų | 121 | 56.1 Ų | 56.1 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 157.6 | 179.1 | 65.9 | -176.8 | 167.4 | 0 | 0 | 109.4 | N201 L202 | E23-N201 PolarHBondContact OE2-ND2 2.97Å; E23-L202 CarbonylContact C-O 3.52Å; E23-L202 VanDerWaalsContact CA-O 3.26Å; E23-L202 WeakPolarHBondContact CA-O 3.45Å |
| 24 | L | 94.4 | Very high | 93 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 107.5 | 176 | -68.9 | 165.9 | 0 | 0 | 0 | 107.7 | M18 V21 F26 A46 M55 F77 L80 N201 L202 V204 | M18-L24 HydrophobicContact CE-CD1 3.78Å; M18-L24 HydrophobicContact CE-CG 4.49Å; V21-L24 HydrophobicContact CG1-CD2 3.81Å; V21-L24 HydrophobicContact CG1-CG 4.04Å; L24-F26 HydrophobicContact CB-CD2 4.27Å; L24-F26 HydrophobicContact CB-CE2 3.43Å; L24-F26 VanDerWaalsContact CB-CE2 3.43Å; L24-F26 HydrophobicContact CB-CZ 3.77Å; L24-F26 HydrophobicContact CD1-CE2 4.31Å; L24-F26 HydrophobicContact CD1-CZ 4.15Å; L24-F26 HydrophobicContact CG-CE2 4.5Å; L24-F26 HydrophobicContact CG-CZ 4.49Å; L24-F26 VanDerWaalsContact O-CD2 3.28Å; L24-F26 WeakPolarHBondContact O-CD2 3.47Å; L24-F26 WeakPolarHBondContact O-CE2 3.37Å; L24-A46 HydrophobicContact CD1-CB 3.87Å; L24-M55 HydrophobicContact CD1-CE 3.37Å; L24-M55 HydrophobicContact CD2-CE 4.09Å; L24-M55 HydrophobicContact CG-CE 4.31Å; L24-F77 HydrophobicContact CB-CE1 4.35Å; L24-F77 HydrophobicContact CB-CZ 4.41Å; L24-F77 HydrophobicContact CD2-CB 4.34Å; L24-F77 HydrophobicContact CD2-CD1 3.67Å; L24-F77 HydrophobicContact CD2-CD2 4.12Å; L24-F77 HydrophobicContact CD2-CE1 3.95Å; L24-F77 HydrophobicContact CD2-CE2 4.37Å; L24-F77 HydrophobicContact CD2-CG 3.77Å; L24-F77 HydrophobicContact CD2-CZ 4.29Å; L24-L80 HydrophobicContact CD2-CD2 4.34Å; L24-N201 PolarHBondContact O-OD1 3.35Å; L24-L202 PolarHBondContact N-O 3.21Å; L24-L202 PolarHBondContact O-N 3.16Å; L24-V204 HydrophobicContact CD1-CG2 4.25Å; L24-V204 HydrophobicContact CG-CG2 4.21Å |
| 25 | D | 93.8 | Very high | 93 | Very high | 70 Ų | 70 | 57 Ų | 57 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 108.6 | -178.5 | -165.3 | -6.8 | 0 | 0 | 0 | 111 | R27 N201 | D25-R27 WeakPolarHBondContact OD1-CB 3.26Å; D25-R27 WeakPolarHBondContact OD1-CG 3.44Å; D25-R27 IonicContact OD1-CZ 3.59Å; D25-R27 PolarHBondContact OD1-N 3.17Å; D25-R27 VanDerWaalsContact OD1-N 3.08Å; D25-R27 IonicContact OD1-NE 2.82Å; D25-R27 PolarHBondContact OD1-NE 3.28Å; D25-R27 IonicContact OD1-NH2 3.49Å; D25-R27 PolarHBondContact OD1-NH2 2.82Å; D25-R27 IonicContact OD2-CZ 3.55Å; D25-R27 IonicContact OD2-NE 3.51Å; D25-R27 IonicContact OD2-NH2 2.75Å; D25-R27 PolarHBondContact OD2-NH2 3.21Å; D25-N201 WeakPolarHBondContact CA-OD1 3.39Å |
| 26 | F | 92.4 | Very high | 93 | Very high | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | trans | -96.5 | 2.9 | 178.6 | -58.8 | -82.5 | 0 | 0 | 0 | 113.6 | L24 G28 A46 L54 M55 Y73 F77 E199 E200 L202 | L24-F26 HydrophobicContact CB-CD2 4.27Å; L24-F26 HydrophobicContact CB-CE2 3.43Å; L24-F26 VanDerWaalsContact CB-CE2 3.43Å; L24-F26 HydrophobicContact CB-CZ 3.77Å; L24-F26 HydrophobicContact CD1-CE2 4.31Å; L24-F26 HydrophobicContact CD1-CZ 4.15Å; L24-F26 HydrophobicContact CG-CE2 4.5Å; L24-F26 HydrophobicContact CG-CZ 4.49Å; L24-F26 VanDerWaalsContact O-CD2 3.28Å; L24-F26 WeakPolarHBondContact O-CD2 3.47Å; L24-F26 WeakPolarHBondContact O-CE2 3.37Å; F26-G28 PolarHBondContact O-N 3.47Å; F26-A46 HydrophobicContact CE2-CB 4.25Å; F26-A46 HydrophobicContact CZ-CB 3.98Å; F26-L54 HydrophobicContact CB-CD2 4.06Å; F26-L54 HydrophobicContact CD1-CD2 3.56Å; F26-L54 HydrophobicContact CD2-CD2 3.68Å; F26-L54 HydrophobicContact CE1-CB 4.1Å; F26-L54 HydrophobicContact CE1-CD2 3.79Å; F26-L54 HydrophobicContact CE2-CD2 3.95Å; F26-L54 HydrophobicContact CG-CD2 3.47Å; F26-L54 VanDerWaalsContact CG-CD2 3.47Å; F26-L54 HydrophobicContact CZ-CB 4.16Å; F26-L54 HydrophobicContact CZ-CD2 3.98Å; F26-M55 HydrophobicContact CE1-CE 4.31Å; F26-M55 HydrophobicContact CE1-SD 4.34Å; F26-M55 HydrophobicContact CZ-CE 3.75Å; F26-M55 HydrophobicContact CZ-SD 4.36Å; F26-Y73 HydrophobicContact CD1-CD2 4.41Å; F26-Y73 HydrophobicContact CD1-CE1 4.01Å; F26-Y73 AromaticContact CD1-CE2 3.63Å; F26-Y73 HydrophobicContact CD1-CE2 3.63Å; F26-Y73 AromaticContact CD1-CZ 3.45Å; F26-Y73 VanDerWaalsContact CD1-CZ 3.45Å; F26-Y73 WeakPolarHBondContact CD1-OH 3.45Å; F26-Y73 HydrophobicContact CE1-CD2 4.04Å; F26-Y73 AromaticContact CE1-CE2 3.6Å; F26-Y73 HydrophobicContact CE1-CE2 3.6Å; F26-Y73 AromaticContact CE1-CZ 3.92Å; F26-F77 HydrophobicContact CD1-CE2 4.07Å; F26-F77 AromaticContact CD1-CZ 3.96Å; F26-F77 HydrophobicContact CD1-CZ 3.96Å; F26-F77 AromaticContact CE1-CE2 3.56Å; F26-F77 HydrophobicContact CE1-CE2 3.56Å; F26-F77 AromaticContact CE1-CZ 3.8Å; F26-F77 HydrophobicContact CE1-CZ 3.8Å; F26-F77 HydrophobicContact CZ-CE2 4.13Å; F26-F77 HydrophobicContact CZ-CZ 4.22Å; F26-E199 WeakPolarHBondContact O-CG 3.47Å; F26-E200 VanDerWaalsContact CB-O 3.29Å; F26-E200 WeakPolarHBondContact CB-O 3.45Å; F26-E200 WeakPolarHBondContact CD2-O 3.31Å; F26-E200 PolarHBondContact N-O 2.98Å; F26-E200 VanDerWaalsContact N-O 3.08Å; F26-L202 HydrophobicContact CD2-CD1 3.97Å; F26-L202 HydrophobicContact CD2-CG 4Å; F26-L202 HydrophobicContact CE2-CB 4.22Å; F26-L202 HydrophobicContact CE2-CD1 3.64Å; F26-L202 HydrophobicContact CE2-CG 3.98Å | ||
| 27 | R | 88.8 | Confident | 92.9 | Very high | 151 Ų | 151 | 52.5 Ų | 52.5 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | trans | -76.2 | 24.5 | -177.8 | -58.1 | 170.8 | -65.5 | 179.2 | 1.1 | 114.1 | D25 | D25-R27 WeakPolarHBondContact OD1-CB 3.26Å; D25-R27 WeakPolarHBondContact OD1-CG 3.44Å; D25-R27 IonicContact OD1-CZ 3.59Å; D25-R27 PolarHBondContact OD1-N 3.17Å; D25-R27 VanDerWaalsContact OD1-N 3.08Å; D25-R27 IonicContact OD1-NE 2.82Å; D25-R27 PolarHBondContact OD1-NE 3.28Å; D25-R27 IonicContact OD1-NH2 3.49Å; D25-R27 PolarHBondContact OD1-NH2 2.82Å; D25-R27 IonicContact OD2-CZ 3.55Å; D25-R27 IonicContact OD2-NE 3.51Å; D25-R27 IonicContact OD2-NH2 2.75Å; D25-R27 PolarHBondContact OD2-NH2 3.21Å | ||
| 28 | G | 82.1 | Confident | 92.6 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -92.1 | -176.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | F26 C30 | F26-G28 PolarHBondContact O-N 3.47Å; G28-C30 PolarHBondContact O-N 3.45Å |
| 29 | P | 85 | Confident | 91.9 | Very high | 135 Ų | 135 | 52.7 Ų | 52.7 | 88% | 0.877 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -70.1 | 0.3 | 179.5 | 31.7 | -37.3 | 0 | 0 | 0 | 114.2 | ||
| 30 | C | 90.1 | Very high | 91.4 | Very high | 29 Ų | 29 | 47.2 Ų | 47.2 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | -101.8 | 99.6 | -172.7 | -66.5 | 0 | 0 | 0 | 0 | 110.1 | G28 P32 H70 Y73 | G28-C30 PolarHBondContact O-N 3.45Å; C30-P32 WeakPolarHBondContact O-CD 3.28Å; C30-H70 HydrophobicContact CB-CB 4.44Å; C30-H70 WeakPolarHBondContact CB-ND1 3.46Å; C30-H70 VanDerWaalsContact SG-CE1 3.53Å; C30-Y73 HydrophobicContact CB-CD1 4.38Å; C30-Y73 HydrophobicContact CB-CE1 3.71Å; C30-Y73 PolarHBondContact O-OH 2.93Å | ||
| 31 | V | 93.3 | Very high | 91.3 | Very high | 43 Ų | 43 | 47 Ų | 47 | 26% | 0.261 | 25% | 0.246 | S | C | . | . | trans | -84.7 | 111.5 | 178.1 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | H70 W164 P196 | V31-H70 PolarHBondContact O-CD2 2.79Å; V31-H70 VanDerWaalsContact O-CD2 3.3Å; V31-W164 HydrophobicContact CB-CZ2 3.89Å; V31-W164 HydrophobicContact CG1-CZ2 4.11Å; V31-W164 PolarHBondContact O-NE1 3.32Å; V31-P196 HydrophobicContact CG1-CB 3.73Å | ||
| 32 | P | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -83.4 | 158.2 | -174.2 | 34 | -31.7 | 0 | 0 | 0 | 112.7 | C30 L54 G69 H70 Y73 P196 A197 | C30-P32 WeakPolarHBondContact O-CD 3.28Å; P32-L54 HydrophobicContact CG-CD2 3.92Å; P32-L54 HydrophobicContact CG-CG 4.17Å; P32-G69 CarbonylContact C-O 3.52Å; P32-G69 WeakPolarHBondContact CA-O 3.32Å; P32-G69 WeakPolarHBondContact CB-O 3.43Å; P32-H70 HydrophobicContact CB-CB 4.21Å; P32-Y73 HydrophobicContact CB-CE2 3.65Å; P32-Y73 WeakPolarHBondContact CB-OH 3.07Å; P32-Y73 WeakPolarHBondContact CD-OH 3.38Å; P32-Y73 HydrophobicContact CG-CE2 4.13Å; P32-Y73 WeakPolarHBondContact CG-OH 3.32Å; P32-P196 CarbonylContact O-C 3.52Å; P32-P196 WeakPolarHBondContact O-CA 3.42Å; P32-A197 HydrophobicContact CG-CB 4.1Å; P32-A197 PolarHBondContact O-N 3.48Å |
| 33 | S | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 140 | 161.5 | -91.2 | 0 | 0 | 0 | 0 | 110.8 | L35 G69 A163 W164 S193 | S33-L35 PolarHBondContact O-N 3.04Å; S33-G69 PolarHBondContact N-O 3.34Å; S33-A163 PolarHBondContact OG-N 3.24Å; S33-W164 PolarHBondContact OG-N 2.93Å; S33-S193 PolarHBondContact OG-O 3.05Å |
| 34 | D | 94.8 | Very high | 91.4 | Very high | 31 Ų | 31 | 31.8 Ų | 31.8 | 17% | 0.166 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 123.4 | 161.7 | -178.9 | 20.9 | 0 | 0 | 0 | 109 | Q52 V53 S193 N195 A197 | D34-Q52 HydrophobicContact CB-CB 4.23Å; D34-Q52 HydrophobicContact CB-CG 4.45Å; D34-Q52 VanDerWaalsContact OD1-CA 3.26Å; D34-Q52 WeakPolarHBondContact OD1-CA 3.22Å; D34-Q52 WeakPolarHBondContact OD1-CB 3.41Å; D34-V53 PolarHBondContact OD1-N 3.01Å; D34-S193 WeakPolarHBondContact O-CB 3.44Å; D34-S193 PolarHBondContact O-N 2.64Å; D34-S193 VanDerWaalsContact O-N 3.08Å; D34-S193 PolarHBondContact O-OG 2.97Å; D34-N195 HydrophobicContact CB-CB 4.45Å; D34-N195 PolarHBondContact N-O 3.1Å; D34-A197 HydrophobicContact CB-CB 4.25Å |
| 35 | L | 95.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.6 | -178.8 | -58.4 | -177.3 | 0 | 0 | 0 | 110.3 | S33 L37 V53 A56 V67 I190 Y191 F192 | S33-L35 PolarHBondContact O-N 3.04Å; L35-L37 HydrophobicContact CB-CD2 4.35Å; L35-V53 HydrophobicContact CB-CB 4.18Å; L35-V53 HydrophobicContact CB-CG1 4.12Å; L35-V53 WeakPolarHBondContact CB-O 3.47Å; L35-V53 PolarHBondContact N-O 3.08Å; L35-V53 WeakPolarHBondContact O-CB 3.33Å; L35-A56 HydrophobicContact CD1-CB 4.05Å; L35-V67 HydrophobicContact CD1-CB 4.23Å; L35-V67 HydrophobicContact CD1-CG1 3.89Å; L35-V67 HydrophobicContact CD2-CG1 4.08Å; L35-I190 HydrophobicContact CB-CG2 4.39Å; L35-I190 HydrophobicContact CD1-CG2 4.29Å; L35-Y191 CarbonylContact C-O 3.59Å; L35-Y191 VanDerWaalsContact CA-O 3.28Å; L35-Y191 WeakPolarHBondContact CA-O 3.21Å; L35-F192 HydrophobicContact CD2-CD1 3.5Å; L35-F192 VanDerWaalsContact CD2-CD1 3.5Å; L35-F192 HydrophobicContact CD2-CE1 3.87Å; L35-F192 HydrophobicContact CD2-CG 4.06Å |
| 36 | L | 94.3 | Very high | 91.5 | Very high | 25 Ų | 25 | 28.5 Ų | 28.5 | 13% | 0.131 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 117.7 | 172.9 | -177.4 | 65.5 | 0 | 0 | 0 | 109.7 | I38 Y191 P251 L252 | L36-I38 HydrophobicContact CG-CG2 4.46Å; L36-Y191 PolarHBondContact N-O 3.34Å; L36-Y191 PolarHBondContact O-N 3.35Å; L36-P251 HydrophobicContact CD1-CB 4.1Å; L36-L252 HydrophobicContact CD2-CD1 4Å; L36-L252 HydrophobicContact CD2-CD2 3.41Å; L36-L252 VanDerWaalsContact CD2-CD2 3.41Å; L36-L252 HydrophobicContact CD2-CG 3.66Å |
| 37 | L | 93.8 | Very high | 91.6 | Very high | 17 Ų | 17 | 29.6 Ų | 29.6 | 9% | 0.089 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 134.6 | 176.5 | -48.5 | -173.2 | 0 | 0 | 0 | 110.1 | L35 A42 P44 V53 A56 G189 I190 H467 | L35-L37 HydrophobicContact CB-CD2 4.35Å; L37-A42 HydrophobicContact CB-CB 4.12Å; L37-P44 HydrophobicContact CD1-CB 4.06Å; L37-P44 HydrophobicContact CD1-CG 4.4Å; L37-V53 HydrophobicContact CD1-CG1 4.19Å; L37-V53 HydrophobicContact CD1-CG2 4.29Å; L37-V53 HydrophobicContact CD2-CG1 4.45Å; L37-V53 HydrophobicContact CG-CG1 4.43Å; L37-V53 HydrophobicContact CG-CG2 4.46Å; L37-A56 HydrophobicContact CD1-CB 4.21Å; L37-A56 HydrophobicContact CD2-CB 3.42Å; L37-A56 VanDerWaalsContact CD2-CB 3.42Å; L37-A56 HydrophobicContact CG-CB 4.46Å; L37-G189 CarbonylContact C-O 3.55Å; L37-G189 WeakPolarHBondContact CA-O 3.45Å; L37-I190 HydrophobicContact CD2-CB 4.29Å; L37-I190 HydrophobicContact CD2-CG1 3.97Å; L37-I190 HydrophobicContact CD2-CG2 3.83Å; L37-H467 VanDerWaalsContact C-CE1 3.4Å; L37-H467 PolarHBondContact O-CE1 3.32Å; L37-H467 PolarHBondContact O-NE2 3.25Å |
| 38 | I | 89.8 | Confident | 91.9 | Very high | 6 Ų | 6 | 22.7 Ų | 22.7 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | trans | -133.7 | 165.6 | 169.6 | 80.2 | 169.9 | 0 | 0 | 0 | 109.7 | L36 A42 G189 Y191 P251 L252 Y271 H467 | L36-I38 HydrophobicContact CG-CG2 4.46Å; I38-A42 WeakPolarHBondContact O-CB 3.39Å; I38-G189 PolarHBondContact N-O 3.36Å; I38-G189 CarbonylContact O-C 2.89Å; I38-G189 VanDerWaalsContact O-CA 3.27Å; I38-G189 WeakPolarHBondContact O-CA 3.29Å; I38-G189 VanDerWaalsContact O-O 3.06Å; I38-Y191 HydrophobicContact CD1-CE2 3.51Å; I38-Y191 WeakPolarHBondContact CD1-OH 3.45Å; I38-Y191 HydrophobicContact CG1-CE2 3.74Å; I38-Y191 HydrophobicContact CG2-CD2 4.46Å; I38-Y191 HydrophobicContact CG2-CE2 4.17Å; I38-P251 HydrophobicContact CB-CG 4.49Å; I38-P251 HydrophobicContact CG2-CG 3.75Å; I38-L252 HydrophobicContact CD1-CD1 4.23Å; I38-L252 HydrophobicContact CG2-CB 4.36Å; I38-L252 HydrophobicContact CG2-CD1 3.73Å; I38-L252 HydrophobicContact CG2-CG 3.87Å; I38-Y271 HydrophobicContact CD1-CD2 3.87Å; I38-Y271 HydrophobicContact CD1-CE2 4.5Å; I38-H467 WeakPolarHBondContact CA-NE2 3.17Å; I38-H467 PolarHBondContact N-NE2 3.15Å | ||
| 39 | G | 80.6 | Confident | 92.3 | Very high | 8 Ų | 8 | 24.6 Ų | 24.6 | 8% | 0.082 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 76.1 | 165.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H41 H467 | G39-H41 PolarHBondContact O-N 2.97Å; G39-H467 PolarHBondContact N-NE2 3.01Å; G39-H467 PolarHBondContact O-CD2 2.81Å; G39-H467 PolarHBondContact O-NE2 2.9Å |
| 40 | D | 83.9 | Confident | 92.5 | Very high | 36 Ų | 36 | 22.4 Ų | 22.4 | 19% | 0.193 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -77.2 | -22.3 | -167.2 | -69.6 | -30.5 | 0 | 0 | 0 | 114.3 | H10 Q392 S465 | H10-D40 PolarHBondContact CE1-O 2.97Å; D40-Q392 VanDerWaalsContact OD2-CG 3.29Å; D40-Q392 WeakPolarHBondContact OD2-CG 3.4Å; D40-Q392 PolarHBondContact OD2-NE2 3.1Å; D40-S465 VanDerWaalsContact OD1-CB 3.3Å; D40-S465 WeakPolarHBondContact OD1-CB 3.34Å; D40-S465 PolarHBondContact OD1-OG 2.9Å |
| 41 | H | 91.4 | Very high | 92.6 | Very high | 70 Ų | 70 | 21.4 Ų | 21.4 | 32% | 0.324 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -94.8 | -13.5 | -174.5 | -62.2 | -48.4 | 0 | 0 | 0 | 114.9 | H10 G39 F43 S58 L59 | H10-H41 AromaticContact NE2-ND1 3.81Å; G39-H41 PolarHBondContact O-N 2.97Å; H41-F43 WeakPolarHBondContact O-CD1 3.45Å; H41-S58 VanDerWaalsContact C-OG 3.3Å; H41-S58 WeakPolarHBondContact O-CA 3.35Å; H41-S58 PolarHBondContact O-OG 3.09Å; H41-L59 HydrophobicContact CB-CB 3.99Å; H41-L59 HydrophobicContact CB-CG 4.47Å |
| 42 | A | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | trans | -79 | 128.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L37 I38 A57 S58 I190 C466 | L37-A42 HydrophobicContact CB-CB 4.12Å; I38-A42 WeakPolarHBondContact O-CB 3.39Å; A42-A57 WeakPolarHBondContact CA-O 3.33Å; A42-S58 PolarHBondContact N-OG 3.19Å; A42-I190 HydrophobicContact CB-CG1 4.03Å; A42-C466 WeakPolarHBondContact O-CB 3.37Å | ||
| 43 | F | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 146 | 176.7 | 63 | -85.7 | 0 | 0 | 0 | 112.1 | H10 A13 L17 H41 L45 A56 A57 W87 I208 C466 | H10-F43 HydrophobicContact CB-CD1 4.08Å; H10-F43 HydrophobicContact CB-CE1 4.47Å; H10-F43 HydrophobicContact CB-CG 4.26Å; H10-F43 AromaticContact CD2-CD1 3.59Å; H10-F43 AromaticContact CD2-CE1 3.86Å; H10-F43 AromaticContact CG-CD1 3.96Å; A13-F43 HydrophobicContact CB-CE1 4.28Å; A13-F43 HydrophobicContact CB-CE2 4.42Å; A13-F43 HydrophobicContact CB-CZ 3.66Å; L17-F43 HydrophobicContact CD1-CE2 4.22Å; L17-F43 HydrophobicContact CD1-CZ 4.12Å; H41-F43 WeakPolarHBondContact O-CD1 3.45Å; F43-L45 HydrophobicContact CD2-CD2 4.11Å; F43-L45 HydrophobicContact CE2-CD2 3.61Å; F43-A56 WeakPolarHBondContact O-CA 3.25Å; F43-A56 WeakPolarHBondContact O-CB 3.43Å; F43-A57 WeakPolarHBondContact CD1-O 3.27Å; F43-A57 HydrophobicContact CE1-CB 3.93Å; F43-A57 HydrophobicContact CE2-CB 3.95Å; F43-A57 HydrophobicContact CZ-CB 3.55Å; F43-A57 PolarHBondContact N-O 2.84Å; F43-A57 PolarHBondContact O-N 3.02Å; F43-W87 HydrophobicContact CZ-CZ2 4.46Å; F43-I208 HydrophobicContact CB-CD1 4.3Å; F43-I208 HydrophobicContact CD2-CD1 4.24Å; F43-I208 HydrophobicContact CG-CD1 4.43Å; F43-C466 HydrophobicContact CB-CB 4.09Å |
| 44 | P | 95.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 140.3 | -179.8 | 31.3 | -34.4 | 0 | 0 | 0 | 111.3 | L37 M47 V53 I208 P209 C466 | L37-P44 HydrophobicContact CD1-CB 4.06Å; L37-P44 HydrophobicContact CD1-CG 4.4Å; P44-M47 HydrophobicContact CB-CE 4.32Å; P44-M47 HydrophobicContact CG-CE 4.05Å; P44-V53 HydrophobicContact CB-CG1 3.75Å; P44-V53 HydrophobicContact CB-CG2 4.01Å; P44-I208 HydrophobicContact CG-CG2 3.77Å; P44-P209 HydrophobicContact CB-CG 4.11Å; P44-P209 HydrophobicContact CG-CG 4.01Å; P44-P209 WeakPolarHBondContact CG-O 3.26Å; P44-C466 VanDerWaalsContact CD-SG 3.58Å |
| 45 | L | 96.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -35.5 | 168.5 | -57.4 | -179.1 | 0 | 0 | 0 | 111.2 | Y14 L17 M18 F43 M55 A57 V66 | Y14-L45 HydrophobicContact CD2-CD2 4.1Å; L17-L45 HydrophobicContact CB-CD2 4.16Å; L17-L45 HydrophobicContact CD1-CD1 4.12Å; L17-L45 HydrophobicContact CD1-CD2 3.54Å; L17-L45 HydrophobicContact CD1-CG 4.46Å; L17-L45 HydrophobicContact CG-CD2 4.47Å; M18-L45 HydrophobicContact SD-CB 4.29Å; F43-L45 HydrophobicContact CD2-CD2 4.11Å; F43-L45 HydrophobicContact CE2-CD2 3.61Å; L45-M55 HydrophobicContact CB-CB 4.11Å; L45-M55 PolarHBondContact N-O 2.91Å; L45-A57 HydrophobicContact CD1-CB 4.24Å; L45-A57 HydrophobicContact CD2-CB 4.12Å; L45-A57 HydrophobicContact CG-CB 4.3Å; L45-V66 HydrophobicContact CD1-CG1 4.09Å |
| 46 | A | 95.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 132.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L24 F26 V53 L54 M55 L202 | L24-A46 HydrophobicContact CD1-CB 3.87Å; F26-A46 HydrophobicContact CE2-CB 4.25Å; F26-A46 HydrophobicContact CZ-CB 3.98Å; A46-V53 WeakPolarHBondContact O-CA 3.34Å; A46-L54 HydrophobicContact CB-CB 4.45Å; A46-L54 PolarHBondContact O-N 3.19Å; A46-M55 HydrophobicContact CB-CB 4.49Å; A46-M55 HydrophobicContact CB-CE 3.67Å; A46-M55 PolarHBondContact N-O 3.23Å; A46-L202 HydrophobicContact CB-CD1 4.2Å |
| 47 | M | 94.6 | Very high | 93 | Very high | 24 Ų | 24 | 18.4 Ų | 18.4 | 12% | 0.118 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 130.3 | 177.2 | -175.6 | -171.7 | -69.8 | 0 | 0 | 109.1 | P44 Q52 V53 L202 P209 A214 | P44-M47 HydrophobicContact CB-CE 4.32Å; P44-M47 HydrophobicContact CG-CE 4.05Å; M47-Q52 CarbonylContact C-O 3.47Å; M47-Q52 WeakPolarHBondContact CA-O 3.44Å; M47-Q52 WeakPolarHBondContact CG-O 3.3Å; M47-V53 HydrophobicContact CE-CG2 3.97Å; M47-L202 WeakPolarHBondContact O-CD1 3.37Å; M47-P209 HydrophobicContact CB-CB 3.92Å; M47-P209 HydrophobicContact CB-CG 4.05Å; M47-A214 HydrophobicContact CE-CB 3.8Å; M47-A214 HydrophobicContact SD-CB 4.06Å |
| 48 | N | 93.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 3% | 0.032 | 10% | 0.097 | C | C | . | . | trans | -81 | 174.7 | 179 | 73.2 | 9.8 | 0 | 0 | 0 | 112.4 | K50 G51 Q52 L54 E198 E200 L202 | N48-K50 PolarHBondContact O-N 3.29Å; N48-K50 VanDerWaalsContact O-N 3.11Å; N48-K50 WeakPolarHBondContact OD1-CA 3.4Å; N48-K50 WeakPolarHBondContact OD1-CB 3.48Å; N48-K50 PolarHBondContact OD1-N 2.87Å; N48-G51 PolarHBondContact O-N 2.88Å; N48-G51 PolarHBondContact OD1-N 3.07Å; N48-Q52 PolarHBondContact N-O 3Å; N48-Q52 PolarHBondContact ND2-OE1 3.06Å; N48-Q52 WeakPolarHBondContact OD1-CB 3.22Å; N48-Q52 PolarHBondContact OD1-N 3.18Å; N48-L54 HydrophobicContact CB-CD1 3.91Å; N48-E198 PolarHBondContact ND2-O 3.36Å; N48-E200 HydrophobicContact CB-CB 4.36Å; N48-E200 WeakPolarHBondContact CB-OE2 3.35Å; N48-L202 HydrophobicContact CB-CD1 4.33Å; N48-L202 HydrophobicContact CB-CD2 4.23Å | ||
| 49 | S | 90.6 | Very high | 93.3 | Very high | 72 Ų | 72 | 18.8 Ų | 18.8 | 50% | 0.503 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.6 | 179 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | G51 E200 | S49-G51 VanDerWaalsContact C-N 3.34Å; S49-E200 VanDerWaalsContact CB-OE2 3.23Å; S49-E200 WeakPolarHBondContact CB-OE2 3.2Å; S49-E200 PolarHBondContact N-OE2 2.98Å; S49-E200 PolarHBondContact OG-OE2 3.5Å |
| 50 | K | 90.4 | Very high | 93.9 | Very high | 90 Ų | 90 | 19 Ų | 19 | 39% | 0.391 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -1.6 | 172.5 | -56.2 | -60 | -170.8 | -179.4 | 0 | 113.7 | N48 Q52 E198 M213 | N48-K50 PolarHBondContact O-N 3.29Å; N48-K50 VanDerWaalsContact O-N 3.11Å; N48-K50 WeakPolarHBondContact OD1-CA 3.4Å; N48-K50 WeakPolarHBondContact OD1-CB 3.48Å; N48-K50 PolarHBondContact OD1-N 2.87Å; K50-Q52 VanDerWaalsContact C-N 3.28Å; K50-Q52 HydrophobicContact CB-CG 4.12Å; K50-E198 VanDerWaalsContact CE-CD 3.46Å; K50-E198 VanDerWaalsContact CE-OE1 3.32Å; K50-E198 WeakPolarHBondContact CE-OE1 3.38Å; K50-E198 WeakPolarHBondContact CE-OE2 3.29Å; K50-E198 IonicContact NZ-OE2 3.3Å; K50-M213 HydrophobicContact CB-CE 4.3Å; K50-M213 HydrophobicContact CD-CE 4.04Å; K50-M213 WeakPolarHBondContact O-CB 3.11Å |
| 51 | G | 90.6 | Very high | 94.3 | Very high | 8 Ų | 8 | 20 Ų | 20 | 8% | 0.082 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 77.1 | 12.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N48 S49 A214 | N48-G51 PolarHBondContact O-N 2.88Å; N48-G51 PolarHBondContact OD1-N 3.07Å; S49-G51 VanDerWaalsContact C-N 3.34Å; G51-A214 WeakPolarHBondContact O-CB 3.47Å |
| 52 | Q | 94.2 | Very high | 94.2 | Very high | 30 Ų | 30 | 20.2 Ų | 20.2 | 14% | 0.14 | 13% | 0.134 | C | C | . | . | trans | -79.9 | 141.1 | 174.9 | -59 | 174.1 | -57.5 | 0 | 0 | 109.1 | D34 M47 N48 K50 L54 P196 A197 | D34-Q52 HydrophobicContact CB-CB 4.23Å; D34-Q52 HydrophobicContact CB-CG 4.45Å; D34-Q52 VanDerWaalsContact OD1-CA 3.26Å; D34-Q52 WeakPolarHBondContact OD1-CA 3.22Å; D34-Q52 WeakPolarHBondContact OD1-CB 3.41Å; M47-Q52 CarbonylContact C-O 3.47Å; M47-Q52 WeakPolarHBondContact CA-O 3.44Å; M47-Q52 WeakPolarHBondContact CG-O 3.3Å; N48-Q52 PolarHBondContact N-O 3Å; N48-Q52 PolarHBondContact ND2-OE1 3.06Å; N48-Q52 WeakPolarHBondContact OD1-CB 3.22Å; N48-Q52 PolarHBondContact OD1-N 3.18Å; K50-Q52 VanDerWaalsContact C-N 3.28Å; K50-Q52 HydrophobicContact CB-CG 4.12Å; Q52-L54 WeakPolarHBondContact O-CD1 3.39Å; Q52-P196 PolarHBondContact NE2-O 3.36Å; Q52-A197 HydrophobicContact CB-CB 4.08Å | ||
| 53 | V | 95.2 | Very high | 94.2 | Very high | 9 Ų | 9 | 20.2 Ų | 20.2 | 6% | 0.055 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.8 | -178.2 | 179.3 | 0 | 0 | 0 | 0 | 109 | D34 L35 L37 P44 A46 M47 M55 A56 | D34-V53 PolarHBondContact OD1-N 3.01Å; L35-V53 HydrophobicContact CB-CB 4.18Å; L35-V53 HydrophobicContact CB-CG1 4.12Å; L35-V53 WeakPolarHBondContact CB-O 3.47Å; L35-V53 PolarHBondContact N-O 3.08Å; L35-V53 WeakPolarHBondContact O-CB 3.33Å; L37-V53 HydrophobicContact CD1-CG1 4.19Å; L37-V53 HydrophobicContact CD1-CG2 4.29Å; L37-V53 HydrophobicContact CD2-CG1 4.45Å; L37-V53 HydrophobicContact CG-CG1 4.43Å; L37-V53 HydrophobicContact CG-CG2 4.46Å; P44-V53 HydrophobicContact CB-CG1 3.75Å; P44-V53 HydrophobicContact CB-CG2 4.01Å; A46-V53 WeakPolarHBondContact O-CA 3.34Å; M47-V53 HydrophobicContact CE-CG2 3.97Å; V53-M55 WeakPolarHBondContact CG1-O 3.27Å; V53-A56 HydrophobicContact CG1-CB 4.15Å |
| 54 | L | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -26.4 | -174.8 | -69.1 | 78.8 | 0 | 0 | 0 | 112.1 | F26 P32 A46 N48 Q52 G69 A197 L202 | F26-L54 HydrophobicContact CB-CD2 4.06Å; F26-L54 HydrophobicContact CD1-CD2 3.56Å; F26-L54 HydrophobicContact CD2-CD2 3.68Å; F26-L54 HydrophobicContact CE1-CB 4.1Å; F26-L54 HydrophobicContact CE1-CD2 3.79Å; F26-L54 HydrophobicContact CE2-CD2 3.95Å; F26-L54 HydrophobicContact CG-CD2 3.47Å; F26-L54 VanDerWaalsContact CG-CD2 3.47Å; F26-L54 HydrophobicContact CZ-CB 4.16Å; F26-L54 HydrophobicContact CZ-CD2 3.98Å; P32-L54 HydrophobicContact CG-CD2 3.92Å; P32-L54 HydrophobicContact CG-CG 4.17Å; A46-L54 HydrophobicContact CB-CB 4.45Å; A46-L54 PolarHBondContact O-N 3.19Å; N48-L54 HydrophobicContact CB-CD1 3.91Å; Q52-L54 WeakPolarHBondContact O-CD1 3.39Å; L54-G69 WeakPolarHBondContact O-CA 3.46Å; L54-G69 PolarHBondContact O-N 3.49Å; L54-A197 HydrophobicContact CG-CB 4.29Å; L54-L202 HydrophobicContact CD1-CD1 4.36Å |
| 55 | M | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 143 | 179.3 | -58.5 | -179.1 | -57.1 | 0 | 0 | 108.7 | L24 F26 L45 A46 V53 V67 L68 Y73 F77 L80 | L24-M55 HydrophobicContact CD1-CE 3.37Å; L24-M55 HydrophobicContact CD2-CE 4.09Å; L24-M55 HydrophobicContact CG-CE 4.31Å; F26-M55 HydrophobicContact CE1-CE 4.31Å; F26-M55 HydrophobicContact CE1-SD 4.34Å; F26-M55 HydrophobicContact CZ-CE 3.75Å; F26-M55 HydrophobicContact CZ-SD 4.36Å; L45-M55 HydrophobicContact CB-CB 4.11Å; L45-M55 PolarHBondContact N-O 2.91Å; A46-M55 HydrophobicContact CB-CB 4.49Å; A46-M55 HydrophobicContact CB-CE 3.67Å; A46-M55 PolarHBondContact N-O 3.23Å; V53-M55 WeakPolarHBondContact CG1-O 3.27Å; M55-V67 VanDerWaalsContact CA-O 3.3Å; M55-V67 WeakPolarHBondContact CA-O 3.45Å; M55-L68 HydrophobicContact CB-CD2 4.09Å; M55-L68 HydrophobicContact CG-CB 4.42Å; M55-L68 HydrophobicContact CG-CD2 3.8Å; M55-L68 HydrophobicContact SD-CD2 3.66Å; M55-Y73 HydrophobicContact SD-CD2 4.42Å; M55-F77 HydrophobicContact SD-CD2 4.16Å; M55-F77 HydrophobicContact SD-CE2 4.35Å; M55-L80 HydrophobicContact CE-CD2 3.45Å; M55-L80 VanDerWaalsContact CE-CD2 3.45Å; M55-L80 HydrophobicContact SD-CD2 3.48Å; M55-L80 WeakPolarHBondContact SD-CD2 3.45Å |
| 56 | A | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 163.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L35 L37 F43 V53 V67 I190 | L35-A56 HydrophobicContact CD1-CB 4.05Å; L37-A56 HydrophobicContact CD1-CB 4.21Å; L37-A56 HydrophobicContact CD2-CB 3.42Å; L37-A56 VanDerWaalsContact CD2-CB 3.42Å; L37-A56 HydrophobicContact CG-CB 4.46Å; F43-A56 WeakPolarHBondContact O-CA 3.25Å; F43-A56 WeakPolarHBondContact O-CB 3.43Å; V53-A56 HydrophobicContact CG1-CB 4.15Å; A56-V67 PolarHBondContact N-O 2.9Å; A56-V67 PolarHBondContact O-N 3.39Å; A56-I190 HydrophobicContact CB-CD1 3.85Å; A56-I190 HydrophobicContact CB-CG1 4.35Å; A56-I190 HydrophobicContact CB-CG2 4.18Å |
| 57 | A | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 154.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L17 A42 F43 L45 I65 V66 W87 | L17-A57 HydrophobicContact CD1-CB 3.73Å; A42-A57 WeakPolarHBondContact CA-O 3.33Å; F43-A57 WeakPolarHBondContact CD1-O 3.27Å; F43-A57 HydrophobicContact CE1-CB 3.93Å; F43-A57 HydrophobicContact CE2-CB 3.95Å; F43-A57 HydrophobicContact CZ-CB 3.55Å; F43-A57 PolarHBondContact N-O 2.84Å; F43-A57 PolarHBondContact O-N 3.02Å; L45-A57 HydrophobicContact CD1-CB 4.24Å; L45-A57 HydrophobicContact CD2-CB 4.12Å; L45-A57 HydrophobicContact CG-CB 4.3Å; A57-I65 CarbonylContact C-O 3.53Å; A57-I65 VanDerWaalsContact CA-O 3.24Å; A57-I65 WeakPolarHBondContact CA-O 3.29Å; A57-V66 HydrophobicContact CB-CG2 4.14Å; A57-W87 HydrophobicContact CB-CH2 4.03Å; A57-W87 HydrophobicContact CB-CZ3 3.93Å |
| 58 | S | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 175.5 | 178.9 | -166.9 | 0 | 0 | 0 | 0 | 111.9 | H41 A42 I65 A188 | H41-S58 VanDerWaalsContact C-OG 3.3Å; H41-S58 WeakPolarHBondContact O-CA 3.35Å; H41-S58 PolarHBondContact O-OG 3.09Å; A42-S58 PolarHBondContact N-OG 3.19Å; S58-I65 PolarHBondContact N-O 3.49Å; S58-I65 PolarHBondContact O-N 3.21Å; S58-A188 WeakPolarHBondContact CB-O 3.36Å; S58-A188 PolarHBondContact OG-O 2.63Å |
| 59 | L | 94.1 | Very high | 94.7 | Very high | 30 Ų | 30 | 20 Ų | 20 | 16% | 0.157 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.7 | 174.4 | -56.6 | 178 | 0 | 0 | 0 | 109.9 | V8 H41 R64 W87 | V8-L59 HydrophobicContact CB-CD1 4.1Å; V8-L59 HydrophobicContact CG1-CD1 3.36Å; V8-L59 HydrophobicContact CG2-CD1 3.54Å; H41-L59 HydrophobicContact CB-CB 3.99Å; H41-L59 HydrophobicContact CB-CG 4.47Å; L59-R64 HydrophobicContact CD2-CB 4.29Å; L59-R64 HydrophobicContact CD2-CG 3.62Å; L59-W87 HydrophobicContact CD2-CH2 4.02Å; L59-W87 HydrophobicContact CD2-CZ2 3.96Å |
| 60 | Y | 93.2 | Very high | 95 | Very high | 13 Ų | 13 | 17.6 Ų | 17.6 | 5% | 0.051 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 124 | 170.7 | -175.5 | -101.4 | 0 | 0 | 0 | 110.8 | A62 G63 V148 M151 K152 V187 A357 E358 | Y60-A62 PolarHBondContact O-N 3.38Å; Y60-G63 PolarHBondContact N-O 3.31Å; Y60-G63 PolarHBondContact O-N 3.17Å; Y60-V148 HydrophobicContact CE1-CG1 3.77Å; Y60-M151 HydrophobicContact CD1-CE 3.83Å; Y60-M151 HydrophobicContact CD1-CG 4.47Å; Y60-M151 HydrophobicContact CG-CE 4.04Å; Y60-K152 HydrophobicContact CD1-CB 4.16Å; Y60-K152 HydrophobicContact CE1-CB 3.94Å; Y60-K152 HydrophobicContact CE1-CD 4.15Å; Y60-K152 HydrophobicContact CE1-CG 4.13Å; Y60-V187 HydrophobicContact CD1-CG2 3.83Å; Y60-V187 HydrophobicContact CD2-CB 4.43Å; Y60-V187 HydrophobicContact CD2-CG2 3.99Å; Y60-V187 WeakPolarHBondContact CD2-O 3.38Å; Y60-V187 HydrophobicContact CE1-CG2 3.89Å; Y60-V187 HydrophobicContact CE2-CB 4.16Å; Y60-V187 HydrophobicContact CE2-CG2 4.06Å; Y60-V187 WeakPolarHBondContact CE2-O 3.48Å; Y60-V187 HydrophobicContact CG-CG2 3.87Å; Y60-A357 HydrophobicContact CE2-CB 4.11Å; Y60-E358 WeakPolarHBondContact OH-CG 3.41Å; Y60-E358 PolarHBondContact OH-OE1 3.02Å |
| 61 | G | 91 | Very high | 95.2 | Very high | 56 Ų | 56 | 16.4 Ų | 16.4 | 58% | 0.577 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | -125.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 62 | A | 90.3 | Very high | 95.3 | Very high | 75 Ų | 75 | 16.8 Ų | 16.8 | 62% | 0.62 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -7.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y60 K152 | Y60-A62 PolarHBondContact O-N 3.38Å; A62-K152 PolarHBondContact N-O 3.49Å |
| 63 | G | 92.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -176.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y60 M151 G155 | Y60-G63 PolarHBondContact N-O 3.31Å; Y60-G63 PolarHBondContact O-N 3.17Å; G63-M151 WeakPolarHBondContact CA-O 3.42Å; G63-M151 PolarHBondContact N-O 2.97Å; G63-G155 WeakPolarHBondContact CA-O 3.36Å |
| 64 | R | 95.1 | Very high | 95.3 | Very high | 32 Ų | 32 | 15.3 Ų | 15.3 | 12% | 0.121 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147.6 | -169.8 | -57.5 | -177.2 | 174.3 | 178.8 | -3.1 | 110 | L59 W87 L88 D91 G155 G156 V157 | L59-R64 HydrophobicContact CD2-CB 4.29Å; L59-R64 HydrophobicContact CD2-CG 3.62Å; R64-W87 HydrophobicContact CB-CE3 4.19Å; R64-W87 HydrophobicContact CB-CH2 3.98Å; R64-W87 HydrophobicContact CB-CZ3 3.78Å; R64-W87 WeakPolarHBondContact CD-O 3.49Å; R64-W87 HydrophobicContact CG-CH2 4.27Å; R64-W87 HydrophobicContact CG-CZ2 4.38Å; R64-W87 HydrophobicContact CG-CZ3 4.44Å; R64-W87 PolarHBondContact NH1-O 2.93Å; R64-L88 VanDerWaalsContact C-CD2 3.45Å; R64-L88 HydrophobicContact CB-CD2 3.7Å; R64-L88 VanDerWaalsContact O-CD2 3.26Å; R64-L88 WeakPolarHBondContact O-CD2 3.39Å; R64-D91 IonicContact CZ-OD1 3.89Å; R64-D91 IonicContact CZ-OD2 3.02Å; R64-D91 IonicContact NH1-OD1 2.7Å; R64-D91 PolarHBondContact NH1-OD1 2.81Å; R64-D91 IonicContact NH2-OD1 2.68Å; R64-D91 PolarHBondContact NH2-OD1 3.11Å; R64-D91 IonicContact NH2-OD2 2.64Å; R64-D91 PolarHBondContact NH2-OD2 3.31Å; R64-G155 PolarHBondContact N-O 2.94Å; R64-G156 WeakPolarHBondContact O-CA 2.92Å; R64-V157 PolarHBondContact O-N 3.34Å |
| 65 | I | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 140.8 | 174.6 | -170.9 | 170.5 | 0 | 0 | 0 | 111.6 | A57 S58 V67 M151 V157 I159 A188 I190 | A57-I65 CarbonylContact C-O 3.53Å; A57-I65 VanDerWaalsContact CA-O 3.24Å; A57-I65 WeakPolarHBondContact CA-O 3.29Å; S58-I65 PolarHBondContact N-O 3.49Å; S58-I65 PolarHBondContact O-N 3.21Å; I65-V67 HydrophobicContact CD1-CG2 4Å; I65-V67 HydrophobicContact CG1-CG2 3.93Å; I65-M151 HydrophobicContact CB-SD 3.81Å; I65-M151 HydrophobicContact CD1-SD 4.32Å; I65-M151 HydrophobicContact CG2-SD 4.19Å; I65-V157 CarbonylContact C-O 3.54Å; I65-V157 VanDerWaalsContact CA-O 3.26Å; I65-V157 WeakPolarHBondContact CA-O 3.34Å; I65-V157 HydrophobicContact CD1-CB 4.41Å; I65-V157 HydrophobicContact CD1-CG1 4.33Å; I65-V157 HydrophobicContact CG1-CB 4.11Å; I65-V157 HydrophobicContact CG1-CG1 4.35Å; I65-V157 WeakPolarHBondContact CG1-O 3.38Å; I65-I159 HydrophobicContact CD1-CG2 4.05Å; I65-I159 HydrophobicContact CG1-CG2 4.35Å; I65-A188 HydrophobicContact CG2-CB 3.56Å; I65-I190 HydrophobicContact CG2-CD1 4.36Å |
| 66 | V | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.1 | 167.4 | 175.9 | 0 | 0 | 0 | 0 | 108 | L17 L45 A57 L68 A84 W87 L88 V157 L158 I159 | L17-V66 HydrophobicContact CD2-CG2 4.04Å; L45-V66 HydrophobicContact CD1-CG1 4.09Å; A57-V66 HydrophobicContact CB-CG2 4.14Å; V66-L68 HydrophobicContact CG1-CD2 3.98Å; V66-A84 HydrophobicContact CB-CB 4.38Å; V66-A84 HydrophobicContact CG1-CB 4.23Å; V66-A84 HydrophobicContact CG2-CB 4.1Å; V66-W87 HydrophobicContact CG2-CE3 3.78Å; V66-W87 HydrophobicContact CG2-CZ3 3.78Å; V66-L88 HydrophobicContact CB-CD1 4.34Å; V66-L88 HydrophobicContact CG2-CD1 4.25Å; V66-L88 HydrophobicContact CG2-CD2 4.02Å; V66-L88 HydrophobicContact CG2-CG 4.1Å; V66-V157 PolarHBondContact N-O 3.48Å; V66-L158 HydrophobicContact CB-CD1 3.76Å; V66-L158 HydrophobicContact CG1-CD1 3.68Å; V66-L158 WeakPolarHBondContact O-CA 3.4Å; V66-I159 PolarHBondContact O-N 3.15Å |
| 67 | V | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.1 | -174.5 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | L35 M55 A56 I65 I159 I190 F192 | L35-V67 HydrophobicContact CD1-CB 4.23Å; L35-V67 HydrophobicContact CD1-CG1 3.89Å; L35-V67 HydrophobicContact CD2-CG1 4.08Å; M55-V67 VanDerWaalsContact CA-O 3.3Å; M55-V67 WeakPolarHBondContact CA-O 3.45Å; A56-V67 PolarHBondContact N-O 2.9Å; A56-V67 PolarHBondContact O-N 3.39Å; I65-V67 HydrophobicContact CD1-CG2 4Å; I65-V67 HydrophobicContact CG1-CG2 3.93Å; V67-I159 CarbonylContact C-O 3.58Å; V67-I159 WeakPolarHBondContact CA-O 3.49Å; V67-I159 HydrophobicContact CB-CG2 4.18Å; V67-I159 HydrophobicContact CG1-CG2 4.11Å; V67-I159 HydrophobicContact CG2-CG2 3.7Å; V67-I190 HydrophobicContact CB-CD1 4.25Å; V67-I190 HydrophobicContact CB-CG2 3.83Å; V67-I190 HydrophobicContact CG1-CG2 3.87Å; V67-I190 HydrophobicContact CG2-CB 3.99Å; V67-I190 HydrophobicContact CG2-CD1 3.62Å; V67-I190 HydrophobicContact CG2-CG1 4.4Å; V67-I190 HydrophobicContact CG2-CG2 3.76Å; V67-F192 HydrophobicContact CG1-CD2 4.49Å; V67-F192 HydrophobicContact CG1-CE1 3.68Å; V67-F192 HydrophobicContact CG1-CE2 3.69Å; V67-F192 HydrophobicContact CG1-CZ 3.23Å |
| 68 | L | 97.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.7 | 176.7 | -44.7 | -179.1 | 0 | 0 | 0 | 109.8 | M55 V66 H70 L74 L158 I159 A160 G161 F192 | M55-L68 HydrophobicContact CB-CD2 4.09Å; M55-L68 HydrophobicContact CG-CB 4.42Å; M55-L68 HydrophobicContact CG-CD2 3.8Å; M55-L68 HydrophobicContact SD-CD2 3.66Å; V66-L68 HydrophobicContact CG1-CD2 3.98Å; L68-H70 PolarHBondContact O-N 3.28Å; L68-L74 HydrophobicContact CD1-CD2 3.72Å; L68-L74 HydrophobicContact CD1-CG 4.15Å; L68-L158 HydrophobicContact CD1-CD1 4.29Å; L68-L158 HydrophobicContact CG-CD1 4.19Å; L68-I159 PolarHBondContact N-O 3.04Å; L68-A160 HydrophobicContact CB-CB 3.85Å; L68-A160 HydrophobicContact CD1-CB 4.25Å; L68-A160 HydrophobicContact CG-CB 4.3Å; L68-A160 VanDerWaalsContact O-CA 3.28Å; L68-A160 WeakPolarHBondContact O-CA 3.46Å; L68-G161 PolarHBondContact O-N 3.16Å; L68-F192 WeakPolarHBondContact O-CE1 3.03Å |
| 69 | G | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -66.5 | 1.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | P32 S33 L54 G161 | P32-G69 CarbonylContact C-O 3.52Å; P32-G69 WeakPolarHBondContact CA-O 3.32Å; P32-G69 WeakPolarHBondContact CB-O 3.43Å; S33-G69 PolarHBondContact N-O 3.34Å; L54-G69 WeakPolarHBondContact O-CA 3.46Å; L54-G69 PolarHBondContact O-N 3.49Å; G69-G161 CarbonylContact C-O 3.52Å; G69-G161 WeakPolarHBondContact CA-O 3.23Å; G69-G161 CarbonylContact O-C 3.51Å |
| 70 | H | 95.8 | Very high | 94.2 | Very high | 23 Ų | 23 | 26.6 Ų | 26.6 | 11% | 0.106 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -158.2 | 141.5 | 172.5 | -164 | -82.2 | 0 | 0 | 0 | 110.9 | C30 V31 P32 L68 G72 Y73 G161 | C30-H70 HydrophobicContact CB-CB 4.44Å; C30-H70 WeakPolarHBondContact CB-ND1 3.46Å; C30-H70 VanDerWaalsContact SG-CE1 3.53Å; V31-H70 PolarHBondContact O-CD2 2.79Å; V31-H70 VanDerWaalsContact O-CD2 3.3Å; P32-H70 HydrophobicContact CB-CB 4.21Å; L68-H70 PolarHBondContact O-N 3.28Å; H70-G72 VanDerWaalsContact C-N 3.31Å; H70-G72 PolarHBondContact ND1-N 3.17Å; H70-G72 PolarHBondContact O-N 3.4Å; H70-Y73 HydrophobicContact CB-CD1 4.36Å; H70-Y73 HydrophobicContact CB-CD2 4.05Å; H70-Y73 HydrophobicContact CB-CE1 4.17Å; H70-Y73 HydrophobicContact CB-CE2 3.88Å; H70-Y73 HydrophobicContact CB-CG 4.27Å; H70-Y73 WeakPolarHBondContact O-CB 3.14Å; H70-Y73 PolarHBondContact O-N 2.82Å; H70-G161 PolarHBondContact N-O 2.95Å |
| 71 | E | 94.7 | Very high | 94.3 | Very high | 64 Ų | 64 | 26.3 Ų | 26.3 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -34.4 | -179.6 | 64.1 | -78.2 | 178.4 | 0 | 0 | 113.3 | Y73 L74 A160 G161 | E71-Y73 PolarHBondContact O-N 2.82Å; E71-L74 VanDerWaalsContact O-CB 3.26Å; E71-L74 WeakPolarHBondContact O-CB 3.1Å; E71-L74 WeakPolarHBondContact O-CG 3.29Å; E71-L74 PolarHBondContact O-N 2.86Å; E71-A160 HydrophobicContact CB-CB 4.42Å; E71-G161 WeakPolarHBondContact OE2-CA 3.36Å |
| 72 | G | 93.8 | Very high | 94.4 | Very high | 16 Ų | 16 | 27.5 Ų | 27.5 | 17% | 0.165 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | H70 L74 T75 A76 | H70-G72 VanDerWaalsContact C-N 3.31Å; H70-G72 PolarHBondContact ND1-N 3.17Å; H70-G72 PolarHBondContact O-N 3.4Å; G72-L74 PolarHBondContact O-N 2.85Å; G72-T75 PolarHBondContact O-N 3.4Å; G72-T75 PolarHBondContact O-OG1 3.2Å; G72-A76 PolarHBondContact O-N 2.88Å; G72-A76 VanDerWaalsContact O-N 3.07Å |
| 73 | Y | 94.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 2% | 0.02 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.1 | -18.9 | 179.5 | -62.3 | -13.3 | 0 | 0 | 0 | 113.8 | F26 C30 P32 M55 H70 E71 T75 A76 F77 | F26-Y73 HydrophobicContact CD1-CD2 4.41Å; F26-Y73 HydrophobicContact CD1-CE1 4.01Å; F26-Y73 AromaticContact CD1-CE2 3.63Å; F26-Y73 HydrophobicContact CD1-CE2 3.63Å; F26-Y73 AromaticContact CD1-CZ 3.45Å; F26-Y73 VanDerWaalsContact CD1-CZ 3.45Å; F26-Y73 WeakPolarHBondContact CD1-OH 3.45Å; F26-Y73 HydrophobicContact CE1-CD2 4.04Å; F26-Y73 AromaticContact CE1-CE2 3.6Å; F26-Y73 HydrophobicContact CE1-CE2 3.6Å; F26-Y73 AromaticContact CE1-CZ 3.92Å; C30-Y73 HydrophobicContact CB-CD1 4.38Å; C30-Y73 HydrophobicContact CB-CE1 3.71Å; C30-Y73 PolarHBondContact O-OH 2.93Å; P32-Y73 HydrophobicContact CB-CE2 3.65Å; P32-Y73 WeakPolarHBondContact CB-OH 3.07Å; P32-Y73 WeakPolarHBondContact CD-OH 3.38Å; P32-Y73 HydrophobicContact CG-CE2 4.13Å; P32-Y73 WeakPolarHBondContact CG-OH 3.32Å; M55-Y73 HydrophobicContact SD-CD2 4.42Å; H70-Y73 HydrophobicContact CB-CD1 4.36Å; H70-Y73 HydrophobicContact CB-CD2 4.05Å; H70-Y73 HydrophobicContact CB-CE1 4.17Å; H70-Y73 HydrophobicContact CB-CE2 3.88Å; H70-Y73 HydrophobicContact CB-CG 4.27Å; H70-Y73 WeakPolarHBondContact O-CB 3.14Å; H70-Y73 PolarHBondContact O-N 2.82Å; E71-Y73 PolarHBondContact O-N 2.82Å; Y73-T75 PolarHBondContact O-N 2.82Å; Y73-A76 HydrophobicContact CD1-CB 4.47Å; Y73-F77 HydrophobicContact CD1-CD2 4.43Å; Y73-F77 AromaticContact CD1-CE2 3.72Å; Y73-F77 HydrophobicContact CD1-CE2 3.72Å; Y73-F77 HydrophobicContact CD1-CZ 4.39Å; Y73-F77 HydrophobicContact CD2-CE2 4.14Å; Y73-F77 HydrophobicContact CE1-CE2 4.33Å; Y73-F77 HydrophobicContact CG-CD2 4.1Å; Y73-F77 AromaticContact CG-CE2 3.65Å; Y73-F77 HydrophobicContact CG-CE2 3.65Å; Y73-F77 PolarHBondContact O-N 2.92Å |
| 74 | L | 94.2 | Very high | 94.7 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.8 | -21.4 | 168.7 | -66.8 | 172 | 0 | 0 | 0 | 112.7 | L68 E71 G72 V81 V104 V107 V134 L158 A160 | L68-L74 HydrophobicContact CD1-CD2 3.72Å; L68-L74 HydrophobicContact CD1-CG 4.15Å; E71-L74 VanDerWaalsContact O-CB 3.26Å; E71-L74 WeakPolarHBondContact O-CB 3.1Å; E71-L74 WeakPolarHBondContact O-CG 3.29Å; E71-L74 PolarHBondContact O-N 2.86Å; G72-L74 PolarHBondContact O-N 2.85Å; L74-V81 HydrophobicContact CD2-CG2 4.38Å; L74-V104 HydrophobicContact CD1-CB 3.92Å; L74-V104 HydrophobicContact CD1-CG1 3.57Å; L74-V107 HydrophobicContact CB-CG2 3.73Å; L74-V107 HydrophobicContact CD1-CG2 3.98Å; L74-V107 HydrophobicContact CD2-CG2 4.2Å; L74-V107 HydrophobicContact CG-CG2 4.2Å; L74-V134 HydrophobicContact CD2-CG1 4.35Å; L74-L158 HydrophobicContact CD2-CD1 4.47Å; L74-L158 HydrophobicContact CD2-CD2 3.71Å; L74-L158 HydrophobicContact CD2-CG 3.98Å; L74-A160 HydrophobicContact CD1-CB 3.77Å; L74-A160 HydrophobicContact CD2-CB 4.18Å; L74-A160 HydrophobicContact CG-CB 3.78Å |
| 75 | T | 91.8 | Very high | 94.7 | Very high | 61 Ų | 61 | 23.4 Ų | 23.4 | 37% | 0.374 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -108.5 | -35.2 | 177.8 | 63.8 | 0 | 0 | 0 | 0 | 113 | G72 Y73 F77 V106 | G72-T75 PolarHBondContact O-N 3.4Å; G72-T75 PolarHBondContact O-OG1 3.2Å; Y73-T75 PolarHBondContact O-N 2.82Å; T75-F77 VanDerWaalsContact C-N 3.3Å; T75-F77 PolarHBondContact O-N 2.66Å; T75-V106 HydrophobicContact CG2-CB 4.14Å; T75-V106 HydrophobicContact CG2-CG1 3.39Å; T75-V106 HydrophobicContact CG2-CG2 3.61Å |
| 76 | A | 91.7 | Very high | 94.4 | Very high | 57 Ų | 57 | 26.9 Ų | 26.9 | 47% | 0.471 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -67.8 | -29.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G72 Y73 P78 | G72-A76 PolarHBondContact O-N 2.88Å; G72-A76 VanDerWaalsContact O-N 3.07Å; Y73-A76 HydrophobicContact CD1-CB 4.47Å; A76-P78 VanDerWaalsContact C-CD 3.46Å; A76-P78 WeakPolarHBondContact O-CD 2.92Å |
| 77 | F | 93.4 | Very high | 94.2 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 9% | 0.088 | 17% | 0.165 | C | C | . | . | trans | -123.6 | 64.2 | -174.4 | -49.3 | -51.2 | 0 | 0 | 0 | 112.8 | L24 F26 M55 Y73 T75 A79 L80 V81 | L24-F77 HydrophobicContact CB-CE1 4.35Å; L24-F77 HydrophobicContact CB-CZ 4.41Å; L24-F77 HydrophobicContact CD2-CB 4.34Å; L24-F77 HydrophobicContact CD2-CD1 3.67Å; L24-F77 HydrophobicContact CD2-CD2 4.12Å; L24-F77 HydrophobicContact CD2-CE1 3.95Å; L24-F77 HydrophobicContact CD2-CE2 4.37Å; L24-F77 HydrophobicContact CD2-CG 3.77Å; L24-F77 HydrophobicContact CD2-CZ 4.29Å; F26-F77 HydrophobicContact CD1-CE2 4.07Å; F26-F77 AromaticContact CD1-CZ 3.96Å; F26-F77 HydrophobicContact CD1-CZ 3.96Å; F26-F77 AromaticContact CE1-CE2 3.56Å; F26-F77 HydrophobicContact CE1-CE2 3.56Å; F26-F77 AromaticContact CE1-CZ 3.8Å; F26-F77 HydrophobicContact CE1-CZ 3.8Å; F26-F77 HydrophobicContact CZ-CE2 4.13Å; F26-F77 HydrophobicContact CZ-CZ 4.22Å; M55-F77 HydrophobicContact SD-CD2 4.16Å; M55-F77 HydrophobicContact SD-CE2 4.35Å; Y73-F77 HydrophobicContact CD1-CD2 4.43Å; Y73-F77 AromaticContact CD1-CE2 3.72Å; Y73-F77 HydrophobicContact CD1-CE2 3.72Å; Y73-F77 HydrophobicContact CD1-CZ 4.39Å; Y73-F77 HydrophobicContact CD2-CE2 4.14Å; Y73-F77 HydrophobicContact CE1-CE2 4.33Å; Y73-F77 HydrophobicContact CG-CD2 4.1Å; Y73-F77 AromaticContact CG-CE2 3.65Å; Y73-F77 HydrophobicContact CG-CE2 3.65Å; Y73-F77 PolarHBondContact O-N 2.92Å; T75-F77 VanDerWaalsContact C-N 3.3Å; T75-F77 PolarHBondContact O-N 2.66Å; F77-A79 VanDerWaalsContact C-N 3.32Å; F77-A79 PolarHBondContact O-N 2.96Å; F77-L80 HydrophobicContact CB-CB 3.9Å; F77-L80 HydrophobicContact CB-CD2 4.26Å; F77-L80 WeakPolarHBondContact O-CB 3.32Å; F77-L80 PolarHBondContact O-N 3.07Å; F77-L80 VanDerWaalsContact O-N 3.1Å; F77-V81 WeakPolarHBondContact O-CG2 3.41Å; F77-V81 PolarHBondContact O-N 3.38Å | ||
| 78 | P | 91.2 | Very high | 94 | Very high | 76 Ų | 76 | 27.8 Ų | 27.8 | 49% | 0.494 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.2 | -36.7 | -172.7 | 24.3 | -34 | 0 | 0 | 0 | 113.4 | A76 V81 E82 | A76-P78 VanDerWaalsContact C-CD 3.46Å; A76-P78 WeakPolarHBondContact O-CD 2.92Å; P78-V81 PolarHBondContact O-N 2.84Å; P78-E82 PolarHBondContact O-N 3.36Å |
| 79 | A | 92.3 | Very high | 93.6 | Very high | 50 Ų | 50 | 30.3 Ų | 30.3 | 41% | 0.413 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V21 F77 N83 | V21-A79 HydrophobicContact CG2-CB 4.41Å; F77-A79 VanDerWaalsContact C-N 3.32Å; F77-A79 PolarHBondContact O-N 2.96Å; A79-N83 PolarHBondContact O-N 3.32Å; A79-N83 PolarHBondContact O-ND2 2.82Å |
| 80 | L | 95.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.5 | -42.7 | 175.5 | 178.8 | 68.9 | 0 | 0 | 0 | 110.8 | L17 M18 V21 L24 M55 F77 N83 A84 | L17-L80 WeakPolarHBondContact O-CD1 3.07Å; M18-L80 HydrophobicContact SD-CD1 3.73Å; V21-L80 HydrophobicContact CG2-CB 4.38Å; L24-L80 HydrophobicContact CD2-CD2 4.34Å; M55-L80 HydrophobicContact CE-CD2 3.45Å; M55-L80 VanDerWaalsContact CE-CD2 3.45Å; M55-L80 HydrophobicContact SD-CD2 3.48Å; M55-L80 WeakPolarHBondContact SD-CD2 3.45Å; F77-L80 HydrophobicContact CB-CB 3.9Å; F77-L80 HydrophobicContact CB-CD2 4.26Å; F77-L80 WeakPolarHBondContact O-CB 3.32Å; F77-L80 PolarHBondContact O-N 3.07Å; F77-L80 VanDerWaalsContact O-N 3.1Å; L80-N83 PolarHBondContact O-N 2.81Å; L80-A84 WeakPolarHBondContact O-CB 3.42Å; L80-A84 PolarHBondContact O-N 2.7Å |
| 81 | V | 94.9 | Very high | 92.3 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | L74 F77 P78 N83 A84 L85 V107 L158 | L74-V81 HydrophobicContact CD2-CG2 4.38Å; F77-V81 WeakPolarHBondContact O-CG2 3.41Å; F77-V81 PolarHBondContact O-N 3.38Å; P78-V81 PolarHBondContact O-N 2.84Å; V81-N83 PolarHBondContact O-N 2.53Å; V81-A84 WeakPolarHBondContact O-CB 3.15Å; V81-A84 PolarHBondContact O-N 2.85Å; V81-L85 HydrophobicContact CG1-CD1 4.4Å; V81-L85 WeakPolarHBondContact O-CG 3.19Å; V81-L85 PolarHBondContact O-N 3.3Å; V81-V107 HydrophobicContact CG1-CG1 4.4Å; V81-L158 HydrophobicContact CG1-CD2 4.1Å |
| 82 | E | 92.7 | Very high | 91 | Very high | 80 Ų | 80 | 37.5 Ų | 37.5 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 176.2 | -173.9 | 171.6 | -164.6 | 0 | 0 | 111.8 | P78 A84 L85 I86 | P78-E82 PolarHBondContact O-N 3.36Å; E82-A84 VanDerWaalsContact C-N 3.3Å; E82-A84 PolarHBondContact O-N 3.05Å; E82-L85 PolarHBondContact O-N 2.88Å; E82-I86 HydrophobicContact CG-CD1 4.31Å; E82-I86 WeakPolarHBondContact O-CG1 3.33Å; E82-I86 PolarHBondContact O-N 2.98Å |
| 83 | N | 94.5 | Very high | 90.2 | Very high | 21 Ų | 21 | 38.6 Ų | 38.6 | 11% | 0.112 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -38.6 | 174.4 | -69 | -21.6 | 0 | 0 | 0 | 112.4 | L17 K19 A79 L80 V81 I86 W87 | L17-N83 WeakPolarHBondContact O-CB 3.35Å; L17-N83 PolarHBondContact O-ND2 2.94Å; K19-N83 PolarHBondContact N-ND2 3.08Å; K19-N83 PolarHBondContact O-ND2 3.17Å; A79-N83 PolarHBondContact O-N 3.32Å; A79-N83 PolarHBondContact O-ND2 2.82Å; L80-N83 PolarHBondContact O-N 2.81Å; V81-N83 PolarHBondContact O-N 2.53Å; N83-I86 PolarHBondContact O-N 3.26Å; N83-W87 WeakPolarHBondContact O-CB 3.26Å; N83-W87 PolarHBondContact O-N 3.34Å |
| 84 | A | 95.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | L17 V66 L80 V81 E82 I86 W87 L88 | L17-A84 HydrophobicContact CD2-CB 4.08Å; V66-A84 HydrophobicContact CB-CB 4.38Å; V66-A84 HydrophobicContact CG1-CB 4.23Å; V66-A84 HydrophobicContact CG2-CB 4.1Å; L80-A84 WeakPolarHBondContact O-CB 3.42Å; L80-A84 PolarHBondContact O-N 2.7Å; V81-A84 WeakPolarHBondContact O-CB 3.15Å; V81-A84 PolarHBondContact O-N 2.85Å; E82-A84 VanDerWaalsContact C-N 3.3Å; E82-A84 PolarHBondContact O-N 3.05Å; A84-I86 VanDerWaalsContact C-N 3.31Å; A84-I86 PolarHBondContact O-N 3.28Å; A84-W87 PolarHBondContact O-N 3.43Å; A84-W87 VanDerWaalsContact O-N 3.15Å; A84-L88 WeakPolarHBondContact O-CB 3.37Å; A84-L88 WeakPolarHBondContact O-CG 3.07Å; A84-L88 PolarHBondContact O-N 2.97Å |
| 85 | L | 94.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -40.2 | 176.4 | -62.4 | 173.2 | 0 | 0 | 0 | 112 | V81 E82 W87 L88 R89 V98 L111 F116 V132 V134 L158 | V81-L85 HydrophobicContact CG1-CD1 4.4Å; V81-L85 WeakPolarHBondContact O-CG 3.19Å; V81-L85 PolarHBondContact O-N 3.3Å; E82-L85 PolarHBondContact O-N 2.88Å; L85-W87 VanDerWaalsContact C-N 3.33Å; L85-W87 PolarHBondContact O-N 3.36Å; L85-L88 PolarHBondContact O-N 3.46Å; L85-R89 PolarHBondContact O-N 3.41Å; L85-V98 HydrophobicContact CD2-CG1 3.99Å; L85-V98 HydrophobicContact CD2-CG2 4.38Å; L85-L111 HydrophobicContact CD1-CD1 3.58Å; L85-L111 HydrophobicContact CD1-CD2 3.56Å; L85-L111 HydrophobicContact CD1-CG 4.18Å; L85-F116 HydrophobicContact CB-CD2 4.25Å; L85-F116 HydrophobicContact CB-CE1 4.08Å; L85-F116 HydrophobicContact CB-CE2 3.67Å; L85-F116 HydrophobicContact CB-CZ 3.58Å; L85-F116 HydrophobicContact CD1-CD2 4.17Å; L85-F116 HydrophobicContact CD1-CE2 4.35Å; L85-V132 HydrophobicContact CD2-CB 4.34Å; L85-V132 HydrophobicContact CD2-CG1 3.67Å; L85-V134 HydrophobicContact CD2-CG2 3.8Å; L85-L158 HydrophobicContact CD2-CD2 4.37Å |
| 86 | I | 92.3 | Very high | 88.3 | Confident | 74 Ų | 74 | 45.5 Ų | 45.5 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 175.5 | -67.1 | 166.8 | 0 | 0 | 0 | 111.2 | E82 N83 A84 R89 F116 | E82-I86 HydrophobicContact CG-CD1 4.31Å; E82-I86 WeakPolarHBondContact O-CG1 3.33Å; E82-I86 PolarHBondContact O-N 2.98Å; N83-I86 PolarHBondContact O-N 3.26Å; A84-I86 VanDerWaalsContact C-N 3.31Å; A84-I86 PolarHBondContact O-N 3.28Å; I86-R89 VanDerWaalsContact O-CD 3.26Å; I86-R89 WeakPolarHBondContact O-CD 3.48Å; I86-R89 WeakPolarHBondContact O-CG 3.37Å; I86-F116 HydrophobicContact CB-CZ 4.46Å; I86-F116 HydrophobicContact CG1-CE2 3.88Å; I86-F116 HydrophobicContact CG1-CZ 3.71Å |
| 87 | W | 93.8 | Very high | 88.1 | Confident | 17 Ų | 17 | 44.4 Ų | 44.4 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.1 | -41.1 | 179.6 | -177.2 | 72.3 | 0 | 0 | 0 | 111.9 | A13 L17 F43 A57 L59 R64 V66 N83 A84 L85 R89 G90 | A13-W87 HydrophobicContact CB-CZ2 3.89Å; L17-W87 HydrophobicContact CD1-CD2 4.13Å; L17-W87 HydrophobicContact CD1-CE3 4.07Å; L17-W87 HydrophobicContact CD1-CZ3 4.38Å; L17-W87 HydrophobicContact CD2-CB 3.75Å; L17-W87 HydrophobicContact CD2-CD2 4.1Å; L17-W87 HydrophobicContact CD2-CE3 3.97Å; L17-W87 HydrophobicContact CD2-CG 4.04Å; L17-W87 HydrophobicContact CG-CB 4.31Å; L17-W87 HydrophobicContact CG-CD2 4.24Å; L17-W87 HydrophobicContact CG-CE3 4.4Å; L17-W87 HydrophobicContact CG-CG 4.2Å; F43-W87 HydrophobicContact CZ-CZ2 4.46Å; A57-W87 HydrophobicContact CB-CH2 4.03Å; A57-W87 HydrophobicContact CB-CZ3 3.93Å; L59-W87 HydrophobicContact CD2-CH2 4.02Å; L59-W87 HydrophobicContact CD2-CZ2 3.96Å; R64-W87 HydrophobicContact CB-CE3 4.19Å; R64-W87 HydrophobicContact CB-CH2 3.98Å; R64-W87 HydrophobicContact CB-CZ3 3.78Å; R64-W87 WeakPolarHBondContact CD-O 3.49Å; R64-W87 HydrophobicContact CG-CH2 4.27Å; R64-W87 HydrophobicContact CG-CZ2 4.38Å; R64-W87 HydrophobicContact CG-CZ3 4.44Å; R64-W87 PolarHBondContact NH1-O 2.93Å; V66-W87 HydrophobicContact CG2-CE3 3.78Å; V66-W87 HydrophobicContact CG2-CZ3 3.78Å; N83-W87 WeakPolarHBondContact O-CB 3.26Å; N83-W87 PolarHBondContact O-N 3.34Å; A84-W87 PolarHBondContact O-N 3.43Å; A84-W87 VanDerWaalsContact O-N 3.15Å; L85-W87 VanDerWaalsContact C-N 3.33Å; L85-W87 PolarHBondContact O-N 3.36Å; W87-R89 VanDerWaalsContact C-N 3.33Å; W87-R89 PolarHBondContact O-N 2.77Å; W87-G90 PolarHBondContact O-N 2.87Å |
| 88 | L | 94.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.9 | -29 | -175.9 | -76.4 | 172.8 | 0 | 0 | 0 | 113.8 | R64 V66 A84 L85 G90 V132 G156 V157 L158 | R64-L88 VanDerWaalsContact C-CD2 3.45Å; R64-L88 HydrophobicContact CB-CD2 3.7Å; R64-L88 VanDerWaalsContact O-CD2 3.26Å; R64-L88 WeakPolarHBondContact O-CD2 3.39Å; V66-L88 HydrophobicContact CB-CD1 4.34Å; V66-L88 HydrophobicContact CG2-CD1 4.25Å; V66-L88 HydrophobicContact CG2-CD2 4.02Å; V66-L88 HydrophobicContact CG2-CG 4.1Å; A84-L88 WeakPolarHBondContact O-CB 3.37Å; A84-L88 WeakPolarHBondContact O-CG 3.07Å; A84-L88 PolarHBondContact O-N 2.97Å; L85-L88 PolarHBondContact O-N 3.46Å; L88-G90 PolarHBondContact O-N 2.9Å; L88-G90 VanDerWaalsContact O-N 3.11Å; L88-V132 HydrophobicContact CB-CG1 3.94Å; L88-V132 HydrophobicContact CB-CG2 3.81Å; L88-V132 HydrophobicContact CD1-CG1 3.82Å; L88-G156 WeakPolarHBondContact O-CA 3.4Å; L88-V157 WeakPolarHBondContact CD2-O 3.35Å; L88-L158 HydrophobicContact CD1-CB 3.69Å |
| 89 | R | 89.7 | Confident | 88.1 | Confident | 56 Ų | 56 | 40.8 Ų | 40.8 | 21% | 0.211 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.6 | 177.7 | 78.3 | -164.3 | -62.9 | -163.1 | 4.3 | 114.5 | L85 I86 W87 S93 N94 D95 V132 | L85-R89 PolarHBondContact O-N 3.41Å; I86-R89 VanDerWaalsContact O-CD 3.26Å; I86-R89 WeakPolarHBondContact O-CD 3.48Å; I86-R89 WeakPolarHBondContact O-CG 3.37Å; W87-R89 VanDerWaalsContact C-N 3.33Å; W87-R89 PolarHBondContact O-N 2.77Å; R89-S93 PolarHBondContact NE-O 3.17Å; R89-S93 PolarHBondContact NH2-O 2.95Å; R89-S93 WeakPolarHBondContact O-CB 3.46Å; R89-S93 PolarHBondContact O-OG 2.96Å; R89-N94 PolarHBondContact NH2-O 3.11Å; R89-N94 VanDerWaalsContact NH2-O 3.09Å; R89-D95 PolarHBondContact NE-O 3.48Å; R89-D95 PolarHBondContact NH2-O 3.39Å; R89-V132 HydrophobicContact CB-CG2 4.2Å |
| 90 | G | 84.8 | Confident | 88.1 | Confident | 21 Ų | 21 | 38.4 Ų | 38.4 | 22% | 0.216 | 23% | 0.227 | C | C | . | . | trans | 86.6 | 158.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | W87 L88 G92 S93 | W87-G90 PolarHBondContact O-N 2.87Å; L88-G90 PolarHBondContact O-N 2.9Å; L88-G90 VanDerWaalsContact O-N 3.11Å; G90-G92 PolarHBondContact O-N 3.37Å; G90-S93 PolarHBondContact O-N 3.25Å | ||
| 91 | D | 77.9 | Confident | 88.1 | Confident | 137 Ų | 137 | 39.3 Ų | 39.3 | 73% | 0.733 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 130.5 | -176.3 | -58.8 | -23.9 | 0 | 0 | 0 | 111.1 | R64 S93 | R64-D91 IonicContact CZ-OD1 3.89Å; R64-D91 IonicContact CZ-OD2 3.02Å; R64-D91 IonicContact NH1-OD1 2.7Å; R64-D91 PolarHBondContact NH1-OD1 2.81Å; R64-D91 IonicContact NH2-OD1 2.68Å; R64-D91 PolarHBondContact NH2-OD1 3.11Å; R64-D91 IonicContact NH2-OD2 2.64Å; R64-D91 PolarHBondContact NH2-OD2 3.31Å; D91-S93 PolarHBondContact O-N 3.22Å |
| 92 | G | 69.1 | Low | 87.9 | Confident | 80 Ų | 80 | 43.5 Ų | 43.5 | 83% | 0.825 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -0.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | G90 | G90-G92 PolarHBondContact O-N 3.37Š|
| 93 | S | 76.6 | Confident | 87.8 | Confident | 39 Ų | 39 | 42.3 Ų | 42.3 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | trans | -73.6 | 128.8 | 172.5 | 179 | 0 | 0 | 0 | 0 | 110.7 | R89 G90 D91 D95 | R89-S93 PolarHBondContact NE-O 3.17Å; R89-S93 PolarHBondContact NH2-O 2.95Å; R89-S93 WeakPolarHBondContact O-CB 3.46Å; R89-S93 PolarHBondContact O-OG 2.96Å; G90-S93 PolarHBondContact O-N 3.25Å; D91-S93 PolarHBondContact O-N 3.22Å; S93-D95 PolarHBondContact OG-N 3.04Å | ||
| 94 | N | 74.8 | Confident | 87.8 | Confident | 144 Ų | 144 | 41.6 Ų | 41.6 | 77% | 0.77 | 25% | 0.251 | S | S | * | . | trans | -102.3 | 6.2 | 171.8 | -76.5 | -29.3 | 0 | 0 | 0 | 112.8 | R89 P96 | R89-N94 PolarHBondContact NH2-O 3.11Å; R89-N94 VanDerWaalsContact NH2-O 3.09Å; N94-P96 VanDerWaalsContact O-CD 3.27Å; N94-P96 WeakPolarHBondContact O-CD 3.26Å | ||
| 95 | D | 82 | Confident | 87.6 | Confident | 37 Ų | 37 | 48.1 Ų | 48.1 | 20% | 0.198 | 28% | 0.275 | C | S | . | . | trans | -64.4 | 117.5 | 176.7 | -169.4 | -9.8 | 0 | 0 | 0 | 109.8 | R89 S93 S97 T130 | R89-D95 PolarHBondContact NE-O 3.48Å; R89-D95 PolarHBondContact NH2-O 3.39Å; S93-D95 PolarHBondContact OG-N 3.04Å; D95-S97 VanDerWaalsContact C-N 3.31Å; D95-S97 WeakPolarHBondContact OD1-CB 3.45Å; D95-S97 PolarHBondContact OD1-N 3.03Å; D95-S97 PolarHBondContact OD1-OG 2.84Å; D95-T130 WeakPolarHBondContact OD2-CB 3.37Å; D95-T130 PolarHBondContact OD2-OG1 3.28Å | ||
| 96 | P | 82.8 | Confident | 87.3 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 21% | 0.214 | 29% | 0.293 | C | S | . | . | trans | -87.4 | -0.8 | 178.7 | 36.8 | -34.9 | 0 | 0 | 0 | 112.5 | N94 V98 F116 Q117 | N94-P96 VanDerWaalsContact O-CD 3.27Å; N94-P96 WeakPolarHBondContact O-CD 3.26Å; P96-V98 PolarHBondContact O-N 2.82Å; P96-F116 WeakPolarHBondContact O-CA 3.44Å; P96-Q117 HydrophobicContact CB-CB 4.44Å; P96-Q117 HydrophobicContact CB-CG 4.14Å; P96-Q117 HydrophobicContact CG-CB 4.4Å; P96-Q117 HydrophobicContact CG-CG 4.01Å; P96-Q117 PolarHBondContact O-N 2.86Å | ||
| 97 | S | 88.8 | Confident | 87.1 | Confident | 34 Ų | 34 | 47.7 Ų | 47.7 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122.6 | -170.4 | -48.8 | 0 | 0 | 0 | 0 | 112 | D95 V132 | D95-S97 VanDerWaalsContact C-N 3.31Å; D95-S97 WeakPolarHBondContact OD1-CB 3.45Å; D95-S97 PolarHBondContact OD1-N 3.03Å; D95-S97 PolarHBondContact OD1-OG 2.84Å; S97-V132 PolarHBondContact O-N 3.03Å |
| 98 | V | 91.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 117.7 | 174.5 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | L85 P96 V100 L111 F116 Q117 A118 Q119 V132 V134 | L85-V98 HydrophobicContact CD2-CG1 3.99Å; L85-V98 HydrophobicContact CD2-CG2 4.38Å; P96-V98 PolarHBondContact O-N 2.82Å; V98-V100 HydrophobicContact CG1-CG2 3.95Å; V98-L111 HydrophobicContact CG1-CD1 4.38Å; V98-F116 HydrophobicContact CG2-CB 3.81Å; V98-F116 HydrophobicContact CG2-CD1 3.49Å; V98-F116 VanDerWaalsContact CG2-CD1 3.49Å; V98-F116 HydrophobicContact CG2-CE1 4.3Å; V98-F116 HydrophobicContact CG2-CG 3.84Å; V98-Q117 PolarHBondContact N-O 2.92Å; V98-A118 CarbonylContact O-C 3.53Å; V98-A118 VanDerWaalsContact O-CA 3.27Å; V98-A118 WeakPolarHBondContact O-CA 3.48Å; V98-Q119 PolarHBondContact O-N 2.78Å; V98-V132 CarbonylContact C-O 3.59Å; V98-V132 WeakPolarHBondContact CA-O 3.39Å; V98-V132 HydrophobicContact CG2-CB 4.44Å; V98-V134 HydrophobicContact CG1-CG2 3.63Å |
| 99 | F | 92.2 | Very high | 86.3 | Confident | 20 Ų | 20 | 52 Ų | 52 | 9% | 0.088 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 115.1 | 178.9 | -58 | -77.5 | 0 | 0 | 0 | 108.7 | Q119 V121 L128 V132 Y133 V134 | F99-Q119 WeakPolarHBondContact CA-O 3.3Å; F99-Q119 HydrophobicContact CD1-CB 4.26Å; F99-V121 HydrophobicContact CB-CG2 4.37Å; F99-V121 HydrophobicContact CD1-CG1 4.23Å; F99-L128 HydrophobicContact CB-CD1 4.3Å; F99-L128 HydrophobicContact CD1-CD1 4.03Å; F99-L128 HydrophobicContact CD1-CD2 4.09Å; F99-L128 HydrophobicContact CD2-CD1 3.89Å; F99-L128 HydrophobicContact CD2-CD2 4.3Å; F99-L128 HydrophobicContact CE1-CD1 4.37Å; F99-L128 HydrophobicContact CE1-CD2 3.58Å; F99-L128 HydrophobicContact CE2-CD1 4.23Å; F99-L128 HydrophobicContact CE2-CD2 3.82Å; F99-L128 HydrophobicContact CE2-CG 4.41Å; F99-L128 HydrophobicContact CG-CD1 3.78Å; F99-L128 HydrophobicContact CG-CD2 4.43Å; F99-L128 HydrophobicContact CZ-CD1 4.48Å; F99-L128 HydrophobicContact CZ-CD2 3.45Å; F99-L128 VanDerWaalsContact CZ-CD2 3.45Å; F99-L128 HydrophobicContact CZ-CG 4.46Å; F99-V132 PolarHBondContact N-O 2.99Å; F99-Y133 HydrophobicContact CB-CD2 3.9Å; F99-Y133 CarbonylContact O-C 3.55Å; F99-Y133 WeakPolarHBondContact O-CA 3.3Å; F99-Y133 WeakPolarHBondContact O-CD2 3.36Å; F99-V134 PolarHBondContact O-N 2.82Å |
| 100 | V | 92.8 | Very high | 86 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 119.6 | -173.6 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | V98 V104 V107 A118 Q119 V120 V121 V134 | V98-V100 HydrophobicContact CG1-CG2 3.95Å; V100-V104 HydrophobicContact CG1-CG2 3.94Å; V100-V104 VanDerWaalsContact CG1-O 3.31Å; V100-V104 WeakPolarHBondContact CG1-O 3.1Å; V100-V107 HydrophobicContact CG1-CB 4.15Å; V100-A118 HydrophobicContact CG2-CB 4.27Å; V100-Q119 PolarHBondContact N-O 3.43Å; V100-V120 CarbonylContact O-C 3.59Å; V100-V120 VanDerWaalsContact O-CA 3.27Å; V100-V120 WeakPolarHBondContact O-CA 3.47Å; V100-V121 PolarHBondContact O-N 2.85Å; V100-V134 HydrophobicContact CG2-CB 4.38Å; V100-V134 HydrophobicContact CG2-CG2 4.49Å |
| 101 | H | 93.8 | Very high | 86 | Confident | 23 Ų | 23 | 53 Ų | 53 | 11% | 0.106 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 144.2 | 174.8 | -171.7 | -99.9 | 0 | 0 | 0 | 111.1 | S103 V104 R105 V121 G122 Y133 V134 S139 | H101-S103 WeakPolarHBondContact ND1-CB 3.28Å; H101-S103 PolarHBondContact ND1-N 3.21Å; H101-S103 PolarHBondContact ND1-OG 3.32Å; H101-S103 PolarHBondContact O-N 3Å; H101-S103 VanDerWaalsContact O-N 3.07Å; H101-V104 HydrophobicContact CB-CG2 4.23Å; H101-V104 CarbonylContact O-C 3.51Å; H101-V104 WeakPolarHBondContact O-CG2 3.32Å; H101-V104 PolarHBondContact O-N 2.87Å; H101-R105 PolarHBondContact O-N 3.38Å; H101-V121 CarbonylContact C-O 2.92Å; H101-G122 PolarHBondContact NE2-O 2.83Å; H101-Y133 PolarHBondContact CD2-OH 3.44Å; H101-V134 PolarHBondContact N-O 2.94Å; H101-S139 WeakPolarHBondContact CE1-CB 3.44Å; H101-S139 PolarHBondContact CE1-OG 2.91Å; H101-S139 VanDerWaalsContact CE1-OG 3.26Å; H101-S139 WeakPolarHBondContact ND1-CB 3.38Å; H101-S139 PolarHBondContact ND1-OG 3.29Å |
| 102 | N | 91.3 | Very high | 85.8 | Confident | 95 Ų | 95 | 51 Ų | 51 | 51% | 0.508 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -56.7 | -29.4 | -175.5 | -174 | 55.6 | 0 | 0 | 0 | 113.7 | V104 R105 V120 V121 | N102-V104 VanDerWaalsContact C-N 3.25Å; N102-V104 PolarHBondContact O-N 2.91Å; N102-R105 WeakPolarHBondContact O-CB 3.27Å; N102-R105 PolarHBondContact O-N 2.98Å; N102-V120 HydrophobicContact CB-CG1 4.34Å; N102-V121 PolarHBondContact N-O 3.4Å |
| 103 | S | 91.4 | Very high | 85.7 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 39% | 0.392 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -67.7 | -23.1 | 177.9 | 67.4 | 0 | 0 | 0 | 0 | 114.1 | H101 D136 S139 | H101-S103 WeakPolarHBondContact ND1-CB 3.28Å; H101-S103 PolarHBondContact ND1-N 3.21Å; H101-S103 PolarHBondContact ND1-OG 3.32Å; H101-S103 PolarHBondContact O-N 3Å; H101-S103 VanDerWaalsContact O-N 3.07Å; S103-D136 WeakPolarHBondContact CB-OD2 3.4Å; S103-D136 PolarHBondContact OG-OD2 2.81Å; S103-S139 PolarHBondContact OG-OG 2.95Å |
| 104 | V | 92.8 | Very high | 85.8 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -117 | 29.4 | 177.4 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | L74 V100 H101 N102 V106 V107 V134 D136 | L74-V104 HydrophobicContact CD1-CB 3.92Å; L74-V104 HydrophobicContact CD1-CG1 3.57Å; V100-V104 HydrophobicContact CG1-CG2 3.94Å; V100-V104 VanDerWaalsContact CG1-O 3.31Å; V100-V104 WeakPolarHBondContact CG1-O 3.1Å; H101-V104 HydrophobicContact CB-CG2 4.23Å; H101-V104 CarbonylContact O-C 3.51Å; H101-V104 WeakPolarHBondContact O-CG2 3.32Å; H101-V104 PolarHBondContact O-N 2.87Å; N102-V104 VanDerWaalsContact C-N 3.25Å; N102-V104 PolarHBondContact O-N 2.91Å; V104-V106 PolarHBondContact O-N 2.84Å; V104-V107 HydrophobicContact CB-CG2 4.47Å; V104-V107 WeakPolarHBondContact O-CB 3.47Å; V104-V107 PolarHBondContact O-N 3.19Å; V104-V134 HydrophobicContact CG2-CG1 4.24Å; V104-D136 HydrophobicContact CG1-CB 3.89Å |
| 105 | R | 92.1 | Very high | 86.1 | Confident | 137 Ų | 137 | 55 Ų | 55 | 52% | 0.517 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -29.9 | -178.9 | 175.5 | 173.5 | 176.2 | -179.4 | 1.3 | 114.1 | H101 N102 V107 S108 D109 V120 | H101-R105 PolarHBondContact O-N 3.38Å; N102-R105 WeakPolarHBondContact O-CB 3.27Å; N102-R105 PolarHBondContact O-N 2.98Å; R105-V107 PolarHBondContact O-N 3.41Å; R105-V107 VanDerWaalsContact O-N 3.1Å; R105-S108 WeakPolarHBondContact O-CA 3.22Å; R105-S108 VanDerWaalsContact O-CB 3.24Å; R105-S108 WeakPolarHBondContact O-CB 3.43Å; R105-S108 PolarHBondContact O-N 3.26Å; R105-D109 PolarHBondContact O-N 3.43Å; R105-V120 HydrophobicContact CG-CG1 4.41Å; R105-V120 HydrophobicContact CG-CG2 4.05Å |
| 106 | V | 87.1 | Confident | 86.3 | Confident | 64 Ų | 64 | 53.8 Ų | 53.8 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -54.9 | -28.3 | 177 | 70 | 0 | 0 | 0 | 0 | 113.3 | T75 V104 S108 D109 N110 | T75-V106 HydrophobicContact CG2-CB 4.14Å; T75-V106 HydrophobicContact CG2-CG1 3.39Å; T75-V106 HydrophobicContact CG2-CG2 3.61Å; V104-V106 PolarHBondContact O-N 2.84Å; V106-S108 VanDerWaalsContact C-N 3.35Å; V106-D109 PolarHBondContact O-N 2.73Å; V106-N110 PolarHBondContact O-N 2.95Å; V106-N110 VanDerWaalsContact O-N 3.11Å |
| 107 | V | 88.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | L74 V81 V100 V104 R105 D109 N110 L111 V134 | L74-V107 HydrophobicContact CB-CG2 3.73Å; L74-V107 HydrophobicContact CD1-CG2 3.98Å; L74-V107 HydrophobicContact CD2-CG2 4.2Å; L74-V107 HydrophobicContact CG-CG2 4.2Å; V81-V107 HydrophobicContact CG1-CG1 4.4Å; V100-V107 HydrophobicContact CG1-CB 4.15Å; V104-V107 HydrophobicContact CB-CG2 4.47Å; V104-V107 WeakPolarHBondContact O-CB 3.47Å; V104-V107 PolarHBondContact O-N 3.19Å; R105-V107 PolarHBondContact O-N 3.41Å; R105-V107 VanDerWaalsContact O-N 3.1Å; V107-D109 VanDerWaalsContact C-N 3.29Å; V107-D109 PolarHBondContact O-N 3.23Å; V107-N110 PolarHBondContact O-N 2.78Å; V107-L111 HydrophobicContact CG1-CD1 3.83Å; V107-L111 HydrophobicContact CG1-CG 4.3Å; V107-L111 VanDerWaalsContact O-CG 3.26Å; V107-L111 WeakPolarHBondContact O-CG 3.37Å; V107-L111 PolarHBondContact O-N 3.05Å; V107-V134 HydrophobicContact CG1-CG1 4.34Å; V107-V134 HydrophobicContact CG2-CG1 4.28Å |
| 108 | S | 87.7 | Confident | 86.5 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 176.3 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | R105 V106 L111 S112 | R105-S108 WeakPolarHBondContact O-CA 3.22Å; R105-S108 VanDerWaalsContact O-CB 3.24Å; R105-S108 WeakPolarHBondContact O-CB 3.43Å; R105-S108 PolarHBondContact O-N 3.26Å; V106-S108 VanDerWaalsContact C-N 3.35Å; S108-L111 PolarHBondContact O-N 2.81Å; S108-S112 PolarHBondContact O-N 2.89Å |
| 109 | D | 84.4 | Confident | 86.4 | Confident | 87 Ų | 87 | 64 Ų | 64 | 47% | 0.465 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 179.5 | -61.2 | -27.1 | 0 | 0 | 0 | 111.1 | R105 V106 V107 S112 | R105-D109 PolarHBondContact O-N 3.43Å; V106-D109 PolarHBondContact O-N 2.73Å; V107-D109 VanDerWaalsContact C-N 3.29Å; V107-D109 PolarHBondContact O-N 3.23Å; D109-S112 VanDerWaalsContact O-CB 3.31Å; D109-S112 WeakPolarHBondContact O-CB 3.2Å; D109-S112 PolarHBondContact O-N 2.74Å; D109-S112 PolarHBondContact O-OG 3.14Å |
| 110 | N | 83.8 | Confident | 86.4 | Confident | 84 Ų | 84 | 65.7 Ų | 65.7 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.3 | -30 | 177 | -72.3 | -20 | 0 | 0 | 0 | 113.3 | V106 V107 S112 | V106-N110 PolarHBondContact O-N 2.95Å; V106-N110 VanDerWaalsContact O-N 3.11Å; V107-N110 PolarHBondContact O-N 2.78Å; N110-S112 VanDerWaalsContact C-N 3.28Å; N110-S112 PolarHBondContact O-N 2.88Å |
| 111 | L | 83.8 | Confident | 86.3 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.068 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -80.9 | -3.5 | 178.7 | -68.4 | 173 | 0 | 0 | 0 | 114 | L85 V98 V107 S108 K113 S114 F116 A118 | L85-L111 HydrophobicContact CD1-CD1 3.58Å; L85-L111 HydrophobicContact CD1-CD2 3.56Å; L85-L111 HydrophobicContact CD1-CG 4.18Å; V98-L111 HydrophobicContact CG1-CD1 4.38Å; V107-L111 HydrophobicContact CG1-CD1 3.83Å; V107-L111 HydrophobicContact CG1-CG 4.3Å; V107-L111 VanDerWaalsContact O-CG 3.26Å; V107-L111 WeakPolarHBondContact O-CG 3.37Å; V107-L111 PolarHBondContact O-N 3.05Å; S108-L111 PolarHBondContact O-N 2.81Å; L111-K113 PolarHBondContact O-N 2.98Å; L111-S114 WeakPolarHBondContact O-CB 3.49Å; L111-S114 PolarHBondContact O-N 3.25Å; L111-S114 PolarHBondContact O-OG 3.01Å; L111-F116 HydrophobicContact CD2-CD2 4.46Å; L111-A118 HydrophobicContact CB-CB 4.33Å; L111-A118 HydrophobicContact CD1-CB 4.12Å |
| 112 | S | 73.3 | Confident | 85.8 | Confident | 96 Ų | 96 | 69.2 Ų | 69.2 | 67% | 0.671 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -56.2 | -18.3 | -178.4 | 58.7 | 0 | 0 | 0 | 0 | 115.2 | S108 D109 N110 | S108-S112 PolarHBondContact O-N 2.89Å; D109-S112 VanDerWaalsContact O-CB 3.31Å; D109-S112 WeakPolarHBondContact O-CB 3.2Å; D109-S112 PolarHBondContact O-N 2.74Å; D109-S112 PolarHBondContact O-OG 3.14Å; N110-S112 VanDerWaalsContact C-N 3.28Å; N110-S112 PolarHBondContact O-N 2.88Å |
| 113 | K | 68.5 | Low | 85.6 | Confident | 203 Ų | 203 | 66.2 Ų | 66.2 | 88% | 0.883 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -110.8 | 3.1 | 176.3 | -63.1 | -179.7 | -178.7 | 174.3 | 0 | 114.2 | L111 | L111-K113 PolarHBondContact O-N 2.98Š|
| 114 | S | 77.8 | Confident | 85.4 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 22% | 0.217 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -89.6 | 174.8 | -178.3 | 77.7 | 0 | 0 | 0 | 0 | 111.9 | L111 F116 | L111-S114 WeakPolarHBondContact O-CB 3.49Å; L111-S114 PolarHBondContact O-N 3.25Å; L111-S114 PolarHBondContact O-OG 3.01Å; S114-F116 PolarHBondContact O-N 2.91Å; S114-F116 PolarHBondContact OG-N 3.11Å |
| 115 | T | 80.4 | Confident | 84.9 | Confident | 112 Ų | 112 | 67.7 Ų | 67.7 | 69% | 0.687 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -77.3 | -4.8 | 172.1 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 116 | F | 86.8 | Confident | 84.3 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 6% | 0.057 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -86.9 | 145.6 | -178.1 | -68.7 | -76.3 | 0 | 0 | 0 | 112.2 | L85 I86 P96 V98 L111 S114 | L85-F116 HydrophobicContact CB-CD2 4.25Å; L85-F116 HydrophobicContact CB-CE1 4.08Å; L85-F116 HydrophobicContact CB-CE2 3.67Å; L85-F116 HydrophobicContact CB-CZ 3.58Å; L85-F116 HydrophobicContact CD1-CD2 4.17Å; L85-F116 HydrophobicContact CD1-CE2 4.35Å; I86-F116 HydrophobicContact CB-CZ 4.46Å; I86-F116 HydrophobicContact CG1-CE2 3.88Å; I86-F116 HydrophobicContact CG1-CZ 3.71Å; P96-F116 WeakPolarHBondContact O-CA 3.44Å; V98-F116 HydrophobicContact CG2-CB 3.81Å; V98-F116 HydrophobicContact CG2-CD1 3.49Å; V98-F116 VanDerWaalsContact CG2-CD1 3.49Å; V98-F116 HydrophobicContact CG2-CE1 4.3Å; V98-F116 HydrophobicContact CG2-CG 3.84Å; L111-F116 HydrophobicContact CD2-CD2 4.46Å; S114-F116 PolarHBondContact O-N 2.91Å; S114-F116 PolarHBondContact OG-N 3.11Å |
| 117 | Q | 87.4 | Confident | 83.7 | Confident | 135 Ų | 135 | 67.5 Ų | 67.5 | 63% | 0.631 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 90.8 | 174 | -66.1 | -179.4 | 11.6 | 0 | 0 | 108.2 | P96 V98 | P96-Q117 HydrophobicContact CB-CB 4.44Å; P96-Q117 HydrophobicContact CB-CG 4.14Å; P96-Q117 HydrophobicContact CG-CB 4.4Å; P96-Q117 HydrophobicContact CG-CG 4.01Å; P96-Q117 PolarHBondContact O-N 2.86Å; V98-Q117 PolarHBondContact N-O 2.92Å |
| 118 | A | 88.6 | Confident | 82.8 | Confident | 32 Ų | 32 | 69.1 Ų | 69.1 | 26% | 0.264 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 126.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V98 V100 L111 | V98-A118 CarbonylContact O-C 3.53Å; V98-A118 VanDerWaalsContact O-CA 3.27Å; V98-A118 WeakPolarHBondContact O-CA 3.48Å; V100-A118 HydrophobicContact CG2-CB 4.27Å; L111-A118 HydrophobicContact CB-CB 4.33Å; L111-A118 HydrophobicContact CD1-CB 4.12Å |
| 119 | Q | 90.6 | Very high | 81.7 | Confident | 114 Ų | 114 | 76.9 Ų | 76.9 | 53% | 0.533 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.4 | 172.7 | -178.1 | 179.1 | -4.5 | 0 | 0 | 109.5 | V98 F99 V100 V121 | V98-Q119 PolarHBondContact O-N 2.78Å; F99-Q119 WeakPolarHBondContact CA-O 3.3Å; F99-Q119 HydrophobicContact CD1-CB 4.26Å; V100-Q119 PolarHBondContact N-O 3.43Å; Q119-V121 HydrophobicContact CG-CG1 4.23Å |
| 120 | V | 90.6 | Very high | 80.9 | Confident | 55 Ų | 55 | 76.8 Ų | 76.8 | 33% | 0.333 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 127 | 174.9 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | V100 N102 R105 | V100-V120 CarbonylContact O-C 3.59Å; V100-V120 VanDerWaalsContact O-CA 3.27Å; V100-V120 WeakPolarHBondContact O-CA 3.47Å; N102-V120 HydrophobicContact CB-CG1 4.34Å; R105-V120 HydrophobicContact CG-CG1 4.41Å; R105-V120 HydrophobicContact CG-CG2 4.05Å |
| 121 | V | 90.6 | Very high | 80.9 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 16% | 0.158 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 154.4 | -178.7 | -62.3 | 0 | 0 | 0 | 0 | 111 | F99 V100 H101 N102 Q119 G123 Y133 | F99-V121 HydrophobicContact CB-CG2 4.37Å; F99-V121 HydrophobicContact CD1-CG1 4.23Å; V100-V121 PolarHBondContact O-N 2.85Å; H101-V121 CarbonylContact C-O 2.92Å; N102-V121 PolarHBondContact N-O 3.4Å; Q119-V121 HydrophobicContact CG-CG1 4.23Å; V121-G123 WeakPolarHBondContact CG2-O 3.46Å; V121-Y133 HydrophobicContact CG2-CE2 3.94Å |
| 122 | G | 84.8 | Confident | 81.3 | Confident | 72 Ų | 72 | 72.7 Ų | 72.7 | 74% | 0.742 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -83.3 | -8.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H101 | H101-G122 PolarHBondContact NE2-O 2.83Š|
| 123 | G | 85.8 | Confident | 82.3 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 32% | 0.32 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 178.5 | 172 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V121 | V121-G123 WeakPolarHBondContact CG2-O 3.46Š|
| 124 | F | 87.5 | Confident | 83.6 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | trans | -73.4 | 142.5 | 173.8 | -176.4 | -107.2 | 0 | 0 | 0 | 110.6 | L128 Y133 D146 L147 F150 | F124-L128 HydrophobicContact CE2-CD1 4.43Å; F124-Y133 HydrophobicContact CB-CE1 4.3Å; F124-Y133 HydrophobicContact CB-CE2 4.28Å; F124-Y133 HydrophobicContact CD2-CD1 4.2Å; F124-Y133 AromaticContact CD2-CD2 3.9Å; F124-Y133 HydrophobicContact CD2-CD2 3.9Å; F124-Y133 HydrophobicContact CD2-CE1 4.38Å; F124-Y133 HydrophobicContact CD2-CE2 4.12Å; F124-Y133 AromaticContact CD2-CG 3.96Å; F124-Y133 HydrophobicContact CD2-CG 3.96Å; F124-Y133 PolarHBondContact N-OH 3.35Å; F124-D146 HydrophobicContact CD1-CB 4.03Å; F124-D146 HydrophobicContact CE1-CB 3.88Å; F124-L147 HydrophobicContact CB-CD1 4.49Å; F124-L147 HydrophobicContact CB-CD2 4.02Å; F124-L147 HydrophobicContact CB-CG 4.12Å; F124-L147 HydrophobicContact CD1-CD2 3.93Å; F124-L147 HydrophobicContact CD1-CG 3.88Å; F124-L147 HydrophobicContact CD2-CD2 3.32Å; F124-L147 HydrophobicContact CD2-CG 4.16Å; F124-L147 HydrophobicContact CE1-CD2 4.27Å; F124-L147 HydrophobicContact CE1-CG 4.39Å; F124-L147 HydrophobicContact CE2-CD2 3.71Å; F124-L147 HydrophobicContact CG-CD2 3.45Å; F124-L147 VanDerWaalsContact CG-CD2 3.45Å; F124-L147 HydrophobicContact CG-CG 3.76Å; F124-L147 HydrophobicContact CZ-CD2 4.18Å; F124-F150 HydrophobicContact CE1-CB 4.25Å; F124-F150 HydrophobicContact CE2-CB 4.3Å; F124-F150 HydrophobicContact CE2-CD1 4.07Å; F124-F150 HydrophobicContact CE2-CD2 4.34Å; F124-F150 HydrophobicContact CE2-CE1 4.48Å; F124-F150 AromaticContact CE2-CG 3.99Å; F124-F150 HydrophobicContact CE2-CG 3.99Å; F124-F150 HydrophobicContact CZ-CB 3.54Å; F124-F150 HydrophobicContact CZ-CD1 4.17Å; F124-F150 HydrophobicContact CZ-CD2 4.06Å; F124-F150 AromaticContact CZ-CG 3.67Å; F124-F150 HydrophobicContact CZ-CG 3.67Å | ||
| 125 | D | 83.4 | Confident | 84.4 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | trans | -122.1 | 120.5 | 174.4 | 179.5 | -6.9 | 0 | 0 | 0 | 108.7 | N127 L128 | D125-N127 PolarHBondContact O-N 2.85Å; D125-N127 VanDerWaalsContact O-N 3.12Å; D125-N127 VanDerWaalsContact OD1-CB 3.31Å; D125-N127 WeakPolarHBondContact OD1-CB 2.98Å; D125-N127 PolarHBondContact OD1-N 2.64Å; D125-N127 PolarHBondContact OD1-ND2 3.06Å; D125-L128 HydrophobicContact CB-CD1 4.22Å; D125-L128 HydrophobicContact CB-CG 4.12Å; D125-L128 WeakPolarHBondContact O-CB 3.39Å; D125-L128 WeakPolarHBondContact O-CG 3.45Å; D125-L128 PolarHBondContact O-N 3.27Å | ||
| 126 | S | 78.1 | Confident | 85.1 | Confident | 73 Ų | 73 | 52.5 Ų | 52.5 | 51% | 0.51 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.6 | -178.6 | 52.5 | 0 | 0 | 0 | 0 | 114 | L128 | S126-L128 PolarHBondContact O-N 2.98Š|
| 127 | N | 75.9 | Confident | 85.5 | Confident | 124 Ų | 124 | 51.9 Ų | 51.9 | 66% | 0.663 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.6 | 169.8 | -63 | -61.5 | 0 | 0 | 0 | 113.3 | D125 K129 | D125-N127 PolarHBondContact O-N 2.85Å; D125-N127 VanDerWaalsContact O-N 3.12Å; D125-N127 VanDerWaalsContact OD1-CB 3.31Å; D125-N127 WeakPolarHBondContact OD1-CB 2.98Å; D125-N127 PolarHBondContact OD1-N 2.64Å; D125-N127 PolarHBondContact OD1-ND2 3.06Å; N127-K129 PolarHBondContact O-N 2.84Å |
| 128 | L | 70.4 | Confident | 85.8 | Confident | 35 Ų | 35 | 49 Ų | 49 | 18% | 0.183 | 29% | 0.286 | C | S | . | . | trans | -72.1 | 95.6 | 174.8 | -59.7 | 175.9 | 0 | 0 | 0 | 109.2 | F99 F124 D125 S126 F150 | F99-L128 HydrophobicContact CB-CD1 4.3Å; F99-L128 HydrophobicContact CD1-CD1 4.03Å; F99-L128 HydrophobicContact CD1-CD2 4.09Å; F99-L128 HydrophobicContact CD2-CD1 3.89Å; F99-L128 HydrophobicContact CD2-CD2 4.3Å; F99-L128 HydrophobicContact CE1-CD1 4.37Å; F99-L128 HydrophobicContact CE1-CD2 3.58Å; F99-L128 HydrophobicContact CE2-CD1 4.23Å; F99-L128 HydrophobicContact CE2-CD2 3.82Å; F99-L128 HydrophobicContact CE2-CG 4.41Å; F99-L128 HydrophobicContact CG-CD1 3.78Å; F99-L128 HydrophobicContact CG-CD2 4.43Å; F99-L128 HydrophobicContact CZ-CD1 4.48Å; F99-L128 HydrophobicContact CZ-CD2 3.45Å; F99-L128 VanDerWaalsContact CZ-CD2 3.45Å; F99-L128 HydrophobicContact CZ-CG 4.46Å; F124-L128 HydrophobicContact CE2-CD1 4.43Å; D125-L128 HydrophobicContact CB-CD1 4.22Å; D125-L128 HydrophobicContact CB-CG 4.12Å; D125-L128 WeakPolarHBondContact O-CB 3.39Å; D125-L128 WeakPolarHBondContact O-CG 3.45Å; D125-L128 PolarHBondContact O-N 3.27Å; S126-L128 PolarHBondContact O-N 2.98Å; L128-F150 WeakPolarHBondContact O-CD2 3.21Å | ||
| 129 | K | 63.2 | Low | 85.9 | Confident | 185 Ų | 185 | 49.1 Ų | 49.1 | 80% | 0.804 | 29% | 0.285 | S | S | * | . | trans | -80.5 | -20.7 | -175 | -66 | -173.7 | -179.2 | -178.6 | 0 | 114.2 | N127 | N127-K129 PolarHBondContact O-N 2.84Š| ||
| 130 | T | 68.3 | Low | 85.6 | Confident | 85 Ų | 85 | 43.8 Ų | 43.8 | 52% | 0.521 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -148.5 | 163.5 | -177.5 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | D95 | D95-T130 WeakPolarHBondContact OD2-CB 3.37Å; D95-T130 PolarHBondContact OD2-OG1 3.28Å |
| 131 | G | 83.6 | Confident | 84.6 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 115.2 | -167.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F150 G156 | G131-F150 WeakPolarHBondContact O-CZ 3.45Å; G131-G156 PolarHBondContact O-N 2.89Å |
| 132 | V | 92.8 | Very high | 83.8 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130 | 178 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | L85 L88 R89 S97 V98 F99 V134 G156 | L85-V132 HydrophobicContact CD2-CB 4.34Å; L85-V132 HydrophobicContact CD2-CG1 3.67Å; L88-V132 HydrophobicContact CB-CG1 3.94Å; L88-V132 HydrophobicContact CB-CG2 3.81Å; L88-V132 HydrophobicContact CD1-CG1 3.82Å; R89-V132 HydrophobicContact CB-CG2 4.2Å; S97-V132 PolarHBondContact O-N 3.03Å; V98-V132 CarbonylContact C-O 3.59Å; V98-V132 WeakPolarHBondContact CA-O 3.39Å; V98-V132 HydrophobicContact CG2-CB 4.44Å; F99-V132 PolarHBondContact N-O 2.99Å; V132-V134 HydrophobicContact CG1-CG2 4.36Å; V132-G156 CarbonylContact C-O 3.53Å; V132-G156 WeakPolarHBondContact CA-O 3.46Å |
| 133 | Y | 94.3 | Very high | 83.6 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.7 | 173.4 | -174.3 | -110 | 0 | 0 | 0 | 110.4 | F99 H101 V121 F124 T135 L147 G156 V157 L158 | F99-Y133 HydrophobicContact CB-CD2 3.9Å; F99-Y133 CarbonylContact O-C 3.55Å; F99-Y133 WeakPolarHBondContact O-CA 3.3Å; F99-Y133 WeakPolarHBondContact O-CD2 3.36Å; H101-Y133 PolarHBondContact CD2-OH 3.44Å; V121-Y133 HydrophobicContact CG2-CE2 3.94Å; F124-Y133 HydrophobicContact CB-CE1 4.3Å; F124-Y133 HydrophobicContact CB-CE2 4.28Å; F124-Y133 HydrophobicContact CD2-CD1 4.2Å; F124-Y133 AromaticContact CD2-CD2 3.9Å; F124-Y133 HydrophobicContact CD2-CD2 3.9Å; F124-Y133 HydrophobicContact CD2-CE1 4.38Å; F124-Y133 HydrophobicContact CD2-CE2 4.12Å; F124-Y133 AromaticContact CD2-CG 3.96Å; F124-Y133 HydrophobicContact CD2-CG 3.96Å; F124-Y133 PolarHBondContact N-OH 3.35Å; Y133-T135 HydrophobicContact CD1-CG2 3.99Å; Y133-T135 HydrophobicContact CE1-CG2 3.67Å; Y133-L147 HydrophobicContact CD1-CD2 3.53Å; Y133-L147 HydrophobicContact CE1-CD1 4.34Å; Y133-L147 HydrophobicContact CE1-CD2 3.84Å; Y133-L147 HydrophobicContact CG-CD2 4.23Å; Y133-G156 PolarHBondContact N-O 2.97Å; Y133-V157 WeakPolarHBondContact O-CA 3.26Å; Y133-L158 PolarHBondContact O-N 3.43Å |
| 134 | V | 95.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.9 | -179.6 | -171 | 0 | 0 | 0 | 0 | 109.3 | L74 L85 V98 F99 V100 H101 V104 V107 V132 L158 | L74-V134 HydrophobicContact CD2-CG1 4.35Å; L85-V134 HydrophobicContact CD2-CG2 3.8Å; V98-V134 HydrophobicContact CG1-CG2 3.63Å; F99-V134 PolarHBondContact O-N 2.82Å; V100-V134 HydrophobicContact CG2-CB 4.38Å; V100-V134 HydrophobicContact CG2-CG2 4.49Å; H101-V134 PolarHBondContact N-O 2.94Å; V104-V134 HydrophobicContact CG2-CG1 4.24Å; V107-V134 HydrophobicContact CG1-CG1 4.34Å; V107-V134 HydrophobicContact CG2-CG1 4.28Å; V132-V134 HydrophobicContact CG1-CG2 4.36Å; V134-L158 WeakPolarHBondContact CA-O 3.21Å; V134-L158 HydrophobicContact CB-CB 4.49Å; V134-L158 HydrophobicContact CG1-CB 4.2Å; V134-L158 HydrophobicContact CG1-CD2 3.96Å; V134-L158 HydrophobicContact CG1-CG 4.13Å; V134-L158 HydrophobicContact CG2-CB 4.18Å; V134-L158 HydrophobicContact CG2-CD2 4.34Å |
| 135 | T | 95.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 161.2 | -175.7 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | Y133 V140 L158 I159 A160 | Y133-T135 HydrophobicContact CD1-CG2 3.99Å; Y133-T135 HydrophobicContact CE1-CG2 3.67Å; T135-V140 HydrophobicContact CG2-CG1 3.53Å; T135-L158 PolarHBondContact N-O 3.48Å; T135-I159 HydrophobicContact CG2-CB 4.41Å; T135-I159 HydrophobicContact CG2-CG1 4.18Å; T135-I159 WeakPolarHBondContact O-CA 3.44Å; T135-A160 PolarHBondContact O-N 3.25Å |
| 136 | D | 95 | Very high | 84.2 | Confident | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.08 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 168.2 | 159.5 | 68.2 | 38.9 | 0 | 0 | 0 | 111.4 | S103 V104 Y138 S139 A160 | S103-D136 WeakPolarHBondContact CB-OD2 3.4Å; S103-D136 PolarHBondContact OG-OD2 2.81Å; V104-D136 HydrophobicContact CG1-CB 3.89Å; D136-Y138 VanDerWaalsContact C-N 3.26Å; D136-Y138 HydrophobicContact CB-CD2 4.14Å; D136-Y138 PolarHBondContact O-N 3.48Å; D136-Y138 WeakPolarHBondContact OD1-CA 3.39Å; D136-Y138 PolarHBondContact OD1-N 3.21Å; D136-S139 WeakPolarHBondContact OD1-CB 3.41Å; D136-S139 PolarHBondContact OD1-N 3.14Å; D136-S139 PolarHBondContact OD1-OG 3.32Å; D136-S139 PolarHBondContact OD2-OG 2.82Å; D136-A160 CarbonylContact C-O 3.48Å; D136-A160 WeakPolarHBondContact CA-O 3.41Å; D136-A160 WeakPolarHBondContact CB-O 3.24Å |
| 137 | A | 94.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -74.4 | -9.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I159 A160 F179 D180 G181 F192 | A137-I159 HydrophobicContact CB-CD1 4.31Å; A137-I159 HydrophobicContact CB-CG1 4.15Å; A137-A160 PolarHBondContact N-O 2.99Å; A137-F179 HydrophobicContact CB-CE1 3.71Å; A137-F179 HydrophobicContact CB-CZ 3.61Å; A137-D180 CarbonylContact O-C 3.49Å; A137-G181 VanDerWaalsContact O-CA 3.25Å; A137-G181 WeakPolarHBondContact O-CA 3.42Å; A137-G181 PolarHBondContact O-N 3.19Å; A137-F192 HydrophobicContact CB-CE2 4.05Å; A137-F192 HydrophobicContact CB-CZ 4.02Å |
| 138 | Y | 92.8 | Very high | 85.7 | Confident | 75 Ų | 75 | 43.3 Ų | 43.3 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -95.7 | -24.1 | -177.5 | -48.2 | -81.3 | 0 | 0 | 0 | 112.2 | D136 Q162 W166 F179 | D136-Y138 VanDerWaalsContact C-N 3.26Å; D136-Y138 HydrophobicContact CB-CD2 4.14Å; D136-Y138 PolarHBondContact O-N 3.48Å; D136-Y138 WeakPolarHBondContact OD1-CA 3.39Å; D136-Y138 PolarHBondContact OD1-N 3.21Å; Y138-Q162 VanDerWaalsContact OH-CG 3.29Å; Y138-Q162 WeakPolarHBondContact OH-CG 3.43Å; Y138-Q162 PolarHBondContact OH-N 3.44Å; Y138-Q162 PolarHBondContact OH-NE2 3.48Å; Y138-Q162 PolarHBondContact OH-O 3.25Å; Y138-W166 HydrophobicContact CE1-CB 4.48Å; Y138-F179 AromaticContact CD1-CE2 3.81Å; Y138-F179 HydrophobicContact CD1-CE2 3.81Å; Y138-F179 HydrophobicContact CD1-CZ 4.26Å; Y138-F179 AromaticContact CE1-CE2 3.58Å; Y138-F179 HydrophobicContact CE1-CE2 3.58Å; Y138-F179 AromaticContact CE1-CZ 3.9Å; Y138-F179 HydrophobicContact CE1-CZ 3.9Å |
| 139 | S | 89.9 | Confident | 86.8 | Confident | 34 Ų | 34 | 44.3 Ų | 44.3 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 4.7 | -171.8 | -54.2 | 0 | 0 | 0 | 0 | 113.7 | H101 S103 D136 | H101-S139 WeakPolarHBondContact CE1-CB 3.44Å; H101-S139 PolarHBondContact CE1-OG 2.91Å; H101-S139 VanDerWaalsContact CE1-OG 3.26Å; H101-S139 WeakPolarHBondContact ND1-CB 3.38Å; H101-S139 PolarHBondContact ND1-OG 3.29Å; S103-S139 PolarHBondContact OG-OG 2.95Å; D136-S139 WeakPolarHBondContact OD1-CB 3.41Å; D136-S139 PolarHBondContact OD1-N 3.14Å; D136-S139 PolarHBondContact OD1-OG 3.32Å; D136-S139 PolarHBondContact OD2-OG 2.82Å |
| 140 | V | 84.9 | Confident | 88.2 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -7.6 | 179.8 | -59.2 | 0 | 0 | 0 | 0 | 113.7 | T135 A142 P144 L147 I159 D180 V184 | T135-V140 HydrophobicContact CG2-CG1 3.53Å; V140-A142 VanDerWaalsContact C-N 3.25Å; V140-A142 PolarHBondContact O-N 2.91Å; V140-P144 WeakPolarHBondContact O-CD 3.19Å; V140-L147 HydrophobicContact CB-CD1 3.96Å; V140-L147 HydrophobicContact CG1-CD1 3.96Å; V140-I159 HydrophobicContact CG1-CD1 3.93Å; V140-I159 HydrophobicContact CG2-CD1 4.45Å; V140-D180 HydrophobicContact CG2-CB 3.86Å; V140-D180 WeakPolarHBondContact CG2-O 3.21Å; V140-V184 HydrophobicContact CB-CG2 4.03Å; V140-V184 HydrophobicContact CG2-CG2 4.18Å |
| 141 | G | 69.7 | Low | 89.3 | Confident | 30 Ų | 30 | 32 Ų | 32 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -67.1 | -18.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 142 | A | 74.9 | Confident | 89.7 | Confident | 81 Ų | 81 | 35.1 Ų | 35.1 | 67% | 0.669 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -68.8 | -46.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V140 | V140-A142 VanDerWaalsContact C-N 3.25Å; V140-A142 PolarHBondContact O-N 2.91Å |
| 143 | D | 80.1 | Confident | 89.6 | Confident | 71 Ų | 71 | 39 Ų | 39 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -140.8 | 53.8 | -171.8 | -58 | -65.6 | 0 | 0 | 0 | 113.4 | K145 D146 L147 | D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.03Å; D143-D146 HydrophobicContact CB-CB 4.23Å; D143-D146 PolarHBondContact O-N 3.43Å; D143-L147 PolarHBondContact O-N 3.25Å |
| 144 | P | 87.8 | Confident | 89.4 | Confident | 30 Ų | 30 | 40.4 Ų | 40.4 | 20% | 0.195 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -33.7 | -174.3 | 24.9 | -34.2 | 0 | 0 | 0 | 113 | V140 L147 V148 K183 V184 | V140-P144 WeakPolarHBondContact O-CD 3.19Å; P144-L147 PolarHBondContact O-N 3.23Å; P144-V148 VanDerWaalsContact O-CG2 3.28Å; P144-V148 WeakPolarHBondContact O-CG2 3.2Å; P144-V148 PolarHBondContact O-N 2.95Å; P144-K183 HydrophobicContact CB-CB 3.89Å; P144-K183 HydrophobicContact CG-CD 4.42Å; P144-V184 HydrophobicContact CB-CG2 4.06Å |
| 145 | K | 90 | Very high | 89.2 | Confident | 174 Ų | 174 | 40.6 Ų | 40.6 | 76% | 0.757 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -66.2 | -38.9 | 178.3 | -70.5 | -176 | 177.7 | -179.9 | 0 | 112.4 | D143 V148 A149 | D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 3.03Å; K145-V148 PolarHBondContact O-N 3.29Å; K145-A149 WeakPolarHBondContact O-CB 3.33Å; K145-A149 PolarHBondContact O-N 2.77Å |
| 146 | D | 91.4 | Very high | 89.1 | Confident | 63 Ų | 63 | 40.6 Ų | 40.6 | 34% | 0.337 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -71.4 | -38.2 | -179.8 | -71.4 | -1.1 | 0 | 0 | 0 | 110.6 | F124 D143 A149 F150 | F124-D146 HydrophobicContact CD1-CB 4.03Å; F124-D146 HydrophobicContact CE1-CB 3.88Å; D143-D146 HydrophobicContact CB-CB 4.23Å; D143-D146 PolarHBondContact O-N 3.43Å; D146-A149 PolarHBondContact O-N 2.99Å; D146-F150 WeakPolarHBondContact O-CB 3.17Å; D146-F150 PolarHBondContact O-N 2.79Å |
| 147 | L | 92.1 | Very high | 89.1 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 171.7 | -80.3 | 169.6 | 0 | 0 | 0 | 112.6 | F124 Y133 V140 D143 P144 F150 M151 V184 | F124-L147 HydrophobicContact CB-CD1 4.49Å; F124-L147 HydrophobicContact CB-CD2 4.02Å; F124-L147 HydrophobicContact CB-CG 4.12Å; F124-L147 HydrophobicContact CD1-CD2 3.93Å; F124-L147 HydrophobicContact CD1-CG 3.88Å; F124-L147 HydrophobicContact CD2-CD2 3.32Å; F124-L147 HydrophobicContact CD2-CG 4.16Å; F124-L147 HydrophobicContact CE1-CD2 4.27Å; F124-L147 HydrophobicContact CE1-CG 4.39Å; F124-L147 HydrophobicContact CE2-CD2 3.71Å; F124-L147 HydrophobicContact CG-CD2 3.45Å; F124-L147 VanDerWaalsContact CG-CD2 3.45Å; F124-L147 HydrophobicContact CG-CG 3.76Å; F124-L147 HydrophobicContact CZ-CD2 4.18Å; Y133-L147 HydrophobicContact CD1-CD2 3.53Å; Y133-L147 HydrophobicContact CE1-CD1 4.34Å; Y133-L147 HydrophobicContact CE1-CD2 3.84Å; Y133-L147 HydrophobicContact CG-CD2 4.23Å; V140-L147 HydrophobicContact CB-CD1 3.96Å; V140-L147 HydrophobicContact CG1-CD1 3.96Å; D143-L147 PolarHBondContact O-N 3.25Å; P144-L147 PolarHBondContact O-N 3.23Å; L147-F150 WeakPolarHBondContact O-CB 3.22Å; L147-F150 PolarHBondContact O-N 3.37Å; L147-M151 WeakPolarHBondContact O-CB 3.31Å; L147-M151 PolarHBondContact O-N 3.37Å; L147-V184 HydrophobicContact CB-CG1 4.21Å; L147-V184 HydrophobicContact CB-CG2 4.03Å; L147-V184 HydrophobicContact CD1-CG2 4Å |
| 148 | V | 93.8 | Very high | 89.3 | Confident | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -42 | 175.2 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | Y60 P144 K145 M151 K152 V187 E358 | Y60-V148 HydrophobicContact CE1-CG1 3.77Å; P144-V148 VanDerWaalsContact O-CG2 3.28Å; P144-V148 WeakPolarHBondContact O-CG2 3.2Å; P144-V148 PolarHBondContact O-N 2.95Å; K145-V148 PolarHBondContact O-N 3.29Å; V148-M151 PolarHBondContact O-N 3.28Å; V148-K152 VanDerWaalsContact O-CB 3.3Å; V148-K152 WeakPolarHBondContact O-CB 3.37Å; V148-K152 PolarHBondContact O-N 2.94Å; V148-V187 HydrophobicContact CG1-CG1 4.34Å; V148-V187 HydrophobicContact CG1-CG2 4.03Å; V148-V187 HydrophobicContact CG2-CG1 3.85Å; V148-V187 HydrophobicContact CG2-CG2 3.95Å; V148-E358 HydrophobicContact CG1-CG 4.27Å |
| 149 | A | 92.4 | Very high | 89.5 | Confident | 56 Ų | 56 | 36.4 Ų | 36.4 | 46% | 0.463 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K145 D146 K152 A153 | K145-A149 WeakPolarHBondContact O-CB 3.33Å; K145-A149 PolarHBondContact O-N 2.77Å; D146-A149 PolarHBondContact O-N 2.99Å; A149-K152 PolarHBondContact O-N 2.91Å; A149-A153 WeakPolarHBondContact O-CB 3.45Å; A149-A153 PolarHBondContact O-N 3.5Å |
| 150 | F | 92.1 | Very high | 89.8 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 6% | 0.057 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 174.1 | 167.1 | -105.5 | 0 | 0 | 0 | 112 | F124 L128 G131 D146 L147 K152 A153 G154 G155 V157 | F124-F150 HydrophobicContact CE1-CB 4.25Å; F124-F150 HydrophobicContact CE2-CB 4.3Å; F124-F150 HydrophobicContact CE2-CD1 4.07Å; F124-F150 HydrophobicContact CE2-CD2 4.34Å; F124-F150 HydrophobicContact CE2-CE1 4.48Å; F124-F150 AromaticContact CE2-CG 3.99Å; F124-F150 HydrophobicContact CE2-CG 3.99Å; F124-F150 HydrophobicContact CZ-CB 3.54Å; F124-F150 HydrophobicContact CZ-CD1 4.17Å; F124-F150 HydrophobicContact CZ-CD2 4.06Å; F124-F150 AromaticContact CZ-CG 3.67Å; F124-F150 HydrophobicContact CZ-CG 3.67Å; L128-F150 WeakPolarHBondContact O-CD2 3.21Å; G131-F150 WeakPolarHBondContact O-CZ 3.45Å; D146-F150 WeakPolarHBondContact O-CB 3.17Å; D146-F150 PolarHBondContact O-N 2.79Å; L147-F150 WeakPolarHBondContact O-CB 3.22Å; L147-F150 PolarHBondContact O-N 3.37Å; F150-K152 PolarHBondContact O-N 2.96Å; F150-A153 PolarHBondContact O-N 3.4Å; F150-G154 PolarHBondContact O-N 3.17Å; F150-G155 WeakPolarHBondContact O-CA 3.44Å; F150-G155 PolarHBondContact O-N 3.08Å; F150-V157 HydrophobicContact CD1-CG2 4.2Å; F150-V157 HydrophobicContact CE1-CG2 4.23Å |
| 151 | M | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 176 | -176.6 | 170.2 | 52.1 | 0 | 0 | 110.7 | Y60 G63 I65 L147 V148 A153 G154 V157 V187 A188 | Y60-M151 HydrophobicContact CD1-CE 3.83Å; Y60-M151 HydrophobicContact CD1-CG 4.47Å; Y60-M151 HydrophobicContact CG-CE 4.04Å; G63-M151 WeakPolarHBondContact CA-O 3.42Å; G63-M151 PolarHBondContact N-O 2.97Å; I65-M151 HydrophobicContact CB-SD 3.81Å; I65-M151 HydrophobicContact CD1-SD 4.32Å; I65-M151 HydrophobicContact CG2-SD 4.19Å; L147-M151 WeakPolarHBondContact O-CB 3.31Å; L147-M151 PolarHBondContact O-N 3.37Å; V148-M151 PolarHBondContact O-N 3.28Å; M151-A153 PolarHBondContact O-N 3.42Å; M151-A153 VanDerWaalsContact O-N 3.16Å; M151-G154 PolarHBondContact O-N 2.98Å; M151-V157 HydrophobicContact CB-CG2 4.37Å; M151-V187 HydrophobicContact CE-CG2 3.5Å; M151-A188 HydrophobicContact CE-CB 4.28Å; M151-A188 HydrophobicContact SD-CB 4.46Å |
| 152 | K | 91.4 | Very high | 91.5 | Very high | 75 Ų | 75 | 34 Ų | 34 | 33% | 0.326 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.6 | -34.1 | 178.2 | -166.4 | 172.9 | -173.1 | 170.5 | 0 | 112.8 | Y60 A62 V148 A149 F150 G154 E358 | Y60-K152 HydrophobicContact CD1-CB 4.16Å; Y60-K152 HydrophobicContact CE1-CB 3.94Å; Y60-K152 HydrophobicContact CE1-CD 4.15Å; Y60-K152 HydrophobicContact CE1-CG 4.13Å; A62-K152 PolarHBondContact N-O 3.49Å; V148-K152 VanDerWaalsContact O-CB 3.3Å; V148-K152 WeakPolarHBondContact O-CB 3.37Å; V148-K152 PolarHBondContact O-N 2.94Å; A149-K152 PolarHBondContact O-N 2.91Å; F150-K152 PolarHBondContact O-N 2.96Å; K152-G154 VanDerWaalsContact C-N 3.31Å; K152-G154 PolarHBondContact O-N 2.67Å; K152-E358 IonicContact NZ-OE1 2.69Å; K152-E358 PolarHBondContact NZ-OE1 2.96Å |
| 153 | A | 90.6 | Very high | 92.4 | Very high | 84 Ų | 84 | 30.1 Ų | 30.1 | 69% | 0.694 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -5.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A149 F150 M151 | A149-A153 WeakPolarHBondContact O-CB 3.45Å; A149-A153 PolarHBondContact O-N 3.5Å; F150-A153 PolarHBondContact O-N 3.4Å; M151-A153 PolarHBondContact O-N 3.42Å; M151-A153 VanDerWaalsContact O-N 3.16Å |
| 154 | G | 89.9 | Confident | 93 | Very high | 31 Ų | 31 | 30.6 Ų | 30.6 | 32% | 0.32 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 118 | -0.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F150 M151 K152 | F150-G154 PolarHBondContact O-N 3.17Å; M151-G154 PolarHBondContact O-N 2.98Å; K152-G154 VanDerWaalsContact C-N 3.31Å; K152-G154 PolarHBondContact O-N 2.67Å |
| 155 | G | 91.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | trans | -66.5 | 150.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G63 R64 F150 | G63-G155 WeakPolarHBondContact CA-O 3.36Å; R64-G155 PolarHBondContact N-O 2.94Å; F150-G155 WeakPolarHBondContact O-CA 3.44Å; F150-G155 PolarHBondContact O-N 3.08Å | ||
| 156 | G | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R64 L88 G131 V132 Y133 | R64-G156 WeakPolarHBondContact O-CA 2.92Å; L88-G156 WeakPolarHBondContact O-CA 3.4Å; G131-G156 PolarHBondContact O-N 2.89Å; V132-G156 CarbonylContact C-O 3.53Å; V132-G156 WeakPolarHBondContact CA-O 3.46Å; Y133-G156 PolarHBondContact N-O 2.97Å |
| 157 | V | 95.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.1 | 177.2 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | R64 I65 V66 L88 Y133 F150 M151 I159 | R64-V157 PolarHBondContact O-N 3.34Å; I65-V157 CarbonylContact C-O 3.54Å; I65-V157 VanDerWaalsContact CA-O 3.26Å; I65-V157 WeakPolarHBondContact CA-O 3.34Å; I65-V157 HydrophobicContact CD1-CB 4.41Å; I65-V157 HydrophobicContact CD1-CG1 4.33Å; I65-V157 HydrophobicContact CG1-CB 4.11Å; I65-V157 HydrophobicContact CG1-CG1 4.35Å; I65-V157 WeakPolarHBondContact CG1-O 3.38Å; V66-V157 PolarHBondContact N-O 3.48Å; L88-V157 WeakPolarHBondContact CD2-O 3.35Å; Y133-V157 WeakPolarHBondContact O-CA 3.26Å; F150-V157 HydrophobicContact CD1-CG2 4.2Å; F150-V157 HydrophobicContact CE1-CG2 4.23Å; M151-V157 HydrophobicContact CB-CG2 4.37Å; V157-I159 HydrophobicContact CG1-CB 4.45Å |
| 158 | L | 97.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 114.3 | 167.1 | 177.8 | 58.6 | 0 | 0 | 0 | 108.4 | V66 L68 L74 V81 L85 L88 Y133 V134 T135 | V66-L158 HydrophobicContact CB-CD1 3.76Å; V66-L158 HydrophobicContact CG1-CD1 3.68Å; V66-L158 WeakPolarHBondContact O-CA 3.4Å; L68-L158 HydrophobicContact CD1-CD1 4.29Å; L68-L158 HydrophobicContact CG-CD1 4.19Å; L74-L158 HydrophobicContact CD2-CD1 4.47Å; L74-L158 HydrophobicContact CD2-CD2 3.71Å; L74-L158 HydrophobicContact CD2-CG 3.98Å; V81-L158 HydrophobicContact CG1-CD2 4.1Å; L85-L158 HydrophobicContact CD2-CD2 4.37Å; L88-L158 HydrophobicContact CD1-CB 3.69Å; Y133-L158 PolarHBondContact O-N 3.43Å; V134-L158 WeakPolarHBondContact CA-O 3.21Å; V134-L158 HydrophobicContact CB-CB 4.49Å; V134-L158 HydrophobicContact CG1-CB 4.2Å; V134-L158 HydrophobicContact CG1-CD2 3.96Å; V134-L158 HydrophobicContact CG1-CG 4.13Å; V134-L158 HydrophobicContact CG2-CB 4.18Å; V134-L158 HydrophobicContact CG2-CD2 4.34Å; T135-L158 PolarHBondContact N-O 3.48Å |
| 159 | I | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137.1 | -178.1 | -169.8 | 170 | 0 | 0 | 0 | 110.3 | I65 V66 V67 L68 T135 A137 V140 V157 F192 | I65-I159 HydrophobicContact CD1-CG2 4.05Å; I65-I159 HydrophobicContact CG1-CG2 4.35Å; V66-I159 PolarHBondContact O-N 3.15Å; V67-I159 CarbonylContact C-O 3.58Å; V67-I159 WeakPolarHBondContact CA-O 3.49Å; V67-I159 HydrophobicContact CB-CG2 4.18Å; V67-I159 HydrophobicContact CG1-CG2 4.11Å; V67-I159 HydrophobicContact CG2-CG2 3.7Å; L68-I159 PolarHBondContact N-O 3.04Å; T135-I159 HydrophobicContact CG2-CB 4.41Å; T135-I159 HydrophobicContact CG2-CG1 4.18Å; T135-I159 WeakPolarHBondContact O-CA 3.44Å; A137-I159 HydrophobicContact CB-CD1 4.31Å; A137-I159 HydrophobicContact CB-CG1 4.15Å; V140-I159 HydrophobicContact CG1-CD1 3.93Å; V140-I159 HydrophobicContact CG2-CD1 4.45Å; V157-I159 HydrophobicContact CG1-CB 4.45Å; I159-F192 HydrophobicContact CD1-CE2 4.43Å; I159-F192 HydrophobicContact CG1-CZ 4.46Å; I159-F192 HydrophobicContact CG2-CE2 4.47Å; I159-F192 HydrophobicContact CG2-CZ 4.37Å |
| 160 | A | 97 | Very high | 93 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 138.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L68 E71 L74 T135 D136 A137 | L68-A160 HydrophobicContact CB-CB 3.85Å; L68-A160 HydrophobicContact CD1-CB 4.25Å; L68-A160 HydrophobicContact CG-CB 4.3Å; L68-A160 VanDerWaalsContact O-CA 3.28Å; L68-A160 WeakPolarHBondContact O-CA 3.46Å; E71-A160 HydrophobicContact CB-CB 4.42Å; L74-A160 HydrophobicContact CD1-CB 3.77Å; L74-A160 HydrophobicContact CD2-CB 4.18Å; L74-A160 HydrophobicContact CG-CB 3.78Å; T135-A160 PolarHBondContact O-N 3.25Å; D136-A160 CarbonylContact C-O 3.48Å; D136-A160 WeakPolarHBondContact CA-O 3.41Å; D136-A160 WeakPolarHBondContact CB-O 3.24Å; A137-A160 PolarHBondContact N-O 2.99Å |
| 161 | G | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | 164.9 | -177.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L68 G69 H70 E71 F192 | L68-G161 PolarHBondContact O-N 3.16Å; G69-G161 CarbonylContact C-O 3.52Å; G69-G161 WeakPolarHBondContact CA-O 3.23Å; G69-G161 CarbonylContact O-C 3.51Å; H70-G161 PolarHBondContact N-O 2.95Å; E71-G161 WeakPolarHBondContact OE2-CA 3.36Å; G161-F192 WeakPolarHBondContact O-CD1 3.31Å; G161-F192 WeakPolarHBondContact O-CE1 3.09Å | ||
| 162 | Q | 94.2 | Very high | 92.1 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | trans | -129.7 | 134.9 | -179.7 | 54.3 | 71.1 | 18.3 | 0 | 0 | 110.3 | Y138 S165 F179 | Y138-Q162 VanDerWaalsContact OH-CG 3.29Å; Y138-Q162 WeakPolarHBondContact OH-CG 3.43Å; Y138-Q162 PolarHBondContact OH-N 3.44Å; Y138-Q162 PolarHBondContact OH-NE2 3.48Å; Y138-Q162 PolarHBondContact OH-O 3.25Å; Q162-S165 VanDerWaalsContact CD-CB 3.49Å; Q162-S165 VanDerWaalsContact NE2-CB 3.26Å; Q162-S165 PolarHBondContact NE2-OG 2.87Å; Q162-S165 VanDerWaalsContact OE1-CA 3.3Å; Q162-F179 WeakPolarHBondContact O-CZ 3.39Å | ||
| 163 | A | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -91.8 | -23.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S33 S165 W166 T167 T175 F179 F192 | S33-A163 PolarHBondContact OG-N 3.24Å; A163-S165 VanDerWaalsContact C-N 3.34Å; A163-S165 PolarHBondContact O-N 3.48Å; A163-W166 WeakPolarHBondContact O-CB 3.46Å; A163-W166 PolarHBondContact O-N 3.39Å; A163-W166 VanDerWaalsContact O-N 3.14Å; A163-T167 PolarHBondContact O-N 2.97Å; A163-T167 PolarHBondContact O-OG1 2.94Å; A163-T175 HydrophobicContact CB-CG2 3.66Å; A163-F179 HydrophobicContact CB-CD1 3.7Å; A163-F179 HydrophobicContact CB-CD2 4.22Å; A163-F179 HydrophobicContact CB-CE1 3.82Å; A163-F179 HydrophobicContact CB-CE2 4.33Å; A163-F179 HydrophobicContact CB-CG 3.9Å; A163-F179 HydrophobicContact CB-CZ 4.13Å; A163-F192 HydrophobicContact CB-CB 3.5Å; A163-F192 VanDerWaalsContact CB-CB 3.5Å |
| 164 | W | 92.7 | Very high | 91.7 | Very high | 81 Ų | 81 | 43.4 Ų | 43.4 | 31% | 0.307 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.3 | -38.2 | -174.3 | 69.9 | -99.5 | 0 | 0 | 0 | 113 | V31 S33 T167 A168 K194 P196 | V31-W164 HydrophobicContact CB-CZ2 3.89Å; V31-W164 HydrophobicContact CG1-CZ2 4.11Å; V31-W164 PolarHBondContact O-NE1 3.32Å; S33-W164 PolarHBondContact OG-N 2.93Å; W164-T167 PolarHBondContact O-N 3.47Å; W164-A168 PolarHBondContact O-N 3.02Å; W164-K194 WeakPolarHBondContact CB-O 3.42Å; W164-P196 HydrophobicContact CD2-CB 4.16Å; W164-P196 HydrophobicContact CG-CB 4.02Å |
| 165 | S | 92.1 | Very high | 91.7 | Very high | 39 Ų | 39 | 42.4 Ų | 42.4 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -78.7 | -29.5 | 176 | 126.7 | 0 | 0 | 0 | 0 | 111.6 | Q162 A163 T167 A168 | Q162-S165 VanDerWaalsContact CD-CB 3.49Å; Q162-S165 VanDerWaalsContact NE2-CB 3.26Å; Q162-S165 PolarHBondContact NE2-OG 2.87Å; Q162-S165 VanDerWaalsContact OE1-CA 3.3Å; A163-S165 VanDerWaalsContact C-N 3.34Å; A163-S165 PolarHBondContact O-N 3.48Å; S165-T167 VanDerWaalsContact C-N 3.32Å; S165-A168 WeakPolarHBondContact O-CB 3.48Å; S165-A168 PolarHBondContact O-N 2.75Å |
| 166 | W | 93.1 | Very high | 91.5 | Very high | 38 Ų | 38 | 42.9 Ų | 42.9 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 168.5 | 177 | 89.7 | 0 | 0 | 0 | 111.3 | Y138 A163 A168 D169 H170 E173 T175 H178 F179 | Y138-W166 HydrophobicContact CE1-CB 4.48Å; A163-W166 WeakPolarHBondContact O-CB 3.46Å; A163-W166 PolarHBondContact O-N 3.39Å; A163-W166 VanDerWaalsContact O-N 3.14Å; W166-A168 PolarHBondContact O-N 2.8Å; W166-D169 PolarHBondContact O-N 2.81Å; W166-D169 VanDerWaalsContact O-N 3.14Å; W166-H170 AromaticContact CD1-CE1 3.89Å; W166-H170 AromaticContact CD1-ND1 3.8Å; W166-H170 HydrophobicContact CD2-CB 4.41Å; W166-H170 AromaticContact CD2-ND1 3.78Å; W166-H170 AromaticContact CE2-CE1 3.87Å; W166-H170 AromaticContact CE2-CG 3.73Å; W166-H170 AromaticContact CE2-ND1 3.45Å; W166-H170 HydrophobicContact CE3-CB 4.28Å; W166-H170 AromaticContact CG-ND1 4Å; W166-H170 HydrophobicContact CH2-CB 3.73Å; W166-H170 HydrophobicContact CZ2-CB 3.88Å; W166-H170 AromaticContact CZ2-CD2 3.98Å; W166-H170 AromaticContact CZ2-CG 3.63Å; W166-H170 AromaticContact CZ2-ND1 3.87Å; W166-H170 HydrophobicContact CZ3-CB 3.95Å; W166-H170 AromaticContact NE1-CE1 3.46Å; W166-H170 PolarHBondContact NE1-CE1 3.42Å; W166-H170 AromaticContact NE1-ND1 3.46Å; W166-H170 PolarHBondContact NE1-ND1 3.36Å; W166-H170 PolarHBondContact O-N 3.22Å; W166-H170 VanDerWaalsContact O-N 3.14Å; W166-H170 PolarHBondContact O-ND1 3.3Å; W166-E173 HydrophobicContact CH2-CB 3.79Å; W166-E173 HydrophobicContact CZ3-CB 4.35Å; W166-T175 HydrophobicContact CE3-CG2 4.34Å; W166-T175 HydrophobicContact CZ3-CG2 4.39Å; W166-H178 HydrophobicContact CH2-CB 3.7Å; W166-H178 HydrophobicContact CZ2-CB 4.24Å; W166-F179 HydrophobicContact CB-CD2 3.83Å; W166-F179 HydrophobicContact CB-CE2 3.8Å; W166-F179 HydrophobicContact CD2-CB 4.47Å; W166-F179 AromaticContact CD2-CD2 3.76Å; W166-F179 HydrophobicContact CD2-CD2 3.76Å; W166-F179 HydrophobicContact CE3-CB 4.22Å; W166-F179 HydrophobicContact CE3-CD2 4.16Å; W166-F179 AromaticContact CG-CD2 3.58Å; W166-F179 HydrophobicContact CG-CD2 3.58Å; W166-F179 AromaticContact CG-CE2 3.95Å; W166-F179 HydrophobicContact CG-CE2 3.95Å; W166-F179 HydrophobicContact CZ3-CB 4.42Å |
| 167 | T | 91.3 | Very high | 91.1 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -29.7 | 177.1 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | A163 W164 S165 D169 H170 P171 T175 K194 | A163-T167 PolarHBondContact O-N 2.97Å; A163-T167 PolarHBondContact O-OG1 2.94Å; W164-T167 PolarHBondContact O-N 3.47Å; S165-T167 VanDerWaalsContact C-N 3.32Å; T167-D169 PolarHBondContact O-N 2.84Å; T167-H170 CarbonylContact O-C 3.58Å; T167-H170 PolarHBondContact O-N 2.77Å; T167-H170 VanDerWaalsContact O-N 3.08Å; T167-P171 WeakPolarHBondContact O-CA 3.28Å; T167-P171 VanDerWaalsContact O-N 3.1Å; T167-T175 WeakPolarHBondContact OG1-CG2 3.08Å; T167-T175 PolarHBondContact OG1-OG1 3.38Å; T167-K194 HydrophobicContact CG2-CB 3.9Å |
| 168 | A | 89.9 | Confident | 90.8 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 59% | 0.587 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -60.1 | -35.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | W164 S165 W166 | W164-A168 PolarHBondContact O-N 3.02Å; S165-A168 WeakPolarHBondContact O-CB 3.48Å; S165-A168 PolarHBondContact O-N 2.75Å; W166-A168 PolarHBondContact O-N 2.8Å |
| 169 | D | 90.6 | Very high | 90.7 | Very high | 128 Ų | 128 | 47.2 Ų | 47.2 | 68% | 0.684 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -84.1 | -19.1 | 175.1 | -64.2 | -31.7 | 0 | 0 | 0 | 112.8 | W166 T167 P171 | W166-D169 PolarHBondContact O-N 2.81Å; W166-D169 VanDerWaalsContact O-N 3.14Å; T167-D169 PolarHBondContact O-N 2.84Å; D169-P171 VanDerWaalsContact C-CD 3.45Å |
| 170 | H | 89.4 | Confident | 90.5 | Very high | 61 Ų | 61 | 49.3 Ų | 49.3 | 28% | 0.282 | 26% | 0.256 | S | S | . | . | trans | -128.7 | 56.1 | -176.1 | -53.5 | 81.6 | 0 | 0 | 0 | 113.1 | W166 T167 K172 E173 | W166-H170 AromaticContact CD1-CE1 3.89Å; W166-H170 AromaticContact CD1-ND1 3.8Å; W166-H170 HydrophobicContact CD2-CB 4.41Å; W166-H170 AromaticContact CD2-ND1 3.78Å; W166-H170 AromaticContact CE2-CE1 3.87Å; W166-H170 AromaticContact CE2-CG 3.73Å; W166-H170 AromaticContact CE2-ND1 3.45Å; W166-H170 HydrophobicContact CE3-CB 4.28Å; W166-H170 AromaticContact CG-ND1 4Å; W166-H170 HydrophobicContact CH2-CB 3.73Å; W166-H170 HydrophobicContact CZ2-CB 3.88Å; W166-H170 AromaticContact CZ2-CD2 3.98Å; W166-H170 AromaticContact CZ2-CG 3.63Å; W166-H170 AromaticContact CZ2-ND1 3.87Å; W166-H170 HydrophobicContact CZ3-CB 3.95Å; W166-H170 AromaticContact NE1-CE1 3.46Å; W166-H170 PolarHBondContact NE1-CE1 3.42Å; W166-H170 AromaticContact NE1-ND1 3.46Å; W166-H170 PolarHBondContact NE1-ND1 3.36Å; W166-H170 PolarHBondContact O-N 3.22Å; W166-H170 VanDerWaalsContact O-N 3.14Å; W166-H170 PolarHBondContact O-ND1 3.3Å; T167-H170 CarbonylContact O-C 3.58Å; T167-H170 PolarHBondContact O-N 2.77Å; T167-H170 VanDerWaalsContact O-N 3.08Å; H170-K172 PolarHBondContact O-N 2.97Å; H170-E173 HydrophobicContact CB-CB 4.12Å; H170-E173 HydrophobicContact CB-CG 4.12Å; H170-E173 IonicContact CD2-OE1 3.97Å; H170-E173 PolarHBondContact CD2-OE1 2.83Å; H170-E173 PolarHBondContact O-N 3.4Å; H170-E173 VanDerWaalsContact O-N 3.08Å | ||
| 171 | P | 83.7 | Confident | 90.4 | Very high | 101 Ų | 101 | 49.3 Ų | 49.3 | 66% | 0.656 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14.5 | -166.2 | 26.3 | -36.6 | 0 | 0 | 0 | 115.2 | T167 D169 | T167-P171 WeakPolarHBondContact O-CA 3.28Å; T167-P171 VanDerWaalsContact O-N 3.1Å; D169-P171 VanDerWaalsContact C-CD 3.45Å |
| 172 | K | 83.2 | Confident | 90.4 | Very high | 206 Ų | 206 | 49.3 Ų | 49.3 | 90% | 0.896 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -3 | 179.4 | -63.4 | -174.1 | 179.6 | -178 | 0 | 113.4 | H170 | H170-K172 PolarHBondContact O-N 2.97Š|
| 173 | E | 84.9 | Confident | 90.3 | Very high | 81 Ų | 81 | 51.5 Ų | 51.5 | 38% | 0.379 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -94 | 144.2 | -176.2 | -65.8 | -162.1 | -149.9 | 0 | 0 | 111.8 | W166 H170 T175 H178 | W166-E173 HydrophobicContact CH2-CB 3.79Å; W166-E173 HydrophobicContact CZ3-CB 4.35Å; H170-E173 HydrophobicContact CB-CB 4.12Å; H170-E173 HydrophobicContact CB-CG 4.12Å; H170-E173 IonicContact CD2-OE1 3.97Å; H170-E173 PolarHBondContact CD2-OE1 2.83Å; H170-E173 PolarHBondContact O-N 3.4Å; H170-E173 VanDerWaalsContact O-N 3.08Å; E173-T175 PolarHBondContact O-N 3.34Å; E173-H178 HydrophobicContact CB-CB 4.4Å; E173-H178 WeakPolarHBondContact OE2-CB 3.44Å; E173-H178 IonicContact OE2-CE1 3.81Å; E173-H178 IonicContact OE2-CG 3.48Å; E173-H178 IonicContact OE2-ND1 2.85Å; E173-H178 PolarHBondContact OE2-ND1 2.95Å |
| 174 | N | 87.1 | Confident | 90.3 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | trans | -73.1 | 100.3 | 175.9 | -175.7 | -12.6 | 0 | 0 | 0 | 109.7 | L176 H177 H178 Y270 | N174-L176 PolarHBondContact O-N 2.95Å; N174-L176 VanDerWaalsContact O-N 3.11Å; N174-L176 WeakPolarHBondContact OD1-CB 3.5Å; N174-L176 PolarHBondContact OD1-N 3.11Å; N174-L176 VanDerWaalsContact OD1-N 3.08Å; N174-H177 PolarHBondContact O-N 3.44Å; N174-H178 WeakPolarHBondContact O-CB 3.32Å; N174-H178 PolarHBondContact O-N 2.66Å; N174-Y270 PolarHBondContact ND2-OH 3.43Å | ||
| 175 | T | 90.4 | Very high | 90.5 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.2 | -32 | -178.8 | -49.8 | 0 | 0 | 0 | 0 | 113.2 | A163 W166 T167 E173 H177 F179 N182 K194 | A163-T175 HydrophobicContact CB-CG2 3.66Å; W166-T175 HydrophobicContact CE3-CG2 4.34Å; W166-T175 HydrophobicContact CZ3-CG2 4.39Å; T167-T175 WeakPolarHBondContact OG1-CG2 3.08Å; T167-T175 PolarHBondContact OG1-OG1 3.38Å; E173-T175 PolarHBondContact O-N 3.34Å; T175-H177 VanDerWaalsContact C-N 3.27Å; T175-H177 PolarHBondContact O-N 3.25Å; T175-F179 HydrophobicContact CG2-CB 4.18Å; T175-F179 WeakPolarHBondContact O-CB 3.28Å; T175-F179 PolarHBondContact O-N 3.44Å; T175-N182 PolarHBondContact O-ND2 2.92Å; T175-K194 HydrophobicContact CG2-CB 4.45Å |
| 176 | L | 87.6 | Confident | 90.6 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -29.7 | 180 | -63.7 | 174.2 | 0 | 0 | 0 | 112.9 | N174 N182 Y191 K219 L252 | N174-L176 PolarHBondContact O-N 2.95Å; N174-L176 VanDerWaalsContact O-N 3.11Å; N174-L176 WeakPolarHBondContact OD1-CB 3.5Å; N174-L176 PolarHBondContact OD1-N 3.11Å; N174-L176 VanDerWaalsContact OD1-N 3.08Å; L176-N182 VanDerWaalsContact O-CB 3.27Å; L176-N182 WeakPolarHBondContact O-CB 3.29Å; L176-Y191 HydrophobicContact CB-CD1 4.23Å; L176-Y191 HydrophobicContact CB-CE1 4.43Å; L176-Y191 HydrophobicContact CD2-CD1 3.67Å; L176-Y191 HydrophobicContact CD2-CE1 4.41Å; L176-Y191 HydrophobicContact CD2-CG 3.79Å; L176-K219 HydrophobicContact CD1-CD 4.32Å; L176-L252 HydrophobicContact CD1-CD1 4.19Å; L176-L252 HydrophobicContact CD1-CD2 3.73Å |
| 177 | H | 86.8 | Confident | 90.7 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.046 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -109.3 | -33.1 | -174.5 | -78.6 | -150 | 0 | 0 | 0 | 113.1 | N174 T175 Y270 Q273 E303 | N174-H177 PolarHBondContact O-N 3.44Å; T175-H177 VanDerWaalsContact C-N 3.27Å; T175-H177 PolarHBondContact O-N 3.25Å; H177-Y270 AromaticContact CE1-CD1 3.84Å; H177-Y270 AromaticContact CE1-CE1 3.72Å; H177-Y270 AromaticContact NE2-CD1 3.26Å; H177-Y270 VanDerWaalsContact NE2-CD1 3.26Å; H177-Y270 WeakPolarHBondContact NE2-CD1 3.45Å; H177-Y270 AromaticContact NE2-CE1 3.48Å; H177-Y270 WeakPolarHBondContact NE2-CE1 3.41Å; H177-Q273 PolarHBondContact CE1-O 3.4Å; H177-E303 IonicContact CE1-OE1 2.67Å; H177-E303 PolarHBondContact CE1-OE1 3.31Å; H177-E303 IonicContact CE1-OE2 3.95Å; H177-E303 IonicContact CG-OE1 3.43Å; H177-E303 IonicContact ND1-OE1 2.79Å; H177-E303 PolarHBondContact ND1-OE1 3.29Å; H177-E303 IonicContact ND1-OE2 3.16Å |
| 178 | H | 89.2 | Confident | 90.9 | Very high | 83 Ų | 83 | 43.7 Ų | 43.7 | 38% | 0.384 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -94.9 | -25.5 | -171.1 | -68.1 | -168.5 | 0 | 0 | 0 | 113.3 | W166 E173 N174 D180 | W166-H178 HydrophobicContact CH2-CB 3.7Å; W166-H178 HydrophobicContact CZ2-CB 4.24Å; E173-H178 HydrophobicContact CB-CB 4.4Å; E173-H178 WeakPolarHBondContact OE2-CB 3.44Å; E173-H178 IonicContact OE2-CE1 3.81Å; E173-H178 IonicContact OE2-CG 3.48Å; E173-H178 IonicContact OE2-ND1 2.85Å; E173-H178 PolarHBondContact OE2-ND1 2.95Å; N174-H178 WeakPolarHBondContact O-CB 3.32Å; N174-H178 PolarHBondContact O-N 2.66Å; H178-D180 PolarHBondContact O-N 3.2Å |
| 179 | F | 93.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -67.6 | 122.6 | 173.5 | -176.5 | -117.7 | 0 | 0 | 0 | 110.1 | A137 Y138 Q162 A163 W166 T175 G181 N182 F192 | A137-F179 HydrophobicContact CB-CE1 3.71Å; A137-F179 HydrophobicContact CB-CZ 3.61Å; Y138-F179 AromaticContact CD1-CE2 3.81Å; Y138-F179 HydrophobicContact CD1-CE2 3.81Å; Y138-F179 HydrophobicContact CD1-CZ 4.26Å; Y138-F179 AromaticContact CE1-CE2 3.58Å; Y138-F179 HydrophobicContact CE1-CE2 3.58Å; Y138-F179 AromaticContact CE1-CZ 3.9Å; Y138-F179 HydrophobicContact CE1-CZ 3.9Å; Q162-F179 WeakPolarHBondContact O-CZ 3.39Å; A163-F179 HydrophobicContact CB-CD1 3.7Å; A163-F179 HydrophobicContact CB-CD2 4.22Å; A163-F179 HydrophobicContact CB-CE1 3.82Å; A163-F179 HydrophobicContact CB-CE2 4.33Å; A163-F179 HydrophobicContact CB-CG 3.9Å; A163-F179 HydrophobicContact CB-CZ 4.13Å; W166-F179 HydrophobicContact CB-CD2 3.83Å; W166-F179 HydrophobicContact CB-CE2 3.8Å; W166-F179 HydrophobicContact CD2-CB 4.47Å; W166-F179 AromaticContact CD2-CD2 3.76Å; W166-F179 HydrophobicContact CD2-CD2 3.76Å; W166-F179 HydrophobicContact CE3-CB 4.22Å; W166-F179 HydrophobicContact CE3-CD2 4.16Å; W166-F179 AromaticContact CG-CD2 3.58Å; W166-F179 HydrophobicContact CG-CD2 3.58Å; W166-F179 AromaticContact CG-CE2 3.95Å; W166-F179 HydrophobicContact CG-CE2 3.95Å; W166-F179 HydrophobicContact CZ3-CB 4.42Å; T175-F179 HydrophobicContact CG2-CB 4.18Å; T175-F179 WeakPolarHBondContact O-CB 3.28Å; T175-F179 PolarHBondContact O-N 3.44Å; F179-G181 VanDerWaalsContact C-N 3.29Å; F179-G181 PolarHBondContact O-N 3.08Å; F179-N182 WeakPolarHBondContact O-CB 3.25Å; F179-N182 PolarHBondContact O-N 3.38Å; F179-F192 HydrophobicContact CD1-CB 3.97Å; F179-F192 HydrophobicContact CD1-CD2 4.17Å; F179-F192 HydrophobicContact CD1-CG 4.32Å; F179-F192 HydrophobicContact CE1-CB 3.8Å; F179-F192 AromaticContact CE1-CD2 3.74Å; F179-F192 HydrophobicContact CE1-CD2 3.74Å; F179-F192 HydrophobicContact CE1-CE2 4.42Å; F179-F192 AromaticContact CE1-CG 3.79Å; F179-F192 HydrophobicContact CE1-CG 3.79Å |
| 180 | D | 93.1 | Very high | 91.4 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 23% | 0.23 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.3 | -42.1 | -171.4 | -77 | -30.2 | 0 | 0 | 0 | 112.8 | A137 V140 H178 N182 K183 | A137-D180 CarbonylContact O-C 3.49Å; V140-D180 HydrophobicContact CG2-CB 3.86Å; V140-D180 WeakPolarHBondContact CG2-O 3.21Å; H178-D180 PolarHBondContact O-N 3.2Å; D180-N182 PolarHBondContact O-N 2.85Å; D180-N182 VanDerWaalsContact O-N 3.16Å; D180-K183 VanDerWaalsContact O-CB 3.27Å; D180-K183 WeakPolarHBondContact O-CB 3.41Å; D180-K183 PolarHBondContact O-N 3.35Å; D180-K183 WeakPolarHBondContact OD1-CE 3.17Å; D180-K183 IonicContact OD1-NZ 2.87Å; D180-K183 PolarHBondContact OD1-NZ 3.42Å |
| 181 | G | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.8 | -34.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A137 F179 K183 V184 S185 | A137-G181 VanDerWaalsContact O-CA 3.25Å; A137-G181 WeakPolarHBondContact O-CA 3.42Å; A137-G181 PolarHBondContact O-N 3.19Å; F179-G181 VanDerWaalsContact C-N 3.29Å; F179-G181 PolarHBondContact O-N 3.08Å; G181-K183 VanDerWaalsContact C-N 3.31Å; G181-K183 PolarHBondContact O-N 2.99Å; G181-V184 PolarHBondContact O-N 3.46Å; G181-S185 WeakPolarHBondContact O-CB 3.24Å; G181-S185 PolarHBondContact O-N 3.46Å; G181-S185 PolarHBondContact O-OG 2.98Å |
| 182 | N | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71.5 | -25.6 | 178.3 | -72.3 | -22.2 | 0 | 0 | 0 | 112.2 | T175 L176 F179 D180 V184 G186 Y191 F192 Q273 | T175-N182 PolarHBondContact O-ND2 2.92Å; L176-N182 VanDerWaalsContact O-CB 3.27Å; L176-N182 WeakPolarHBondContact O-CB 3.29Å; F179-N182 WeakPolarHBondContact O-CB 3.25Å; F179-N182 PolarHBondContact O-N 3.38Å; D180-N182 PolarHBondContact O-N 2.85Å; D180-N182 VanDerWaalsContact O-N 3.16Å; N182-V184 PolarHBondContact O-N 3.1Å; N182-G186 VanDerWaalsContact O-CA 3.27Å; N182-G186 WeakPolarHBondContact O-CA 3.36Å; N182-G186 PolarHBondContact O-N 2.85Å; N182-Y191 HydrophobicContact CB-CD1 4.12Å; N182-Y191 VanDerWaalsContact OD1-CA 3.29Å; N182-Y191 WeakPolarHBondContact OD1-CA 3.2Å; N182-F192 PolarHBondContact ND2-O 3.48Å; N182-F192 WeakPolarHBondContact OD1-CD2 3.49Å; N182-F192 PolarHBondContact OD1-N 3.34Å; N182-Q273 PolarHBondContact O-NE2 3.02Å |
| 183 | K | 93.7 | Very high | 92.8 | Very high | 62 Ų | 62 | 17.5 Ų | 17.5 | 27% | 0.27 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -62 | -26 | 177 | -60.7 | 176.5 | -177.8 | 162.1 | 0 | 113 | P144 D180 G181 | P144-K183 HydrophobicContact CB-CB 3.89Å; P144-K183 HydrophobicContact CG-CD 4.42Å; D180-K183 VanDerWaalsContact O-CB 3.27Å; D180-K183 WeakPolarHBondContact O-CB 3.41Å; D180-K183 PolarHBondContact O-N 3.35Å; D180-K183 WeakPolarHBondContact OD1-CE 3.17Å; D180-K183 IonicContact OD1-NZ 2.87Å; D180-K183 PolarHBondContact OD1-NZ 3.42Å; G181-K183 VanDerWaalsContact C-N 3.31Å; G181-K183 PolarHBondContact O-N 2.99Å |
| 184 | V | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -103.7 | -51.7 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | V140 P144 L147 G181 N182 G186 V187 | V140-V184 HydrophobicContact CB-CG2 4.03Å; V140-V184 HydrophobicContact CG2-CG2 4.18Å; P144-V184 HydrophobicContact CB-CG2 4.06Å; L147-V184 HydrophobicContact CB-CG1 4.21Å; L147-V184 HydrophobicContact CB-CG2 4.03Å; L147-V184 HydrophobicContact CD1-CG2 4Å; G181-V184 PolarHBondContact O-N 3.46Å; N182-V184 PolarHBondContact O-N 3.1Å; V184-G186 VanDerWaalsContact C-N 3.34Å; V184-G186 PolarHBondContact O-N 3.14Å; V184-V187 WeakPolarHBondContact O-CG2 3.43Å |
| 185 | S | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.1 | -31.8 | -176.4 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | G181 V187 A188 G189 I190 | G181-S185 WeakPolarHBondContact O-CB 3.24Å; G181-S185 PolarHBondContact O-N 3.46Å; G181-S185 PolarHBondContact O-OG 2.98Å; S185-V187 VanDerWaalsContact C-N 3.31Å; S185-V187 PolarHBondContact O-N 3.01Å; S185-A188 PolarHBondContact O-N 3.34Å; S185-A188 VanDerWaalsContact O-N 3.1Å; S185-G189 PolarHBondContact O-N 3.43Å; S185-I190 CarbonylContact C-O 3.59Å; S185-I190 VanDerWaalsContact CB-O 3.28Å; S185-I190 WeakPolarHBondContact CB-O 3.35Å; S185-I190 PolarHBondContact O-N 3.29Å; S185-I190 VanDerWaalsContact O-O 3.1Å; S185-I190 PolarHBondContact OG-O 2.96Å; S185-I190 VanDerWaalsContact OG-O 3.08Å |
| 186 | G | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -62.2 | -35.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N182 V184 A188 G189 I190 G272 | N182-G186 VanDerWaalsContact O-CA 3.27Å; N182-G186 WeakPolarHBondContact O-CA 3.36Å; N182-G186 PolarHBondContact O-N 2.85Å; V184-G186 VanDerWaalsContact C-N 3.34Å; V184-G186 PolarHBondContact O-N 3.14Å; G186-A188 PolarHBondContact O-N 2.91Å; G186-G189 WeakPolarHBondContact O-CA 3.12Å; G186-G189 PolarHBondContact O-N 2.99Å; G186-I190 WeakPolarHBondContact CA-O 3.34Å; G186-I190 PolarHBondContact N-O 3.14Å; G186-I190 VanDerWaalsContact N-O 3.14Å; G186-G272 VanDerWaalsContact O-CA 3.31Å; G186-G272 WeakPolarHBondContact O-CA 3.34Å |
| 187 | V | 94.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 4% | 0.036 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -62.9 | -27.8 | 178.8 | -42.7 | 0 | 0 | 0 | 0 | 112.2 | Y60 V148 M151 V184 S185 G189 Q273 A357 | Y60-V187 HydrophobicContact CD1-CG2 3.83Å; Y60-V187 HydrophobicContact CD2-CB 4.43Å; Y60-V187 HydrophobicContact CD2-CG2 3.99Å; Y60-V187 WeakPolarHBondContact CD2-O 3.38Å; Y60-V187 HydrophobicContact CE1-CG2 3.89Å; Y60-V187 HydrophobicContact CE2-CB 4.16Å; Y60-V187 HydrophobicContact CE2-CG2 4.06Å; Y60-V187 WeakPolarHBondContact CE2-O 3.48Å; Y60-V187 HydrophobicContact CG-CG2 3.87Å; V148-V187 HydrophobicContact CG1-CG1 4.34Å; V148-V187 HydrophobicContact CG1-CG2 4.03Å; V148-V187 HydrophobicContact CG2-CG1 3.85Å; V148-V187 HydrophobicContact CG2-CG2 3.95Å; M151-V187 HydrophobicContact CE-CG2 3.5Å; V184-V187 WeakPolarHBondContact O-CG2 3.43Å; S185-V187 VanDerWaalsContact C-N 3.31Å; S185-V187 PolarHBondContact O-N 3.01Å; V187-G189 VanDerWaalsContact C-N 3.3Å; V187-Q273 HydrophobicContact CG1-CG 4.14Å; V187-A357 WeakPolarHBondContact CG1-O 3.26Å |
| 188 | A | 95 | Very high | 93.9 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -90.9 | 7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S58 I65 M151 S185 G186 | S58-A188 WeakPolarHBondContact CB-O 3.36Å; S58-A188 PolarHBondContact OG-O 2.63Å; I65-A188 HydrophobicContact CG2-CB 3.56Å; M151-A188 HydrophobicContact CE-CB 4.28Å; M151-A188 HydrophobicContact SD-CB 4.46Å; S185-A188 PolarHBondContact O-N 3.34Å; S185-A188 VanDerWaalsContact O-N 3.1Å; G186-A188 PolarHBondContact O-N 2.91Å |
| 189 | G | 94.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 21.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L37 I38 S185 G186 V187 | L37-G189 CarbonylContact C-O 3.55Å; L37-G189 WeakPolarHBondContact CA-O 3.45Å; I38-G189 PolarHBondContact N-O 3.36Å; I38-G189 CarbonylContact O-C 2.89Å; I38-G189 VanDerWaalsContact O-CA 3.27Å; I38-G189 WeakPolarHBondContact O-CA 3.29Å; I38-G189 VanDerWaalsContact O-O 3.06Å; S185-G189 PolarHBondContact O-N 3.43Å; G186-G189 WeakPolarHBondContact O-CA 3.12Å; G186-G189 PolarHBondContact O-N 2.99Å; V187-G189 VanDerWaalsContact C-N 3.3Å |
| 190 | I | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.3 | 175.1 | -53.8 | 174 | 0 | 0 | 0 | 108.7 | L35 L37 A42 A56 I65 V67 S185 G186 | L35-I190 HydrophobicContact CB-CG2 4.39Å; L35-I190 HydrophobicContact CD1-CG2 4.29Å; L37-I190 HydrophobicContact CD2-CB 4.29Å; L37-I190 HydrophobicContact CD2-CG1 3.97Å; L37-I190 HydrophobicContact CD2-CG2 3.83Å; A42-I190 HydrophobicContact CB-CG1 4.03Å; A56-I190 HydrophobicContact CB-CD1 3.85Å; A56-I190 HydrophobicContact CB-CG1 4.35Å; A56-I190 HydrophobicContact CB-CG2 4.18Å; I65-I190 HydrophobicContact CG2-CD1 4.36Å; V67-I190 HydrophobicContact CB-CD1 4.25Å; V67-I190 HydrophobicContact CB-CG2 3.83Å; V67-I190 HydrophobicContact CG1-CG2 3.87Å; V67-I190 HydrophobicContact CG2-CB 3.99Å; V67-I190 HydrophobicContact CG2-CD1 3.62Å; V67-I190 HydrophobicContact CG2-CG1 4.4Å; V67-I190 HydrophobicContact CG2-CG2 3.76Å; S185-I190 CarbonylContact C-O 3.59Å; S185-I190 VanDerWaalsContact CB-O 3.28Å; S185-I190 WeakPolarHBondContact CB-O 3.35Å; S185-I190 PolarHBondContact O-N 3.29Å; S185-I190 VanDerWaalsContact O-O 3.1Å; S185-I190 PolarHBondContact OG-O 2.96Å; S185-I190 VanDerWaalsContact OG-O 3.08Å; G186-I190 WeakPolarHBondContact CA-O 3.34Å; G186-I190 PolarHBondContact N-O 3.14Å; G186-I190 VanDerWaalsContact N-O 3.14Å |
| 191 | Y | 96.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.8 | 176 | -58.3 | -101.4 | 0 | 0 | 0 | 111.3 | L35 L36 I38 L176 N182 S193 L252 G272 | L35-Y191 CarbonylContact C-O 3.59Å; L35-Y191 VanDerWaalsContact CA-O 3.28Å; L35-Y191 WeakPolarHBondContact CA-O 3.21Å; L36-Y191 PolarHBondContact N-O 3.34Å; L36-Y191 PolarHBondContact O-N 3.35Å; I38-Y191 HydrophobicContact CD1-CE2 3.51Å; I38-Y191 WeakPolarHBondContact CD1-OH 3.45Å; I38-Y191 HydrophobicContact CG1-CE2 3.74Å; I38-Y191 HydrophobicContact CG2-CD2 4.46Å; I38-Y191 HydrophobicContact CG2-CE2 4.17Å; L176-Y191 HydrophobicContact CB-CD1 4.23Å; L176-Y191 HydrophobicContact CB-CE1 4.43Å; L176-Y191 HydrophobicContact CD2-CD1 3.67Å; L176-Y191 HydrophobicContact CD2-CE1 4.41Å; L176-Y191 HydrophobicContact CD2-CG 3.79Å; N182-Y191 HydrophobicContact CB-CD1 4.12Å; N182-Y191 VanDerWaalsContact OD1-CA 3.29Å; N182-Y191 WeakPolarHBondContact OD1-CA 3.2Å; Y191-S193 PolarHBondContact O-N 2.91Å; Y191-L252 HydrophobicContact CD2-CD1 4.27Å; Y191-L252 HydrophobicContact CE2-CD1 3.86Å; Y191-G272 WeakPolarHBondContact OH-CA 3.29Å; Y191-G272 PolarHBondContact OH-N 2.71Å; Y191-G272 PolarHBondContact OH-O 3.08Å |
| 192 | F | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 116.4 | 159.8 | -59.8 | -88.7 | 0 | 0 | 0 | 109 | L35 V67 L68 A137 I159 G161 A163 F179 N182 | L35-F192 HydrophobicContact CD2-CD1 3.5Å; L35-F192 VanDerWaalsContact CD2-CD1 3.5Å; L35-F192 HydrophobicContact CD2-CE1 3.87Å; L35-F192 HydrophobicContact CD2-CG 4.06Å; V67-F192 HydrophobicContact CG1-CD2 4.49Å; V67-F192 HydrophobicContact CG1-CE1 3.68Å; V67-F192 HydrophobicContact CG1-CE2 3.69Å; V67-F192 HydrophobicContact CG1-CZ 3.23Å; L68-F192 WeakPolarHBondContact O-CE1 3.03Å; A137-F192 HydrophobicContact CB-CE2 4.05Å; A137-F192 HydrophobicContact CB-CZ 4.02Å; I159-F192 HydrophobicContact CD1-CE2 4.43Å; I159-F192 HydrophobicContact CG1-CZ 4.46Å; I159-F192 HydrophobicContact CG2-CE2 4.47Å; I159-F192 HydrophobicContact CG2-CZ 4.37Å; G161-F192 WeakPolarHBondContact O-CD1 3.31Å; G161-F192 WeakPolarHBondContact O-CE1 3.09Å; A163-F192 HydrophobicContact CB-CB 3.5Å; A163-F192 VanDerWaalsContact CB-CB 3.5Å; F179-F192 HydrophobicContact CD1-CB 3.97Å; F179-F192 HydrophobicContact CD1-CD2 4.17Å; F179-F192 HydrophobicContact CD1-CG 4.32Å; F179-F192 HydrophobicContact CE1-CB 3.8Å; F179-F192 AromaticContact CE1-CD2 3.74Å; F179-F192 HydrophobicContact CE1-CD2 3.74Å; F179-F192 HydrophobicContact CE1-CE2 4.42Å; F179-F192 AromaticContact CE1-CG 3.79Å; F179-F192 HydrophobicContact CE1-CG 3.79Å; N182-F192 PolarHBondContact ND2-O 3.48Å; N182-F192 WeakPolarHBondContact OD1-CD2 3.49Å; N182-F192 PolarHBondContact OD1-N 3.34Å |
| 193 | S | 93.8 | Very high | 93.6 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 162.9 | 176.2 | 83.1 | 0 | 0 | 0 | 0 | 112 | S33 D34 Y191 N195 | S33-S193 PolarHBondContact OG-O 3.05Å; D34-S193 WeakPolarHBondContact O-CB 3.44Å; D34-S193 PolarHBondContact O-N 2.64Å; D34-S193 VanDerWaalsContact O-N 3.08Å; D34-S193 PolarHBondContact O-OG 2.97Å; Y191-S193 PolarHBondContact O-N 2.91Å; S193-N195 PolarHBondContact O-N 3.11Å; S193-N195 PolarHBondContact OG-N 3.12Å |
| 194 | K | 91.9 | Very high | 93.5 | Very high | 109 Ų | 109 | 33.2 Ų | 33.2 | 47% | 0.474 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | -5.6 | 172.7 | 67.8 | 178.6 | 179.8 | -176.5 | 0 | 114 | W164 T167 T175 D220 | W164-K194 WeakPolarHBondContact CB-O 3.42Å; T167-K194 HydrophobicContact CG2-CB 3.9Å; T175-K194 HydrophobicContact CG2-CB 4.45Å; K194-D220 IonicContact NZ-OD2 3.94Å |
| 195 | N | 92.1 | Very high | 93.3 | Very high | 76 Ų | 76 | 39.5 Ų | 39.5 | 41% | 0.406 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.4 | -173.9 | -57.1 | -42.5 | 0 | 0 | 0 | 110.3 | D34 S193 | D34-N195 HydrophobicContact CB-CB 4.45Å; D34-N195 PolarHBondContact N-O 3.1Å; S193-N195 PolarHBondContact O-N 3.11Å; S193-N195 PolarHBondContact OG-N 3.12Å |
| 196 | P | 93.1 | Very high | 92.9 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 42% | 0.422 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 141.5 | 167 | 29.5 | -32.6 | 0 | 0 | 0 | 109.9 | V31 P32 Q52 W164 | V31-P196 HydrophobicContact CG1-CB 3.73Å; P32-P196 CarbonylContact O-C 3.52Å; P32-P196 WeakPolarHBondContact O-CA 3.42Å; Q52-P196 PolarHBondContact NE2-O 3.36Å; W164-P196 HydrophobicContact CD2-CB 4.16Å; W164-P196 HydrophobicContact CG-CB 4.02Å |
| 197 | A | 92.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -88.3 | 148.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P32 D34 Q52 L54 | P32-A197 HydrophobicContact CG-CB 4.1Å; P32-A197 PolarHBondContact O-N 3.48Å; D34-A197 HydrophobicContact CB-CB 4.25Å; Q52-A197 HydrophobicContact CB-CB 4.08Å; L54-A197 HydrophobicContact CG-CB 4.29Å |
| 198 | E | 90.8 | Very high | 92.6 | Very high | 105 Ų | 105 | 49.7 Ų | 49.7 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 134.6 | 174.3 | -68.6 | -177.9 | -154.1 | 0 | 0 | 110.9 | N48 K50 | N48-E198 PolarHBondContact ND2-O 3.36Å; K50-E198 VanDerWaalsContact CE-CD 3.46Å; K50-E198 VanDerWaalsContact CE-OE1 3.32Å; K50-E198 WeakPolarHBondContact CE-OE1 3.38Å; K50-E198 WeakPolarHBondContact CE-OE2 3.29Å; K50-E198 IonicContact NZ-OE2 3.3Å |
| 199 | E | 85.8 | Confident | 92.4 | Very high | 88 Ų | 88 | 50.5 Ų | 50.5 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 130.9 | 178 | -63.1 | 175.7 | -165.1 | 0 | 0 | 111.5 | F26 | F26-E199 WeakPolarHBondContact O-CG 3.47Š|
| 200 | E | 92.3 | Very high | 92.2 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | trans | -148 | 153.8 | 179.5 | -166.8 | 175 | 161 | 0 | 0 | 109.8 | F26 N48 S49 L202 | F26-E200 VanDerWaalsContact CB-O 3.29Å; F26-E200 WeakPolarHBondContact CB-O 3.45Å; F26-E200 WeakPolarHBondContact CD2-O 3.31Å; F26-E200 PolarHBondContact N-O 2.98Å; F26-E200 VanDerWaalsContact N-O 3.08Å; N48-E200 HydrophobicContact CB-CB 4.36Å; N48-E200 WeakPolarHBondContact CB-OE2 3.35Å; S49-E200 VanDerWaalsContact CB-OE2 3.23Å; S49-E200 WeakPolarHBondContact CB-OE2 3.2Å; S49-E200 PolarHBondContact N-OE2 2.98Å; S49-E200 PolarHBondContact OG-OE2 3.5Å; E200-L202 HydrophobicContact CB-CD2 3.78Å; E200-L202 HydrophobicContact CB-CG 4.33Å; E200-L202 VanDerWaalsContact CD-CD2 3.43Å; E200-L202 HydrophobicContact CG-CD2 3.62Å | ||
| 201 | N | 93.4 | Very high | 91.8 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 114.7 | 165.1 | -177.3 | 26.6 | 0 | 0 | 0 | 108.7 | E23 L24 D25 | E23-N201 PolarHBondContact OE2-ND2 2.97Å; L24-N201 PolarHBondContact O-OD1 3.35Å; D25-N201 WeakPolarHBondContact CA-OD1 3.39Å |
| 202 | L | 93.8 | Very high | 91.4 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120 | -170 | -60.9 | -176 | 0 | 0 | 0 | 111.6 | E23 L24 F26 A46 M47 N48 L54 E200 | E23-L202 CarbonylContact C-O 3.52Å; E23-L202 VanDerWaalsContact CA-O 3.26Å; E23-L202 WeakPolarHBondContact CA-O 3.45Å; L24-L202 PolarHBondContact N-O 3.21Å; L24-L202 PolarHBondContact O-N 3.16Å; F26-L202 HydrophobicContact CD2-CD1 3.97Å; F26-L202 HydrophobicContact CD2-CG 4Å; F26-L202 HydrophobicContact CE2-CB 4.22Å; F26-L202 HydrophobicContact CE2-CD1 3.64Å; F26-L202 HydrophobicContact CE2-CG 3.98Å; A46-L202 HydrophobicContact CB-CD1 4.2Å; M47-L202 WeakPolarHBondContact O-CD1 3.37Å; N48-L202 HydrophobicContact CB-CD1 4.33Å; N48-L202 HydrophobicContact CB-CD2 4.23Å; L54-L202 HydrophobicContact CD1-CD1 4.36Å; E200-L202 HydrophobicContact CB-CD2 3.78Å; E200-L202 HydrophobicContact CB-CG 4.33Å; E200-L202 VanDerWaalsContact CD-CD2 3.43Å; E200-L202 HydrophobicContact CG-CD2 3.62Å |
| 203 | P | 93.6 | Very high | 91 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 144 | 168.6 | 28.8 | -33 | 0 | 0 | 0 | 110.8 | Y205 | P203-Y205 HydrophobicContact CB-CE2 4.3Å; P203-Y205 HydrophobicContact CG-CE2 3.69Å; P203-Y205 WeakPolarHBondContact CG-OH 3.23Å |
| 204 | V | 92.5 | Very high | 90.5 | Very high | 32 Ų | 32 | 58.9 Ų | 58.9 | 19% | 0.194 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 118.6 | 177 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | M18 V21 K22 L24 | M18-V204 HydrophobicContact CB-CG1 3.82Å; M18-V204 HydrophobicContact CE-CB 4.06Å; M18-V204 HydrophobicContact CE-CG1 3.49Å; M18-V204 VanDerWaalsContact CE-CG1 3.49Å; M18-V204 HydrophobicContact CE-CG2 3.33Å; M18-V204 HydrophobicContact CG-CG1 4.21Å; V21-V204 HydrophobicContact CB-CG2 4.37Å; V21-V204 HydrophobicContact CG1-CG2 3.87Å; V21-V204 WeakPolarHBondContact O-CB 3.24Å; K22-V204 PolarHBondContact O-N 2.98Å; L24-V204 HydrophobicContact CD1-CG2 4.25Å; L24-V204 HydrophobicContact CG-CG2 4.21Å |
| 205 | Y | 89.6 | Confident | 89.9 | Confident | 133 Ų | 133 | 53.7 Ų | 53.7 | 52% | 0.522 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 162.9 | 178 | -66.8 | -72 | 0 | 0 | 0 | 111.3 | Y14 P203 Q207 | Y14-Y205 VanDerWaalsContact CE1-O 3.25Å; Y14-Y205 WeakPolarHBondContact CE1-O 3.44Å; Y14-Y205 PolarHBondContact OH-O 3.12Å; P203-Y205 HydrophobicContact CB-CE2 4.3Å; P203-Y205 HydrophobicContact CG-CE2 3.69Å; P203-Y205 WeakPolarHBondContact CG-OH 3.23Å; Y205-Q207 VanDerWaalsContact C-N 3.25Å; Y205-Q207 PolarHBondContact O-N 2.84Å |
| 206 | P | 87.8 | Confident | 89.5 | Confident | 89 Ų | 89 | 52.7 Ų | 52.7 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -71.6 | -17.9 | 177.6 | 26 | -32.6 | 0 | 0 | 0 | 113.5 | Q11 L15 | Q11-P206 PolarHBondContact NE2-O 2.9Å; L15-P206 WeakPolarHBondContact CD2-O 3.5Å |
| 207 | Q | 90.2 | Very high | 89 | Confident | 102 Ų | 102 | 51 Ų | 51 | 48% | 0.477 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -101.2 | 151.5 | 178.4 | 68.3 | -80.6 | 12.3 | 0 | 0 | 112.4 | Y14 Y205 | Y14-Q207 WeakPolarHBondContact CE1-O 3.44Å; Y205-Q207 VanDerWaalsContact C-N 3.25Å; Y205-Q207 PolarHBondContact O-N 2.84Å |
| 208 | I | 92.6 | Very high | 88.4 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 129.6 | 169 | -64.7 | 171.9 | 0 | 0 | 0 | 108.9 | H10 Y14 F43 P44 | H10-I208 HydrophobicContact CB-CD1 3.73Å; Y14-I208 HydrophobicContact CD1-CG1 4.29Å; Y14-I208 HydrophobicContact CD2-CG1 3.96Å; Y14-I208 HydrophobicContact CG-CG1 3.71Å; F43-I208 HydrophobicContact CB-CD1 4.3Å; F43-I208 HydrophobicContact CD2-CD1 4.24Å; F43-I208 HydrophobicContact CG-CD1 4.43Å; P44-I208 HydrophobicContact CG-CG2 3.77Å |
| 209 | P | 91.8 | Very high | 88.3 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 139.4 | -176.6 | 27 | -34.2 | 0 | 0 | 0 | 111.2 | P44 M47 | P44-P209 HydrophobicContact CB-CG 4.11Å; P44-P209 HydrophobicContact CG-CG 4.01Å; P44-P209 WeakPolarHBondContact CG-O 3.26Å; M47-P209 HydrophobicContact CB-CB 3.92Å; M47-P209 HydrophobicContact CB-CG 4.05Å |
| 210 | S | 90 | Very high | 88.3 | Confident | 65 Ų | 65 | 48.5 Ų | 48.5 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | trans | -141.3 | 140.4 | -178.3 | 72.7 | 0 | 0 | 0 | 0 | 111.9 | Q470 | S210-Q470 VanDerWaalsContact CB-OE1 3.23Š| ||
| 211 | S | 89.3 | Confident | 88.3 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 16% | 0.161 | 26% | 0.257 | C | S | . | . | trans | -149 | 141 | 176.8 | 179.2 | 0 | 0 | 0 | 0 | 112.5 | M213 A214 Q470 | S211-M213 PolarHBondContact O-N 3Å; S211-M213 VanDerWaalsContact O-N 3.11Å; S211-M213 PolarHBondContact OG-N 2.77Å; S211-M213 VanDerWaalsContact OG-N 3.14Å; S211-A214 WeakPolarHBondContact O-CB 3.45Å; S211-A214 PolarHBondContact O-N 3.31Å; S211-Q470 VanDerWaalsContact O-CD 3.31Å; S211-Q470 PolarHBondContact O-NE2 2.86Å | ||
| 212 | Y | 85.7 | Confident | 88.2 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 14% | 0.141 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -59.2 | -22.2 | 170.9 | 75.9 | -92 | 0 | 0 | 0 | 112.6 | A214 V215 H427 A430 K431 T434 | Y212-A214 PolarHBondContact O-N 3.49Å; Y212-V215 PolarHBondContact O-N 3.48Å; Y212-H427 PolarHBondContact O-ND1 3.22Å; Y212-A430 HydrophobicContact CD2-CB 3.58Å; Y212-A430 HydrophobicContact CE2-CB 4.38Å; Y212-A430 HydrophobicContact CG-CB 4.05Å; Y212-K431 HydrophobicContact CE2-CG 4.15Å; Y212-T434 HydrophobicContact CD1-CG2 4.24Å; Y212-T434 HydrophobicContact CE1-CG2 3.84Å; Y212-T434 HydrophobicContact CE2-CG2 4.42Å; Y212-T434 PolarHBondContact OH-OG1 3.04Å |
| 213 | M | 87.7 | Confident | 88.2 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -71.8 | -19.2 | 176.3 | -60.1 | -174 | 65.1 | 0 | 0 | 112.6 | K50 S211 V215 V216 | K50-M213 HydrophobicContact CB-CE 4.3Å; K50-M213 HydrophobicContact CD-CE 4.04Å; K50-M213 WeakPolarHBondContact O-CB 3.11Å; S211-M213 PolarHBondContact O-N 3Å; S211-M213 VanDerWaalsContact O-N 3.11Å; S211-M213 PolarHBondContact OG-N 2.77Å; S211-M213 VanDerWaalsContact OG-N 3.14Å; M213-V215 VanDerWaalsContact C-N 3.31Å; M213-V216 WeakPolarHBondContact O-CG1 3.31Å |
| 214 | A | 83.4 | Confident | 88.2 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -82.3 | -4.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M47 G51 S211 Y212 V216 | M47-A214 HydrophobicContact CE-CB 3.8Å; M47-A214 HydrophobicContact SD-CB 4.06Å; G51-A214 WeakPolarHBondContact O-CB 3.47Å; S211-A214 WeakPolarHBondContact O-CB 3.45Å; S211-A214 PolarHBondContact O-N 3.31Å; Y212-A214 PolarHBondContact O-N 3.49Å; A214-V216 PolarHBondContact O-N 2.86Å |
| 215 | V | 81.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -85.1 | 46.2 | 178.6 | -167.4 | 0 | 0 | 0 | 0 | 111.2 | Y212 M213 R423 L426 H427 Q470 T474 | Y212-V215 PolarHBondContact O-N 3.48Å; M213-V215 VanDerWaalsContact C-N 3.31Å; V215-R423 HydrophobicContact CG1-CB 4.3Å; V215-R423 HydrophobicContact CG1-CG 4.5Å; V215-L426 HydrophobicContact CG1-CD2 3.87Å; V215-L426 HydrophobicContact CG1-CG 4.22Å; V215-H427 WeakPolarHBondContact O-CB 3.41Å; V215-Q470 HydrophobicContact CG2-CG 3.93Å; V215-T474 HydrophobicContact CG2-CG2 4.34Å; V215-T474 WeakPolarHBondContact CG2-OG1 3.42Å | ||
| 216 | V | 82 | Confident | 88.6 | Confident | 56 Ų | 56 | 47 Ų | 47 | 34% | 0.339 | 26% | 0.262 | S | S | . | . | trans | -97.3 | 168.9 | -178.5 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | M213 A214 R423 | M213-V216 WeakPolarHBondContact O-CG1 3.31Å; A214-V216 PolarHBondContact O-N 2.86Å; V216-R423 PolarHBondContact O-NE 3.37Å; V216-R423 VanDerWaalsContact O-NE 3.12Å | ||
| 217 | V | 83.6 | Confident | 89 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | trans | -79.7 | 136.7 | 165.5 | -170.3 | 0 | 0 | 0 | 0 | 107.5 | K219 F221 I416 H424 | V217-K219 WeakPolarHBondContact CG1-O 3.5Å; V217-F221 HydrophobicContact CG1-CD2 4.36Å; V217-F221 HydrophobicContact CG1-CE2 3.57Å; V217-F221 HydrophobicContact CG1-CZ 4.44Å; V217-I416 HydrophobicContact CG2-CG2 4.02Å; V217-H424 HydrophobicContact CG2-CB 3.84Å | ||
| 218 | G | 79.9 | Confident | 89.3 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -84.2 | -13.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | P251 | G218-P251 WeakPolarHBondContact CA-O 3.09Å; G218-P251 PolarHBondContact N-O 3.1Å |
| 219 | K | 87.6 | Confident | 89.5 | Confident | 38 Ų | 38 | 42 Ų | 42 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | trans | -152.2 | 158.9 | -179.3 | -165.7 | -175.6 | 175.6 | -170.7 | 0 | 110.2 | L176 V217 F221 D224 L252 Y270 | L176-K219 HydrophobicContact CD1-CD 4.32Å; V217-K219 WeakPolarHBondContact CG1-O 3.5Å; K219-F221 HydrophobicContact CB-CD1 4.09Å; K219-F221 HydrophobicContact CB-CD2 4.37Å; K219-F221 HydrophobicContact CB-CE1 3.83Å; K219-F221 HydrophobicContact CB-CE2 4.16Å; K219-F221 HydrophobicContact CB-CG 4.36Å; K219-F221 HydrophobicContact CB-CZ 3.88Å; K219-F221 HydrophobicContact CD-CD1 3.89Å; K219-F221 HydrophobicContact CD-CE1 4.12Å; K219-F221 HydrophobicContact CG-CD1 4.29Å; K219-F221 HydrophobicContact CG-CE1 4.45Å; K219-F221 VanDerWaalsContact O-CD2 3.29Å; K219-F221 WeakPolarHBondContact O-CD2 3.33Å; K219-F221 VanDerWaalsContact O-CE2 3.27Å; K219-F221 WeakPolarHBondContact O-CE2 3.48Å; K219-D224 WeakPolarHBondContact CE-OD2 3.3Å; K219-D224 IonicContact NZ-OD1 3.75Å; K219-D224 IonicContact NZ-OD2 2.64Å; K219-D224 PolarHBondContact NZ-OD2 3.41Å; K219-L252 HydrophobicContact CB-CD2 4.38Å; K219-Y270 PolarHBondContact NZ-OH 2.85Å | ||
| 220 | D | 86.7 | Confident | 89.7 | Confident | 79 Ų | 79 | 45.9 Ų | 45.9 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | trans | -79.6 | -26.2 | 172.8 | 45.9 | 36.3 | 0 | 0 | 0 | 113.7 | K194 E222 | K194-D220 IonicContact NZ-OD2 3.94Å; D220-E222 PolarHBondContact O-N 2.93Å | ||
| 221 | F | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | 60.2 | 14.8 | 179.7 | -50.2 | -79.6 | 0 | 0 | 0 | 115.3 | V217 K219 D223 D224 L225 F254 Y270 I416 | V217-F221 HydrophobicContact CG1-CD2 4.36Å; V217-F221 HydrophobicContact CG1-CE2 3.57Å; V217-F221 HydrophobicContact CG1-CZ 4.44Å; K219-F221 HydrophobicContact CB-CD1 4.09Å; K219-F221 HydrophobicContact CB-CD2 4.37Å; K219-F221 HydrophobicContact CB-CE1 3.83Å; K219-F221 HydrophobicContact CB-CE2 4.16Å; K219-F221 HydrophobicContact CB-CG 4.36Å; K219-F221 HydrophobicContact CB-CZ 3.88Å; K219-F221 HydrophobicContact CD-CD1 3.89Å; K219-F221 HydrophobicContact CD-CE1 4.12Å; K219-F221 HydrophobicContact CG-CD1 4.29Å; K219-F221 HydrophobicContact CG-CE1 4.45Å; K219-F221 VanDerWaalsContact O-CD2 3.29Å; K219-F221 WeakPolarHBondContact O-CD2 3.33Å; K219-F221 VanDerWaalsContact O-CE2 3.27Å; K219-F221 WeakPolarHBondContact O-CE2 3.48Å; F221-D223 PolarHBondContact O-N 3.42Å; F221-D224 HydrophobicContact CB-CB 4.41Å; F221-D224 WeakPolarHBondContact O-CB 3.28Å; F221-D224 PolarHBondContact O-N 2.84Å; F221-L225 PolarHBondContact O-N 2.94Å; F221-F254 HydrophobicContact CB-CB 4.2Å; F221-F254 HydrophobicContact CB-CD1 4.28Å; F221-F254 HydrophobicContact CB-CD2 4.21Å; F221-F254 HydrophobicContact CB-CG 3.99Å; F221-F254 HydrophobicContact CD1-CB 4.19Å; F221-F254 AromaticContact CD1-CD1 3.24Å; F221-F254 HydrophobicContact CD1-CD1 3.24Å; F221-F254 AromaticContact CD1-CE1 3.67Å; F221-F254 HydrophobicContact CD1-CE1 3.67Å; F221-F254 AromaticContact CD1-CG 3.79Å; F221-F254 HydrophobicContact CD1-CG 3.79Å; F221-F254 HydrophobicContact CD1-CZ 4.5Å; F221-F254 HydrophobicContact CD2-CB 3.56Å; F221-F254 HydrophobicContact CD2-CD1 4.22Å; F221-F254 HydrophobicContact CD2-CG 4.07Å; F221-F254 HydrophobicContact CE1-CB 4.44Å; F221-F254 AromaticContact CE1-CD1 3.42Å; F221-F254 HydrophobicContact CE1-CD1 3.42Å; F221-F254 VanDerWaalsContact CE1-CD1 3.42Å; F221-F254 AromaticContact CE1-CE1 3.99Å; F221-F254 HydrophobicContact CE1-CE1 3.99Å; F221-F254 HydrophobicContact CE1-CG 4.22Å; F221-F254 HydrophobicContact CE2-CB 3.81Å; F221-F254 HydrophobicContact CE2-CD1 4.33Å; F221-F254 HydrophobicContact CE2-CG 4.44Å; F221-F254 HydrophobicContact CG-CB 3.74Å; F221-F254 AromaticContact CG-CD1 3.68Å; F221-F254 HydrophobicContact CG-CD1 3.68Å; F221-F254 HydrophobicContact CG-CD2 4.4Å; F221-F254 HydrophobicContact CG-CE1 4.37Å; F221-F254 AromaticContact CG-CG 3.69Å; F221-F254 HydrophobicContact CG-CG 3.69Å; F221-F254 HydrophobicContact CZ-CB 4.24Å; F221-F254 AromaticContact CZ-CD1 3.96Å; F221-F254 HydrophobicContact CZ-CD1 3.96Å; F221-Y270 HydrophobicContact CD1-CD2 4.5Å; F221-Y270 HydrophobicContact CD1-CE2 4.26Å; F221-Y270 HydrophobicContact CE1-CD2 4.06Å; F221-Y270 HydrophobicContact CE1-CE2 4.26Å; F221-I416 HydrophobicContact CD2-CD1 4.07Å; F221-I416 HydrophobicContact CD2-CG1 4.27Å | ||
| 222 | E | 92.8 | Very high | 90.1 | Very high | 88 Ų | 88 | 45.7 Ų | 45.7 | 41% | 0.411 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.4 | -50.6 | -178.2 | -177.4 | 170.9 | 178.9 | 0 | 0 | 111.1 | D220 D224 L225 Q226 P412 | D220-E222 PolarHBondContact O-N 2.93Å; E222-D224 VanDerWaalsContact C-N 3.27Å; E222-D224 PolarHBondContact O-N 3.37Å; E222-L225 PolarHBondContact O-N 2.79Å; E222-Q226 WeakPolarHBondContact O-CB 3.18Å; E222-Q226 PolarHBondContact O-N 3.32Å; E222-P412 HydrophobicContact CG-CB 4.19Å |
| 223 | D | 91.9 | Very high | 90.5 | Very high | 119 Ų | 119 | 48.5 Ų | 48.5 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.8 | -34.4 | 178.2 | -64.5 | -30.9 | 0 | 0 | 0 | 112.8 | F221 F227 | F221-D223 PolarHBondContact O-N 3.42Å; D223-F227 WeakPolarHBondContact O-CB 3.37Å; D223-F227 PolarHBondContact O-N 3.17Å |
| 224 | D | 94.4 | Very high | 90.8 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.043 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -48.3 | 178.4 | -68.1 | -65.5 | 0 | 0 | 0 | 111.3 | K219 F221 E222 Q226 F227 L228 F254 Y270 W300 | K219-D224 WeakPolarHBondContact CE-OD2 3.3Å; K219-D224 IonicContact NZ-OD1 3.75Å; K219-D224 IonicContact NZ-OD2 2.64Å; K219-D224 PolarHBondContact NZ-OD2 3.41Å; F221-D224 HydrophobicContact CB-CB 4.41Å; F221-D224 WeakPolarHBondContact O-CB 3.28Å; F221-D224 PolarHBondContact O-N 2.84Å; E222-D224 VanDerWaalsContact C-N 3.27Å; E222-D224 PolarHBondContact O-N 3.37Å; D224-Q226 VanDerWaalsContact C-N 3.32Å; D224-F227 PolarHBondContact O-N 2.97Å; D224-L228 WeakPolarHBondContact O-CB 3.4Å; D224-L228 WeakPolarHBondContact O-CG 3.29Å; D224-L228 PolarHBondContact O-N 3.2Å; D224-F254 HydrophobicContact CB-CE2 4.28Å; D224-F254 HydrophobicContact CB-CZ 4.01Å; D224-Y270 VanDerWaalsContact CG-OH 3.25Å; D224-Y270 PolarHBondContact OD1-OH 3.14Å; D224-Y270 WeakPolarHBondContact OD2-CE2 3.22Å; D224-Y270 PolarHBondContact OD2-OH 3.2Å; D224-W300 PolarHBondContact OD1-NE1 2.93Å |
| 225 | L | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 178.2 | -73.4 | 170.9 | 0 | 0 | 0 | 111 | F221 E222 F227 L228 L229 F254 I256 P412 A415 | F221-L225 PolarHBondContact O-N 2.94Å; E222-L225 PolarHBondContact O-N 2.79Å; L225-F227 VanDerWaalsContact C-N 3.31Å; L225-F227 PolarHBondContact O-N 3.2Å; L225-L228 PolarHBondContact O-N 3.34Å; L225-L229 HydrophobicContact CB-CD1 4.41Å; L225-L229 HydrophobicContact CD2-CD1 4.21Å; L225-L229 WeakPolarHBondContact O-CB 3.5Å; L225-L229 WeakPolarHBondContact O-CG 3.16Å; L225-L229 PolarHBondContact O-N 3.12Å; L225-F254 HydrophobicContact CD2-CD2 3.96Å; L225-F254 HydrophobicContact CD2-CE2 3.99Å; L225-F254 HydrophobicContact CG-CD2 4.16Å; L225-F254 HydrophobicContact CG-CE2 4.25Å; L225-I256 HydrophobicContact CD2-CG1 4.27Å; L225-P412 HydrophobicContact CB-CB 3.79Å; L225-P412 HydrophobicContact CB-CG 4.11Å; L225-A415 HydrophobicContact CD1-CB 3.31Å |
| 226 | Q | 95.8 | Very high | 91.9 | Very high | 105 Ų | 105 | 50.9 Ų | 50.9 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 174.1 | -171.6 | 61.1 | 62.9 | 0 | 0 | 111.6 | E222 D224 D230 P412 | E222-Q226 WeakPolarHBondContact O-CB 3.18Å; E222-Q226 PolarHBondContact O-N 3.32Å; D224-Q226 VanDerWaalsContact C-N 3.32Å; Q226-D230 PolarHBondContact O-N 3.41Å; Q226-P412 HydrophobicContact CB-CB 4.44Å; Q226-P412 HydrophobicContact CB-CG 4.43Å |
| 227 | F | 95.6 | Very high | 92.5 | Very high | 102 Ų | 102 | 48.3 Ų | 48.3 | 45% | 0.447 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.3 | -47.1 | 175 | -174.9 | -82.4 | 0 | 0 | 0 | 112.1 | D223 D224 L225 N296 H299 W300 | D223-F227 WeakPolarHBondContact O-CB 3.37Å; D223-F227 PolarHBondContact O-N 3.17Å; D224-F227 PolarHBondContact O-N 2.97Å; L225-F227 VanDerWaalsContact C-N 3.31Å; L225-F227 PolarHBondContact O-N 3.2Å; F227-N296 WeakPolarHBondContact CE1-O 3.5Å; F227-N296 PolarHBondContact O-ND2 3.34Å; F227-H299 HydrophobicContact CE1-CB 4.29Å; F227-H299 HydrophobicContact CZ-CB 4.1Å; F227-W300 HydrophobicContact CD1-CB 3.81Å; F227-W300 AromaticContact CD1-CD1 3.85Å; F227-W300 HydrophobicContact CD1-CG 4.21Å; F227-W300 HydrophobicContact CE1-CB 3.65Å; F227-W300 HydrophobicContact CE1-CG 4.44Å |
| 228 | L | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68 | -39 | -175.8 | -73.2 | 167.8 | 0 | 0 | 0 | 112.3 | D224 L225 F254 I256 I277 F293 N296 A297 W300 | D224-L228 WeakPolarHBondContact O-CB 3.4Å; D224-L228 WeakPolarHBondContact O-CG 3.29Å; D224-L228 PolarHBondContact O-N 3.2Å; L225-L228 PolarHBondContact O-N 3.34Å; L228-F254 HydrophobicContact CD1-CE2 3.86Å; L228-F254 HydrophobicContact CD1-CZ 4.03Å; L228-I256 HydrophobicContact CD1-CD1 3.89Å; L228-I256 HydrophobicContact CD1-CG1 4.28Å; L228-I277 HydrophobicContact CD2-CD1 4.01Å; L228-F293 HydrophobicContact CB-CE2 4.2Å; L228-F293 HydrophobicContact CD2-CE2 4.39Å; L228-N296 WeakPolarHBondContact O-CB 3.41Å; L228-N296 PolarHBondContact O-ND2 2.94Å; L228-N296 VanDerWaalsContact O-ND2 3.14Å; L228-A297 HydrophobicContact CD2-CB 4.25Å; L228-W300 HydrophobicContact CD1-CD2 4.43Å; L228-W300 HydrophobicContact CD2-CB 3.7Å; L228-W300 HydrophobicContact CD2-CD2 4.07Å; L228-W300 HydrophobicContact CD2-CE3 4.35Å; L228-W300 HydrophobicContact CD2-CG 3.8Å; L228-W300 HydrophobicContact CG-CD2 4.47Å; L228-W300 HydrophobicContact CG-CG 4.22Å |
| 229 | L | 96.6 | Very high | 93.3 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 8 | -174.6 | -57.2 | 174.5 | 0 | 0 | 0 | 113.4 | L225 G231 V232 L235 I256 F293 A409 L410 | L225-L229 HydrophobicContact CB-CD1 4.41Å; L225-L229 HydrophobicContact CD2-CD1 4.21Å; L225-L229 WeakPolarHBondContact O-CB 3.5Å; L225-L229 WeakPolarHBondContact O-CG 3.16Å; L225-L229 PolarHBondContact O-N 3.12Å; L229-G231 PolarHBondContact O-N 2.6Å; L229-G231 VanDerWaalsContact O-N 3.16Å; L229-V232 HydrophobicContact CB-CB 4.42Å; L229-V232 HydrophobicContact CD2-CB 4.42Å; L229-V232 HydrophobicContact CD2-CG1 4.32Å; L229-V232 WeakPolarHBondContact O-CB 3.36Å; L229-V232 PolarHBondContact O-N 3.45Å; L229-L235 HydrophobicContact CD2-CD1 4.11Å; L229-I256 HydrophobicContact CD2-CG2 4.31Å; L229-F293 HydrophobicContact CD2-CD2 4.31Å; L229-A409 HydrophobicContact CD1-CB 4.38Å; L229-A409 HydrophobicContact CD2-CB 4.31Å; L229-L410 HydrophobicContact CD1-CB 4.28Å; L229-L410 WeakPolarHBondContact CD1-O 3.44Å |
| 230 | D | 95.6 | Very high | 93.2 | Very high | 106 Ų | 106 | 56.7 Ų | 56.7 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 121.3 | 176 | -175.4 | 45.4 | 0 | 0 | 0 | 111.2 | Q226 V232 N296 | Q226-D230 PolarHBondContact O-N 3.41Å; D230-V232 PolarHBondContact O-N 2.99Å; D230-N296 PolarHBondContact O-ND2 2.97Å |
| 231 | G | 93.9 | Very high | 93.4 | Very high | 67 Ų | 67 | 53.8 Ų | 53.8 | 69% | 0.691 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 15.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L229 | L229-G231 PolarHBondContact O-N 2.6Å; L229-G231 VanDerWaalsContact O-N 3.16Å |
| 232 | V | 94.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 56.6 Ų | 56.6 | 11% | 0.109 | 34% | 0.337 | C | S | . | . | trans | -111.1 | 111.3 | 179.7 | -176 | 0 | 0 | 0 | 0 | 109.8 | L229 D230 E234 L235 F293 A409 | L229-V232 HydrophobicContact CB-CB 4.42Å; L229-V232 HydrophobicContact CD2-CB 4.42Å; L229-V232 HydrophobicContact CD2-CG1 4.32Å; L229-V232 WeakPolarHBondContact O-CB 3.36Å; L229-V232 PolarHBondContact O-N 3.45Å; D230-V232 PolarHBondContact O-N 2.99Å; V232-E234 WeakPolarHBondContact CG1-O 3.49Å; V232-L235 HydrophobicContact CG1-CD2 3.87Å; V232-L235 HydrophobicContact CG1-CG 4.1Å; V232-F293 HydrophobicContact CG1-CB 4.35Å; V232-F293 HydrophobicContact CG2-CB 3.88Å; V232-A409 HydrophobicContact CG1-CB 4.49Å; V232-A409 VanDerWaalsContact O-CB 3.26Å; V232-A409 WeakPolarHBondContact O-CB 3.37Å | ||
| 233 | S | 93.4 | Very high | 93.5 | Very high | 94 Ų | 94 | 52.4 Ų | 52.4 | 66% | 0.657 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -91.5 | -30.6 | 175.7 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | A409 | S233-A409 WeakPolarHBondContact O-CB 3.36Å; S233-A409 PolarHBondContact O-N 3.15Å |
| 234 | E | 94.4 | Very high | 93.7 | Very high | 102 Ų | 102 | 46.7 Ų | 46.7 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 152.9 | -176.9 | -63.1 | -173.6 | -178.4 | 0 | 0 | 110.9 | V232 S406 H407 | V232-E234 WeakPolarHBondContact CG1-O 3.49Å; E234-S406 WeakPolarHBondContact OE2-CB 3.3Å; E234-S406 PolarHBondContact OE2-OG 3.12Å; E234-H407 CarbonylContact C-O 3.19Å; E234-H407 VanDerWaalsContact CA-O 3.23Å; E234-H407 WeakPolarHBondContact CA-O 3.26Å |
| 235 | L | 94.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 130.6 | 173.1 | -69.6 | 169.9 | 0 | 0 | 0 | 108.8 | L229 V232 I256 F265 L266 N290 F293 H407 | L229-L235 HydrophobicContact CD2-CD1 4.11Å; V232-L235 HydrophobicContact CG1-CD2 3.87Å; V232-L235 HydrophobicContact CG1-CG 4.1Å; L235-I256 HydrophobicContact CD1-CG2 4.33Å; L235-F265 HydrophobicContact CB-CE2 4.24Å; L235-F265 HydrophobicContact CB-CZ 3.8Å; L235-L266 HydrophobicContact CB-CD1 4.49Å; L235-L266 HydrophobicContact CD1-CD1 4.03Å; L235-L266 HydrophobicContact CD2-CD1 4.34Å; L235-N290 WeakPolarHBondContact CA-OD1 3.21Å; L235-F293 HydrophobicContact CD2-CB 3.7Å; L235-F293 HydrophobicContact CD2-CD1 4.03Å; L235-F293 HydrophobicContact CD2-CD2 4.15Å; L235-F293 HydrophobicContact CD2-CG 3.67Å; L235-H407 PolarHBondContact N-O 3.16Å; L235-H407 PolarHBondContact O-N 3.02Å |
| 236 | A | 93.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 12% | 0.116 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 141.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A289 N290 G405 | A236-A289 HydrophobicContact CB-CB 3.98Å; A236-N290 PolarHBondContact N-OD1 3.42Å; A236-N290 PolarHBondContact O-ND2 2.84Å; A236-G405 CarbonylContact C-O 3.49Å; A236-G405 WeakPolarHBondContact CA-O 3.26Å |
| 237 | I | 94.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 115.8 | 159.9 | -57.8 | 168.3 | 0 | 0 | 0 | 106.6 | A243 F265 V284 I402 A404 G405 | I237-A243 HydrophobicContact CD1-CB 4.09Å; I237-A243 HydrophobicContact CG2-CB 4.34Å; I237-F265 HydrophobicContact CD1-CB 3.91Å; I237-F265 HydrophobicContact CD1-CD1 4.02Å; I237-F265 HydrophobicContact CD1-CD2 4.02Å; I237-F265 HydrophobicContact CD1-CG 3.73Å; I237-F265 HydrophobicContact CG1-CB 4.45Å; I237-F265 HydrophobicContact CG1-CD1 4.44Å; I237-F265 HydrophobicContact CG1-CD2 3.69Å; I237-F265 HydrophobicContact CG1-CE2 3.94Å; I237-F265 HydrophobicContact CG1-CG 3.96Å; I237-F265 HydrophobicContact CG1-CZ 4.43Å; I237-V284 HydrophobicContact CG1-CG2 4.3Å; I237-I402 HydrophobicContact CD1-CB 4.19Å; I237-I402 HydrophobicContact CD1-CG2 3.56Å; I237-A404 WeakPolarHBondContact O-CA 3.46Å; I237-A404 WeakPolarHBondContact O-CB 3.33Å; I237-G405 PolarHBondContact N-O 3.4Å; I237-G405 PolarHBondContact O-N 3.47Å; I237-G405 VanDerWaalsContact O-N 3.08Å |
| 238 | P | 90.6 | Very high | 93.8 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 21% | 0.208 | 25% | 0.246 | C | C | . | . | trans | -59.6 | 148.8 | -174.7 | -28.3 | 36.3 | 0 | 0 | 0 | 114.4 | G240 S241 G283 A287 A404 | P238-G240 PolarHBondContact O-N 3.19Å; P238-S241 WeakPolarHBondContact O-CB 3.38Å; P238-S241 PolarHBondContact O-N 3.23Å; P238-S241 PolarHBondContact O-OG 3.2Å; P238-G283 VanDerWaalsContact CG-O 3.3Å; P238-G283 WeakPolarHBondContact CG-O 3.4Å; P238-A287 HydrophobicContact CG-CB 3.56Å; P238-A404 VanDerWaalsContact O-CB 3.29Å; P238-A404 WeakPolarHBondContact O-CB 3.44Å | ||
| 239 | N | 89.1 | Confident | 93.6 | Very high | 153 Ų | 153 | 37.9 Ų | 37.9 | 82% | 0.818 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 135.5 | 172.7 | -71.6 | -21.4 | 0 | 0 | 0 | 111.4 | S241 | N239-S241 PolarHBondContact O-N 3.27Š|
| 240 | G | 85.8 | Confident | 93.4 | Very high | 87 Ų | 87 | 37.5 Ų | 37.5 | 90% | 0.897 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -4.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P238 | P238-G240 PolarHBondContact O-N 3.19Š|
| 241 | S | 89.8 | Confident | 93.2 | Very high | 18 Ų | 18 | 33 Ų | 33 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | trans | -92.9 | 145.2 | 169.7 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | P238 N239 H281 | P238-S241 WeakPolarHBondContact O-CB 3.38Å; P238-S241 PolarHBondContact O-N 3.23Å; P238-S241 PolarHBondContact O-OG 3.2Å; N239-S241 PolarHBondContact O-N 3.27Å; S241-H281 PolarHBondContact OG-CE1 3.12Å; S241-H281 PolarHBondContact OG-ND1 2.83Å | ||
| 242 | L | 93.1 | Very high | 93.2 | Very high | 59 Ų | 59 | 30 Ų | 30 | 31% | 0.309 | 19% | 0.192 | S | C | . | . | trans | -125.5 | 108.4 | 172.4 | -171.7 | 64.9 | 0 | 0 | 0 | 107.6 | H281 W369 T401 | L242-H281 PolarHBondContact O-CD2 2.69Å; L242-H281 VanDerWaalsContact O-CD2 3.29Å; L242-W369 HydrophobicContact CB-CZ2 4.07Å; L242-W369 HydrophobicContact CD2-CD2 4.38Å; L242-W369 HydrophobicContact CD2-CH2 4.37Å; L242-W369 HydrophobicContact CD2-CZ2 4.03Å; L242-W369 HydrophobicContact CG-CZ2 4.43Å; L242-W369 PolarHBondContact O-NE1 2.92Å; L242-T401 HydrophobicContact CD1-CG2 4.48Å; L242-T401 HydrophobicContact CD2-CG2 3.75Å; L242-T401 HydrophobicContact CG-CG2 3.92Å | ||
| 243 | A | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 145.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I237 F265 G280 H281 T401 I402 | I237-A243 HydrophobicContact CD1-CB 4.09Å; I237-A243 HydrophobicContact CG2-CB 4.34Å; A243-F265 HydrophobicContact CB-CB 4.37Å; A243-G280 CarbonylContact C-O 3.42Å; A243-G280 WeakPolarHBondContact CA-O 3.36Å; A243-H281 HydrophobicContact CB-CB 4.05Å; A243-T401 CarbonylContact O-C 3.52Å; A243-T401 WeakPolarHBondContact O-CA 3.18Å; A243-I402 HydrophobicContact CB-CB 4.43Å; A243-I402 PolarHBondContact N-O 2.86Å; A243-I402 PolarHBondContact O-N 3.45Å |
| 244 | S | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 141 | 161.8 | -61.2 | 0 | 0 | 0 | 0 | 109.4 | G280 H367 A368 W369 L398 S400 | S244-G280 PolarHBondContact N-O 3.16Å; S244-G280 VanDerWaalsContact O-CA 3.23Å; S244-G280 WeakPolarHBondContact O-CA 3.41Å; S244-H367 VanDerWaalsContact OG-C 3.3Å; S244-H367 WeakPolarHBondContact OG-CA 3.35Å; S244-H367 WeakPolarHBondContact OG-CB 3.29Å; S244-A368 PolarHBondContact OG-N 2.77Å; S244-W369 VanDerWaalsContact OG-CD1 3.27Å; S244-W369 PolarHBondContact OG-N 3.37Å; S244-L398 VanDerWaalsContact CB-O 3.27Å; S244-L398 WeakPolarHBondContact CB-O 3.35Å; S244-L398 PolarHBondContact OG-O 2.82Å; S244-S400 WeakPolarHBondContact CA-O 3.31Å |
| 245 | E | 95.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 19.8 Ų | 19.8 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 142 | 167.7 | -174.5 | 176.3 | 172.9 | 0 | 0 | 110.5 | Q263 A264 L398 S400 I402 K449 | E245-Q263 HydrophobicContact CG-CB 4.17Å; E245-Q263 PolarHBondContact OE2-NE2 3.07Å; E245-A264 CarbonylContact C-O 3.41Å; E245-A264 WeakPolarHBondContact CA-O 3.25Å; E245-L398 HydrophobicContact CB-CB 4.28Å; E245-L398 HydrophobicContact CB-CD1 4.38Å; E245-L398 HydrophobicContact CG-CD1 4.29Å; E245-L398 PolarHBondContact O-N 2.91Å; E245-S400 VanDerWaalsContact CB-OG 3.25Å; E245-S400 WeakPolarHBondContact CB-OG 3.45Å; E245-S400 PolarHBondContact N-O 3.31Å; E245-S400 PolarHBondContact OE2-OG 2.95Å; E245-I402 HydrophobicContact CB-CD1 4.06Å; E245-I402 HydrophobicContact CB-CG1 4.34Å; E245-I402 HydrophobicContact CG-CD1 4.28Å; E245-K449 WeakPolarHBondContact OE1-CE 3.27Å; E245-K449 IonicContact OE1-NZ 3.88Å; E245-K449 PolarHBondContact OE1-NZ 3.12Å |
| 246 | V | 96.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 114.8 | 174.5 | -170.6 | 0 | 0 | 0 | 0 | 108.4 | A264 A267 V278 L395 S396 L397 | V246-A264 HydrophobicContact CB-CB 4.48Å; V246-A264 PolarHBondContact N-O 3.1Å; V246-A267 HydrophobicContact CB-CB 4.3Å; V246-A267 HydrophobicContact CG1-CB 3.7Å; V246-V278 HydrophobicContact CG1-CB 4.38Å; V246-V278 HydrophobicContact CG1-CG1 4.22Å; V246-V278 HydrophobicContact CG2-CG1 4.14Å; V246-L395 HydrophobicContact CG1-CD2 4.24Å; V246-S396 CarbonylContact C-O 2.98Å; V246-S396 WeakPolarHBondContact CA-O 3.46Å; V246-L397 HydrophobicContact CG2-CD2 3.92Å |
| 247 | M | 95.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 119.3 | 172.6 | -172.8 | 174.2 | 178.8 | 0 | 0 | 110 | H249 L395 S396 L398 F422 D453 Y457 | M247-H249 HydrophobicContact CE-CB 4.02Å; M247-H249 HydrophobicContact CG-CB 4.3Å; M247-L395 WeakPolarHBondContact O-CA 3.44Å; M247-S396 PolarHBondContact N-O 3.13Å; M247-S396 PolarHBondContact O-N 3.07Å; M247-L398 HydrophobicContact CB-CD1 4.09Å; M247-L398 HydrophobicContact CB-CD2 3.84Å; M247-L398 HydrophobicContact CB-CG 4.02Å; M247-L398 HydrophobicContact SD-CD2 4.49Å; M247-F422 HydrophobicContact CE-CB 4.23Å; M247-F422 HydrophobicContact CE-CD1 4.03Å; M247-F422 HydrophobicContact CE-CD2 3.44Å; M247-F422 VanDerWaalsContact CE-CD2 3.44Å; M247-F422 HydrophobicContact CE-CE1 4.23Å; M247-F422 HydrophobicContact CE-CE2 3.68Å; M247-F422 HydrophobicContact CE-CG 3.63Å; M247-F422 HydrophobicContact CE-CZ 4.07Å; M247-D453 HydrophobicContact CE-CB 3.79Å; M247-D453 HydrophobicContact SD-CB 4.44Å; M247-Y457 HydrophobicContact CE-CD2 4.07Å; M247-Y457 HydrophobicContact CE-CG 4.34Å |
| 248 | V | 94.9 | Very high | 93.5 | Very high | 8 Ų | 8 | 20 Ų | 20 | 5% | 0.048 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 97.9 | 177.6 | -173.4 | 0 | 0 | 0 | 0 | 109 | A253 P255 A264 A267 L395 F422 | V248-A253 VanDerWaalsContact CG1-C 3.43Å; V248-A253 HydrophobicContact CG1-CB 3.66Å; V248-P255 HydrophobicContact CG2-CB 4.42Å; V248-A264 HydrophobicContact CG2-CB 4.39Å; V248-A267 HydrophobicContact CG2-CB 3.65Å; V248-L395 HydrophobicContact CB-CD2 4.48Å; V248-L395 HydrophobicContact CG1-CD2 4.35Å; V248-L395 HydrophobicContact CG2-CD2 4.16Å; V248-F422 VanDerWaalsContact O-CB 3.26Å; V248-F422 WeakPolarHBondContact O-CB 3.46Å; V248-F422 PolarHBondContact O-N 2.78Å |
| 249 | H | 93.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 18.9 Ų | 18.9 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | trans | -123.2 | -10.3 | -169.1 | 71.5 | 77.3 | 0 | 0 | 0 | 114.9 | M247 N391 G394 L395 S396 F422 R423 Y457 | M247-H249 HydrophobicContact CE-CB 4.02Å; M247-H249 HydrophobicContact CG-CB 4.3Å; H249-N391 PolarHBondContact CE1-O 3.22Å; H249-G394 PolarHBondContact CD2-O 2.87Å; H249-G394 VanDerWaalsContact CE1-CA 3.47Å; H249-G394 WeakPolarHBondContact CE1-CA 3.38Å; H249-G394 PolarHBondContact N-O 3.03Å; H249-L395 PolarHBondContact NE2-N 3.48Å; H249-S396 PolarHBondContact CD2-OG 3.37Å; H249-S396 PolarHBondContact NE2-OG 2.93Å; H249-F422 HydrophobicContact CB-CD1 3.88Å; H249-F422 HydrophobicContact CB-CG 4.41Å; H249-R423 WeakPolarHBondContact O-CD 3.29Å; H249-R423 VanDerWaalsContact O-CG 3.24Å; H249-R423 WeakPolarHBondContact O-CG 3.47Å; H249-Y457 HydrophobicContact CB-CD2 4.14Å; H249-Y457 HydrophobicContact CB-CE2 4.11Å; H249-Y457 AromaticContact CG-CE2 3.9Å; H249-Y457 AromaticContact ND1-CE2 3.61Å | ||
| 250 | G | 92.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -78.8 | 158 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L252 G394 R423 | G250-L252 VanDerWaalsContact C-N 3.29Å; G250-G394 VanDerWaalsContact CA-CA 3.46Å; G250-G394 PolarHBondContact N-O 3.22Å; G250-R423 VanDerWaalsContact C-CD 3.43Å; G250-R423 WeakPolarHBondContact O-CD 3.33Å |
| 251 | P | 91.6 | Very high | 92.7 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 7% | 0.065 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -26 | 173.8 | 30.6 | -36.3 | 0 | 0 | 0 | 112.7 | L36 I38 G218 | L36-P251 HydrophobicContact CD1-CB 4.1Å; I38-P251 HydrophobicContact CB-CG 4.49Å; I38-P251 HydrophobicContact CG2-CG 3.75Å; G218-P251 WeakPolarHBondContact CA-O 3.09Å; G218-P251 PolarHBondContact N-O 3.1Å |
| 252 | L | 94.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 18.4 | 177.6 | -73.8 | -172.5 | 0 | 0 | 0 | 113.7 | L36 I38 L176 Y191 K219 G250 A269 Y270 | L36-L252 HydrophobicContact CD2-CD1 4Å; L36-L252 HydrophobicContact CD2-CD2 3.41Å; L36-L252 VanDerWaalsContact CD2-CD2 3.41Å; L36-L252 HydrophobicContact CD2-CG 3.66Å; I38-L252 HydrophobicContact CD1-CD1 4.23Å; I38-L252 HydrophobicContact CG2-CB 4.36Å; I38-L252 HydrophobicContact CG2-CD1 3.73Å; I38-L252 HydrophobicContact CG2-CG 3.87Å; L176-L252 HydrophobicContact CD1-CD1 4.19Å; L176-L252 HydrophobicContact CD1-CD2 3.73Å; Y191-L252 HydrophobicContact CD2-CD1 4.27Å; Y191-L252 HydrophobicContact CE2-CD1 3.86Å; K219-L252 HydrophobicContact CB-CD2 4.38Å; G250-L252 VanDerWaalsContact C-N 3.29Å; L252-A269 CarbonylContact O-C 3.58Å; L252-A269 VanDerWaalsContact O-CA 3.23Å; L252-A269 WeakPolarHBondContact O-CA 3.27Å; L252-Y270 PolarHBondContact O-N 3.33Å |
| 253 | A | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 150.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V248 G268 A269 G394 L395 H421 | V248-A253 VanDerWaalsContact CG1-C 3.43Å; V248-A253 HydrophobicContact CG1-CB 3.66Å; A253-G268 CarbonylContact C-O 3.59Å; A253-G268 VanDerWaalsContact CA-O 3.31Å; A253-G268 WeakPolarHBondContact CA-O 3.41Å; A253-A269 HydrophobicContact CB-CB 3.86Å; A253-G394 WeakPolarHBondContact CB-O 3.16Å; A253-L395 HydrophobicContact CB-CD2 3.83Å; A253-L395 HydrophobicContact CB-CG 4.21Å; A253-H421 PolarHBondContact O-NE2 3.13Å |
| 254 | F | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 146.7 | -177.6 | 59 | -80.5 | 0 | 0 | 0 | 112.4 | F221 D224 L225 L228 I256 A267 G268 Y270 W300 I416 | F221-F254 HydrophobicContact CB-CB 4.2Å; F221-F254 HydrophobicContact CB-CD1 4.28Å; F221-F254 HydrophobicContact CB-CD2 4.21Å; F221-F254 HydrophobicContact CB-CG 3.99Å; F221-F254 HydrophobicContact CD1-CB 4.19Å; F221-F254 AromaticContact CD1-CD1 3.24Å; F221-F254 HydrophobicContact CD1-CD1 3.24Å; F221-F254 AromaticContact CD1-CE1 3.67Å; F221-F254 HydrophobicContact CD1-CE1 3.67Å; F221-F254 AromaticContact CD1-CG 3.79Å; F221-F254 HydrophobicContact CD1-CG 3.79Å; F221-F254 HydrophobicContact CD1-CZ 4.5Å; F221-F254 HydrophobicContact CD2-CB 3.56Å; F221-F254 HydrophobicContact CD2-CD1 4.22Å; F221-F254 HydrophobicContact CD2-CG 4.07Å; F221-F254 HydrophobicContact CE1-CB 4.44Å; F221-F254 AromaticContact CE1-CD1 3.42Å; F221-F254 HydrophobicContact CE1-CD1 3.42Å; F221-F254 VanDerWaalsContact CE1-CD1 3.42Å; F221-F254 AromaticContact CE1-CE1 3.99Å; F221-F254 HydrophobicContact CE1-CE1 3.99Å; F221-F254 HydrophobicContact CE1-CG 4.22Å; F221-F254 HydrophobicContact CE2-CB 3.81Å; F221-F254 HydrophobicContact CE2-CD1 4.33Å; F221-F254 HydrophobicContact CE2-CG 4.44Å; F221-F254 HydrophobicContact CG-CB 3.74Å; F221-F254 AromaticContact CG-CD1 3.68Å; F221-F254 HydrophobicContact CG-CD1 3.68Å; F221-F254 HydrophobicContact CG-CD2 4.4Å; F221-F254 HydrophobicContact CG-CE1 4.37Å; F221-F254 AromaticContact CG-CG 3.69Å; F221-F254 HydrophobicContact CG-CG 3.69Å; F221-F254 HydrophobicContact CZ-CB 4.24Å; F221-F254 AromaticContact CZ-CD1 3.96Å; F221-F254 HydrophobicContact CZ-CD1 3.96Å; D224-F254 HydrophobicContact CB-CE2 4.28Å; D224-F254 HydrophobicContact CB-CZ 4.01Å; L225-F254 HydrophobicContact CD2-CD2 3.96Å; L225-F254 HydrophobicContact CD2-CE2 3.99Å; L225-F254 HydrophobicContact CG-CD2 4.16Å; L225-F254 HydrophobicContact CG-CE2 4.25Å; L228-F254 HydrophobicContact CD1-CE2 3.86Å; L228-F254 HydrophobicContact CD1-CZ 4.03Å; F254-I256 HydrophobicContact CD2-CG1 4.02Å; F254-I256 HydrophobicContact CE2-CD1 4.15Å; F254-I256 HydrophobicContact CE2-CG1 3.73Å; F254-A267 WeakPolarHBondContact O-CA 3.38Å; F254-A267 WeakPolarHBondContact O-CB 3.48Å; F254-G268 WeakPolarHBondContact CD1-O 3.44Å; F254-G268 PolarHBondContact N-O 3.21Å; F254-G268 PolarHBondContact O-N 3.1Å; F254-Y270 HydrophobicContact CE1-CD2 4.49Å; F254-Y270 HydrophobicContact CE1-CE2 4.39Å; F254-W300 HydrophobicContact CE1-CH2 4.23Å; F254-W300 HydrophobicContact CE1-CZ2 4.22Å; F254-W300 HydrophobicContact CZ-CH2 4.06Å; F254-W300 AromaticContact CZ-CZ2 3.94Å; F254-W300 HydrophobicContact CZ-CZ2 3.94Å; F254-I416 HydrophobicContact CB-CD1 4.19Å |
| 255 | P | 95.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 143.9 | 173.1 | 31.3 | -33.7 | 0 | 0 | 0 | 110.8 | V248 V258 A264 L410 | V248-P255 HydrophobicContact CG2-CB 4.42Å; P255-V258 HydrophobicContact CB-CG2 3.74Å; P255-A264 HydrophobicContact CB-CB 4.25Å; P255-L410 HydrophobicContact CB-CD1 4.49Å; P255-L410 HydrophobicContact CG-CD1 4.49Å |
| 256 | I | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -48.7 | 175.9 | -63.4 | 170.5 | 0 | 0 | 0 | 110.4 | L225 L228 L229 L235 F254 L266 I277 F293 | L225-I256 HydrophobicContact CD2-CG1 4.27Å; L228-I256 HydrophobicContact CD1-CD1 3.89Å; L228-I256 HydrophobicContact CD1-CG1 4.28Å; L229-I256 HydrophobicContact CD2-CG2 4.31Å; L235-I256 HydrophobicContact CD1-CG2 4.33Å; F254-I256 HydrophobicContact CD2-CG1 4.02Å; F254-I256 HydrophobicContact CE2-CD1 4.15Å; F254-I256 HydrophobicContact CE2-CG1 3.73Å; I256-L266 HydrophobicContact CB-CB 4.18Å; I256-L266 HydrophobicContact CG2-CB 4.49Å; I256-L266 PolarHBondContact N-O 3.45Å; I256-I277 HydrophobicContact CD1-CG1 4.28Å; I256-F293 HydrophobicContact CD1-CZ 4.43Å; I256-F293 HydrophobicContact CG2-CD2 4.46Å; I256-F293 HydrophobicContact CG2-CE2 3.49Å; I256-F293 VanDerWaalsContact CG2-CE2 3.49Å; I256-F293 HydrophobicContact CG2-CZ 3.77Å |
| 257 | G | 94.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 122.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A264 F265 L266 | G257-A264 CarbonylContact O-C 3.03Å; G257-A264 WeakPolarHBondContact O-CA 3.47Å; G257-F265 VanDerWaalsContact O-CD1 3.27Å; G257-F265 WeakPolarHBondContact O-CD1 3.39Å; G257-F265 PolarHBondContact O-N 3.34Å; G257-L266 PolarHBondContact N-O 3.39Å; G257-L266 PolarHBondContact O-N 3.17Å |
| 258 | V | 93.7 | Very high | 92.7 | Very high | 19 Ų | 19 | 16 Ų | 16 | 12% | 0.115 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130 | -170.6 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | P255 G262 Q263 A264 L410 | P255-V258 HydrophobicContact CB-CG2 3.74Å; V258-G262 VanDerWaalsContact CG1-C 3.49Å; V258-Q263 WeakPolarHBondContact CA-O 3.39Å; V258-A264 HydrophobicContact CG2-CB 4.31Å; V258-L410 HydrophobicContact CB-CD2 4.26Å; V258-L410 HydrophobicContact CG2-CD1 4.04Å; V258-L410 HydrophobicContact CG2-CD2 4.21Å |
| 259 | A | 91.8 | Very high | 92.7 | Very high | 9 Ų | 9 | 15.6 Ų | 15.6 | 7% | 0.074 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 174.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | G261 G262 Q263 F265 I402 | A259-G261 PolarHBondContact O-N 3Å; A259-G262 PolarHBondContact O-N 3.35Å; A259-Q263 PolarHBondContact N-O 2.87Å; A259-F265 HydrophobicContact CB-CD1 4.39Å; A259-I402 HydrophobicContact CB-CG2 3.47Å; A259-I402 VanDerWaalsContact CB-CG2 3.47Å |
| 260 | N | 79.9 | Confident | 92.8 | Very high | 142 Ų | 142 | 15.3 Ų | 15.3 | 76% | 0.759 | 10% | 0.1 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 139.2 | 179.8 | -65.3 | -16.8 | 0 | 0 | 0 | 111.6 | ||
| 261 | G | 75.9 | Confident | 93 | Very high | 57 Ų | 57 | 16.2 Ų | 16.2 | 59% | 0.588 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80 | 15.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | A259 | A259-G261 PolarHBondContact O-N 3Š|
| 262 | G | 86.1 | Confident | 93.1 | Very high | 8 Ų | 8 | 15.8 Ų | 15.8 | 8% | 0.082 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 18.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V258 A259 A264 Y420 K449 | V258-G262 VanDerWaalsContact CG1-C 3.49Å; A259-G262 PolarHBondContact O-N 3.35Å; G262-A264 PolarHBondContact O-N 3.37Å; G262-Y420 WeakPolarHBondContact O-CB 3.27Å; G262-K449 WeakPolarHBondContact O-CE 3.42Å |
| 263 | Q | 92.9 | Very high | 93 | Very high | 56 Ų | 56 | 16.8 Ų | 16.8 | 26% | 0.262 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 110.1 | -179.7 | -59.3 | -174.5 | -79.3 | 0 | 0 | 110.3 | E245 V258 A259 I402 | E245-Q263 HydrophobicContact CG-CB 4.17Å; E245-Q263 PolarHBondContact OE2-NE2 3.07Å; V258-Q263 WeakPolarHBondContact CA-O 3.39Å; A259-Q263 PolarHBondContact N-O 2.87Å; Q263-I402 HydrophobicContact CB-CD1 3.74Å; Q263-I402 HydrophobicContact CB-CG1 4.05Å |
| 264 | A | 95.4 | Very high | 93 | Very high | 6 Ų | 6 | 16.8 Ų | 16.8 | 5% | 0.05 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 133.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E245 V246 V248 P255 G257 V258 G262 I402 | E245-A264 CarbonylContact C-O 3.41Å; E245-A264 WeakPolarHBondContact CA-O 3.25Å; V246-A264 HydrophobicContact CB-CB 4.48Å; V246-A264 PolarHBondContact N-O 3.1Å; V248-A264 HydrophobicContact CG2-CB 4.39Å; P255-A264 HydrophobicContact CB-CB 4.25Å; G257-A264 CarbonylContact O-C 3.03Å; G257-A264 WeakPolarHBondContact O-CA 3.47Å; V258-A264 HydrophobicContact CG2-CB 4.31Å; G262-A264 PolarHBondContact O-N 3.37Å; A264-I402 WeakPolarHBondContact O-CD1 3.49Å |
| 265 | F | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -11.6 | 169 | 65.1 | -88.7 | 0 | 0 | 0 | 112.1 | L235 I237 A243 G257 A259 G280 V284 I402 H407 | L235-F265 HydrophobicContact CB-CE2 4.24Å; L235-F265 HydrophobicContact CB-CZ 3.8Å; I237-F265 HydrophobicContact CD1-CB 3.91Å; I237-F265 HydrophobicContact CD1-CD1 4.02Å; I237-F265 HydrophobicContact CD1-CD2 4.02Å; I237-F265 HydrophobicContact CD1-CG 3.73Å; I237-F265 HydrophobicContact CG1-CB 4.45Å; I237-F265 HydrophobicContact CG1-CD1 4.44Å; I237-F265 HydrophobicContact CG1-CD2 3.69Å; I237-F265 HydrophobicContact CG1-CE2 3.94Å; I237-F265 HydrophobicContact CG1-CG 3.96Å; I237-F265 HydrophobicContact CG1-CZ 4.43Å; A243-F265 HydrophobicContact CB-CB 4.37Å; G257-F265 VanDerWaalsContact O-CD1 3.27Å; G257-F265 WeakPolarHBondContact O-CD1 3.39Å; G257-F265 PolarHBondContact O-N 3.34Å; A259-F265 HydrophobicContact CB-CD1 4.39Å; F265-G280 PolarHBondContact O-N 2.76Å; F265-V284 HydrophobicContact CD2-CG1 4.36Å; F265-V284 HydrophobicContact CD2-CG2 4.44Å; F265-V284 HydrophobicContact CE2-CG1 4.33Å; F265-I402 HydrophobicContact CB-CD1 3.79Å; F265-H407 HydrophobicContact CE1-CB 4.08Å; F265-H407 AromaticContact CE1-CD2 3.47Å; F265-H407 VanDerWaalsContact CE1-CD2 3.47Å; F265-H407 WeakPolarHBondContact CE1-CD2 3.35Å; F265-H407 AromaticContact CE1-CG 3.94Å; F265-H407 HydrophobicContact CZ-CB 4.37Å; F265-H407 AromaticContact CZ-CD2 3.86Å |
| 266 | L | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 131.8 | 173.2 | -79.1 | 161.2 | 0 | 0 | 0 | 108.8 | L235 I256 G257 V278 A279 V284 F293 W294 | L235-L266 HydrophobicContact CB-CD1 4.49Å; L235-L266 HydrophobicContact CD1-CD1 4.03Å; L235-L266 HydrophobicContact CD2-CD1 4.34Å; I256-L266 HydrophobicContact CB-CB 4.18Å; I256-L266 HydrophobicContact CG2-CB 4.49Å; I256-L266 PolarHBondContact N-O 3.45Å; G257-L266 PolarHBondContact N-O 3.39Å; G257-L266 PolarHBondContact O-N 3.17Å; L266-V278 WeakPolarHBondContact CA-O 3.48Å; L266-A279 HydrophobicContact CD2-CB 3.64Å; L266-V284 HydrophobicContact CD1-CG1 3.83Å; L266-V284 HydrophobicContact CD2-CG1 4.03Å; L266-V284 HydrophobicContact CG-CG1 4.03Å; L266-F293 HydrophobicContact CD1-CE1 4.25Å; L266-F293 HydrophobicContact CD2-CE1 4.16Å; L266-W294 HydrophobicContact CD2-CH2 3.71Å; L266-W294 HydrophobicContact CD2-CZ2 3.91Å |
| 267 | A | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 155.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | V246 V248 F254 I277 V278 L395 | V246-A267 HydrophobicContact CB-CB 4.3Å; V246-A267 HydrophobicContact CG1-CB 3.7Å; V248-A267 HydrophobicContact CG2-CB 3.65Å; F254-A267 WeakPolarHBondContact O-CA 3.38Å; F254-A267 WeakPolarHBondContact O-CB 3.48Å; A267-I277 WeakPolarHBondContact O-CA 3.15Å; A267-V278 PolarHBondContact N-O 2.96Å; A267-V278 PolarHBondContact O-N 2.83Å; A267-L395 HydrophobicContact CB-CD2 3.68Å |
| 268 | G | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 159.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | A253 F254 V276 | A253-G268 CarbonylContact C-O 3.59Å; A253-G268 VanDerWaalsContact CA-O 3.31Å; A253-G268 WeakPolarHBondContact CA-O 3.41Å; F254-G268 WeakPolarHBondContact CD1-O 3.44Å; F254-G268 PolarHBondContact N-O 3.21Å; F254-G268 PolarHBondContact O-N 3.1Å; G268-V276 CarbonylContact C-O 3.4Å; G268-V276 WeakPolarHBondContact CA-O 3.27Å |
| 269 | A | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 157 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L252 A253 V276 M393 L395 | L252-A269 CarbonylContact O-C 3.58Å; L252-A269 VanDerWaalsContact O-CA 3.23Å; L252-A269 WeakPolarHBondContact O-CA 3.27Å; A253-A269 HydrophobicContact CB-CB 3.86Å; A269-V276 PolarHBondContact N-O 3.32Å; A269-V276 PolarHBondContact O-N 3.34Å; A269-M393 VanDerWaalsContact CB-O 3.29Å; A269-M393 WeakPolarHBondContact CB-O 3.4Å; A269-L395 HydrophobicContact CB-CD1 3.77Å; A269-L395 HydrophobicContact CB-CG 4.1Å |
| 270 | Y | 95.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 139.3 | 163.4 | -69.3 | -94.9 | 0 | 0 | 0 | 110.4 | N174 H177 K219 F221 D224 L252 F254 R275 W300 | N174-Y270 PolarHBondContact ND2-OH 3.43Å; H177-Y270 AromaticContact CE1-CD1 3.84Å; H177-Y270 AromaticContact CE1-CE1 3.72Å; H177-Y270 AromaticContact NE2-CD1 3.26Å; H177-Y270 VanDerWaalsContact NE2-CD1 3.26Å; H177-Y270 WeakPolarHBondContact NE2-CD1 3.45Å; H177-Y270 AromaticContact NE2-CE1 3.48Å; H177-Y270 WeakPolarHBondContact NE2-CE1 3.41Å; K219-Y270 PolarHBondContact NZ-OH 2.85Å; F221-Y270 HydrophobicContact CD1-CD2 4.5Å; F221-Y270 HydrophobicContact CD1-CE2 4.26Å; F221-Y270 HydrophobicContact CE1-CD2 4.06Å; F221-Y270 HydrophobicContact CE1-CE2 4.26Å; D224-Y270 VanDerWaalsContact CG-OH 3.25Å; D224-Y270 PolarHBondContact OD1-OH 3.14Å; D224-Y270 WeakPolarHBondContact OD2-CE2 3.22Å; D224-Y270 PolarHBondContact OD2-OH 3.2Å; L252-Y270 PolarHBondContact O-N 3.33Å; F254-Y270 HydrophobicContact CE1-CD2 4.49Å; F254-Y270 HydrophobicContact CE1-CE2 4.39Å; Y270-R275 HydrophobicContact CD1-CG 3.92Å; Y270-R275 HydrophobicContact CE1-CG 3.92Å; Y270-W300 HydrophobicContact CE1-CZ2 4.39Å; Y270-W300 AromaticContact CE2-CZ2 3.9Å; Y270-W300 HydrophobicContact CE2-CZ2 3.9Å; Y270-W300 AromaticContact CZ-CZ2 3.86Å |
| 271 | Y | 94.9 | Very high | 94.1 | Very high | 24 Ų | 24 | 11.3 Ų | 11.3 | 9% | 0.094 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 118.1 | 175.9 | -176.5 | -105.2 | 0 | 0 | 0 | 110.7 | I38 Q273 G274 Q353 V356 A357 Q392 M393 | I38-Y271 HydrophobicContact CD1-CD2 3.87Å; I38-Y271 HydrophobicContact CD1-CE2 4.5Å; Y271-Q273 PolarHBondContact O-N 2.89Å; Y271-G274 PolarHBondContact N-O 2.89Å; Y271-G274 VanDerWaalsContact N-O 3.13Å; Y271-G274 PolarHBondContact O-N 3.02Å; Y271-Q353 HydrophobicContact CE1-CB 4.47Å; Y271-V356 HydrophobicContact CD1-CB 4.21Å; Y271-V356 HydrophobicContact CD1-CG1 3.99Å; Y271-V356 HydrophobicContact CG-CG1 4.49Å; Y271-A357 HydrophobicContact CD1-CB 4.17Å; Y271-A357 HydrophobicContact CE1-CB 3.84Å; Y271-Q392 HydrophobicContact CE2-CB 4.14Å; Y271-Q392 WeakPolarHBondContact CE2-O 3.34Å; Y271-Q392 PolarHBondContact OH-OE1 3.36Å; Y271-M393 HydrophobicContact CD1-CE 4.1Å; Y271-M393 HydrophobicContact CD1-CG 4.07Å; Y271-M393 HydrophobicContact CD2-CG 4.07Å; Y271-M393 HydrophobicContact CE1-CE 4.49Å; Y271-M393 HydrophobicContact CG-CB 4.45Å; Y271-M393 HydrophobicContact CG-CG 3.75Å |
| 272 | G | 93.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -127.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G186 Y191 G274 A357 | G186-G272 VanDerWaalsContact O-CA 3.31Å; G186-G272 WeakPolarHBondContact O-CA 3.34Å; Y191-G272 WeakPolarHBondContact OH-CA 3.29Å; Y191-G272 PolarHBondContact OH-N 2.71Å; Y191-G272 PolarHBondContact OH-O 3.08Å; G272-G274 VanDerWaalsContact C-N 3.35Å; G272-A357 CarbonylContact C-O 3.57Å; G272-A357 WeakPolarHBondContact CA-O 3.33Å |
| 273 | Q | 93.1 | Very high | 94.7 | Very high | 24 Ų | 24 | 10.5 Ų | 10.5 | 11% | 0.112 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -2 | 173.2 | -61.1 | -54.7 | -70 | 0 | 0 | 112.7 | H177 N182 V187 Y271 A357 | H177-Q273 PolarHBondContact CE1-O 3.4Å; N182-Q273 PolarHBondContact O-NE2 3.02Å; V187-Q273 HydrophobicContact CG1-CG 4.14Å; Y271-Q273 PolarHBondContact O-N 2.89Å; Q273-A357 PolarHBondContact N-O 3.05Å |
| 274 | G | 95.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.01 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 180 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | Y271 G272 V356 G360 | Y271-G274 PolarHBondContact N-O 2.89Å; Y271-G274 VanDerWaalsContact N-O 3.13Å; Y271-G274 PolarHBondContact O-N 3.02Å; G272-G274 VanDerWaalsContact C-N 3.35Å; G274-V356 WeakPolarHBondContact CA-O 3.48Å; G274-V356 PolarHBondContact N-O 2.69Å; G274-G360 WeakPolarHBondContact CA-O 3.47Å |
| 275 | R | 96.9 | Very high | 94.1 | Very high | 28 Ų | 28 | 7.9 Ų | 7.9 | 11% | 0.106 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 144.2 | -172.9 | -72.1 | 173.2 | -170.5 | -169.5 | 2.3 | 110.1 | Y270 W300 L301 E303 G360 G361 L362 | Y270-R275 HydrophobicContact CD1-CG 3.92Å; Y270-R275 HydrophobicContact CE1-CG 3.92Å; R275-W300 HydrophobicContact CB-CE3 3.98Å; R275-W300 HydrophobicContact CB-CH2 3.72Å; R275-W300 HydrophobicContact CB-CZ2 4.35Å; R275-W300 HydrophobicContact CB-CZ3 3.54Å; R275-W300 WeakPolarHBondContact CD-O 3.37Å; R275-W300 HydrophobicContact CG-CE3 4.44Å; R275-W300 HydrophobicContact CG-CH2 3.84Å; R275-W300 HydrophobicContact CG-CZ2 3.99Å; R275-W300 HydrophobicContact CG-CZ3 4.1Å; R275-W300 PolarHBondContact NH1-O 2.73Å; R275-L301 HydrophobicContact CB-CD2 3.98Å; R275-L301 WeakPolarHBondContact O-CD2 3.49Å; R275-E303 IonicContact CZ-OE1 3.97Å; R275-E303 IonicContact NE-OE1 3.73Å; R275-E303 VanDerWaalsContact NH2-CD 3.32Å; R275-E303 IonicContact NH2-OE1 2.97Å; R275-E303 PolarHBondContact NH2-OE1 3.09Å; R275-G360 PolarHBondContact N-O 3.46Å; R275-G361 CarbonylContact O-C 3.49Å; R275-G361 WeakPolarHBondContact O-CA 3.49Å; R275-L362 PolarHBondContact O-N 2.93Å |
| 276 | V | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.9 | -173 | -170.7 | 0 | 0 | 0 | 0 | 109.7 | G268 A269 V278 V356 L362 L390 M393 L395 | G268-V276 CarbonylContact C-O 3.4Å; G268-V276 WeakPolarHBondContact CA-O 3.27Å; A269-V276 PolarHBondContact N-O 3.32Å; A269-V276 PolarHBondContact O-N 3.34Å; V276-V278 HydrophobicContact CG1-CG2 4.22Å; V276-V356 HydrophobicContact CG2-CG1 3.66Å; V276-L362 CarbonylContact C-O 3.2Å; V276-L362 VanDerWaalsContact CA-O 3.27Å; V276-L362 WeakPolarHBondContact CA-O 3.43Å; V276-L362 HydrophobicContact CG1-CB 4.32Å; V276-L362 HydrophobicContact CG1-CD2 4.14Å; V276-L362 HydrophobicContact CG1-CG 4.29Å; V276-L362 HydrophobicContact CG2-CB 4.39Å; V276-L390 HydrophobicContact CG1-CD2 4.04Å; V276-M393 HydrophobicContact CB-SD 4.34Å; V276-M393 HydrophobicContact CG1-SD 3.95Å; V276-M393 HydrophobicContact CG2-CB 4.41Å; V276-M393 HydrophobicContact CG2-CE 4.34Å; V276-M393 HydrophobicContact CG2-CG 4.18Å; V276-M393 HydrophobicContact CG2-SD 3.54Å; V276-M393 VanDerWaalsContact CG2-SD 3.54Å; V276-L395 HydrophobicContact CG1-CD1 4.39Å |
| 277 | I | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.6 | 166.5 | -68.6 | 174.9 | 0 | 0 | 0 | 109 | L228 I256 A267 W294 A297 W300 L301 L362 L363 I364 | L228-I277 HydrophobicContact CD2-CD1 4.01Å; I256-I277 HydrophobicContact CD1-CG1 4.28Å; A267-I277 WeakPolarHBondContact O-CA 3.15Å; I277-W294 HydrophobicContact CG2-CH2 4.23Å; I277-W294 HydrophobicContact CG2-CZ3 3.96Å; I277-A297 HydrophobicContact CD1-CB 3.56Å; I277-W300 HydrophobicContact CD1-CE3 3.81Å; I277-W300 HydrophobicContact CD1-CZ3 4.11Å; I277-W300 HydrophobicContact CG1-CE3 4.04Å; I277-W300 HydrophobicContact CG1-CZ3 3.8Å; I277-L301 HydrophobicContact CB-CD1 4.45Å; I277-L301 HydrophobicContact CD1-CD1 4.23Å; I277-L301 HydrophobicContact CD1-CD2 4.42Å; I277-L301 HydrophobicContact CD1-CG 4.13Å; I277-L301 HydrophobicContact CG1-CD1 4.49Å; I277-L301 HydrophobicContact CG1-CD2 4.17Å; I277-L301 HydrophobicContact CG1-CG 4.41Å; I277-L362 PolarHBondContact N-O 3.44Å; I277-L363 CarbonylContact O-C 3.59Å; I277-L363 WeakPolarHBondContact O-CA 3.43Å; I277-I364 PolarHBondContact O-N 3.34Å |
| 278 | V | 96.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.5 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | V246 L266 A267 V276 I364 L390 L395 L397 | V246-V278 HydrophobicContact CG1-CB 4.38Å; V246-V278 HydrophobicContact CG1-CG1 4.22Å; V246-V278 HydrophobicContact CG2-CG1 4.14Å; L266-V278 WeakPolarHBondContact CA-O 3.48Å; A267-V278 PolarHBondContact N-O 2.96Å; A267-V278 PolarHBondContact O-N 2.83Å; V276-V278 HydrophobicContact CG1-CG2 4.22Å; V278-I364 WeakPolarHBondContact CA-O 3.42Å; V278-I364 HydrophobicContact CG2-CB 4.45Å; V278-L390 HydrophobicContact CG1-CD1 3.96Å; V278-L390 HydrophobicContact CG2-CD1 3.72Å; V278-L390 HydrophobicContact CG2-CD2 3.3Å; V278-L390 HydrophobicContact CG2-CG 4.12Å; V278-L395 HydrophobicContact CB-CD1 4.39Å; V278-L395 HydrophobicContact CG2-CB 4.44Å; V278-L395 HydrophobicContact CG2-CD1 3.68Å; V278-L397 HydrophobicContact CG1-CD1 4.26Å; V278-L397 HydrophobicContact CG1-CD2 3.88Å; V278-L397 HydrophobicContact CG1-CG 4.02Å |
| 279 | A | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 132.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L266 H281 V284 L285 W294 I364 G366 | L266-A279 HydrophobicContact CD2-CB 3.64Å; A279-H281 PolarHBondContact O-N 2.86Å; A279-V284 HydrophobicContact CB-CB 4.22Å; A279-V284 HydrophobicContact CB-CG1 4.48Å; A279-L285 HydrophobicContact CB-CD1 3.47Å; A279-L285 VanDerWaalsContact CB-CD1 3.47Å; A279-W294 HydrophobicContact CB-CH2 4.19Å; A279-W294 HydrophobicContact CB-CZ2 4.42Å; A279-I364 PolarHBondContact N-O 3.39Å; A279-G366 PolarHBondContact O-N 2.79Å |
| 280 | G | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -64.5 | -5.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | A243 S244 F265 G366 H367 | A243-G280 CarbonylContact C-O 3.42Å; A243-G280 WeakPolarHBondContact CA-O 3.36Å; S244-G280 PolarHBondContact N-O 3.16Å; S244-G280 VanDerWaalsContact O-CA 3.23Å; S244-G280 WeakPolarHBondContact O-CA 3.41Å; F265-G280 PolarHBondContact O-N 2.76Å; G280-G366 CarbonylContact C-O 3.59Å; G280-G366 WeakPolarHBondContact CA-O 3.27Å; G280-G366 CarbonylContact O-C 3.57Å; G280-H367 WeakPolarHBondContact O-CB 3.15Å |
| 281 | H | 92.3 | Very high | 91.1 | Very high | 30 Ų | 30 | 24 Ų | 24 | 14% | 0.139 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -160 | 143.9 | 174.6 | -163.5 | -101.9 | 0 | 0 | 0 | 110 | S241 L242 A243 A279 G283 V284 H367 | S241-H281 PolarHBondContact OG-CE1 3.12Å; S241-H281 PolarHBondContact OG-ND1 2.83Å; L242-H281 PolarHBondContact O-CD2 2.69Å; L242-H281 VanDerWaalsContact O-CD2 3.29Å; A243-H281 HydrophobicContact CB-CB 4.05Å; A279-H281 PolarHBondContact O-N 2.86Å; H281-G283 WeakPolarHBondContact ND1-CA 3.31Å; H281-G283 PolarHBondContact ND1-N 2.89Å; H281-G283 PolarHBondContact O-N 2.99Å; H281-V284 HydrophobicContact CB-CG2 4.21Å; H281-V284 WeakPolarHBondContact O-CB 3.49Å; H281-V284 PolarHBondContact O-N 2.93Å; H281-V284 VanDerWaalsContact O-N 3.13Å; H281-H367 AromaticContact CD2-CG 3.76Å; H281-H367 AromaticContact CD2-ND1 3.47Å; H281-H367 PolarHBondContact CD2-ND1 3.49Å; H281-H367 AromaticContact NE2-ND1 3.84Å |
| 282 | E | 87.3 | Confident | 90.9 | Very high | 39 Ų | 39 | 26 Ų | 26 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -29.8 | 175.2 | -61.2 | 82.7 | 175.8 | 0 | 0 | 111.5 | V284 L285 L313 G365 G366 H367 | E282-V284 PolarHBondContact O-N 3.05Å; E282-L285 WeakPolarHBondContact O-CB 3.34Å; E282-L285 PolarHBondContact O-N 3.08Å; E282-L285 VanDerWaalsContact O-N 3.09Å; E282-L313 HydrophobicContact CG-CD2 3.98Å; E282-G365 WeakPolarHBondContact CG-O 3.28Å; E282-G366 WeakPolarHBondContact OE1-CA 3.48Å; E282-G366 VanDerWaalsContact OE2-CA 3.31Å; E282-G366 WeakPolarHBondContact OE2-CA 3.24Å; E282-H367 IonicContact OE1-ND1 2.85Å; E282-H367 IonicContact OE2-CE1 3.56Å; E282-H367 PolarHBondContact OE2-CE1 2.93Å; E282-H367 IonicContact OE2-ND1 3.75Å; E282-H367 PolarHBondContact OE2-ND1 2.81Å |
| 283 | G | 87.4 | Confident | 90.9 | Very high | 9 Ų | 9 | 26 Ų | 26 | 9% | 0.093 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.8 | -32.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P238 H281 L285 S286 A287 | P238-G283 VanDerWaalsContact CG-O 3.3Å; P238-G283 WeakPolarHBondContact CG-O 3.4Å; H281-G283 WeakPolarHBondContact ND1-CA 3.31Å; H281-G283 PolarHBondContact ND1-N 2.89Å; H281-G283 PolarHBondContact O-N 2.99Å; G283-L285 PolarHBondContact O-N 3.11Å; G283-S286 WeakPolarHBondContact CA-OG 3.4Å; G283-S286 PolarHBondContact O-N 3.36Å; G283-S286 PolarHBondContact O-OG 3.01Å; G283-A287 PolarHBondContact O-N 3.12Å |
| 284 | V | 89.6 | Confident | 90.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63 | -30.9 | 178.1 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | I237 F265 L266 A279 H281 E282 S286 N290 W294 | I237-V284 HydrophobicContact CG1-CG2 4.3Å; F265-V284 HydrophobicContact CD2-CG1 4.36Å; F265-V284 HydrophobicContact CD2-CG2 4.44Å; F265-V284 HydrophobicContact CE2-CG1 4.33Å; L266-V284 HydrophobicContact CD1-CG1 3.83Å; L266-V284 HydrophobicContact CD2-CG1 4.03Å; L266-V284 HydrophobicContact CG-CG1 4.03Å; A279-V284 HydrophobicContact CB-CB 4.22Å; A279-V284 HydrophobicContact CB-CG1 4.48Å; H281-V284 HydrophobicContact CB-CG2 4.21Å; H281-V284 WeakPolarHBondContact O-CB 3.49Å; H281-V284 PolarHBondContact O-N 2.93Å; H281-V284 VanDerWaalsContact O-N 3.13Å; E282-V284 PolarHBondContact O-N 3.05Å; V284-S286 VanDerWaalsContact C-N 3.34Å; V284-N290 WeakPolarHBondContact CG1-ND2 3.28Å; V284-N290 PolarHBondContact O-ND2 2.87Å; V284-W294 HydrophobicContact CG1-CZ2 4.13Å; V284-W294 PolarHBondContact O-NE1 3.03Å |
| 285 | L | 85.6 | Confident | 90.6 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.9 | -32.7 | 175.1 | -69.9 | 63.5 | 0 | 0 | 0 | 111.9 | A279 E282 G283 W294 L313 G316 V340 L363 | A279-L285 HydrophobicContact CB-CD1 3.47Å; A279-L285 VanDerWaalsContact CB-CD1 3.47Å; E282-L285 WeakPolarHBondContact O-CB 3.34Å; E282-L285 PolarHBondContact O-N 3.08Å; E282-L285 VanDerWaalsContact O-N 3.09Å; G283-L285 PolarHBondContact O-N 3.11Å; L285-W294 HydrophobicContact CB-CZ2 4.28Å; L285-W294 HydrophobicContact CD1-CH2 3.94Å; L285-W294 HydrophobicContact CD1-CZ2 3.73Å; L285-W294 HydrophobicContact CG-CH2 3.97Å; L285-W294 HydrophobicContact CG-CZ2 3.73Å; L285-L313 HydrophobicContact CD2-CD1 3.37Å; L285-G316 CarbonylContact C-O 3.17Å; L285-G316 VanDerWaalsContact C-O 3.23Å; L285-G316 WeakPolarHBondContact CB-O 3.39Å; L285-V340 HydrophobicContact CD2-CG1 4.34Å; L285-L363 HydrophobicContact CD1-CD2 4.39Å; L285-L363 HydrophobicContact CD2-CD2 3.44Å; L285-L363 VanDerWaalsContact CD2-CD2 3.44Å; L285-L363 HydrophobicContact CG-CD2 4.02Å |
| 286 | S | 79.1 | Confident | 90.5 | Very high | 56 Ų | 56 | 30.1 Ų | 30.1 | 39% | 0.392 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -86 | -4.9 | -177 | 72.3 | 0 | 0 | 0 | 0 | 114.7 | G283 V284 E288 I319 | G283-S286 WeakPolarHBondContact CA-OG 3.4Å; G283-S286 PolarHBondContact O-N 3.36Å; G283-S286 PolarHBondContact O-OG 3.01Å; V284-S286 VanDerWaalsContact C-N 3.34Å; S286-E288 PolarHBondContact O-N 3.32Å; S286-I319 VanDerWaalsContact C-CD1 3.49Å; S286-I319 WeakPolarHBondContact O-CD1 3.45Å |
| 287 | A | 84.3 | Confident | 90.4 | Very high | 11 Ų | 11 | 30.1 Ų | 30.1 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | trans | -76.1 | 119.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P238 G283 A289 N290 I319 | P238-A287 HydrophobicContact CG-CB 3.56Å; G283-A287 PolarHBondContact O-N 3.12Å; A287-A289 PolarHBondContact O-N 3.4Å; A287-N290 HydrophobicContact CB-CB 4.25Å; A287-N290 PolarHBondContact O-N 2.91Å; A287-I319 VanDerWaalsContact C-CD1 3.42Å; A287-I319 WeakPolarHBondContact O-CD1 3.27Å | ||
| 288 | E | 84.2 | Confident | 90.3 | Very high | 165 Ų | 165 | 30.3 Ų | 30.3 | 77% | 0.771 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -57.5 | -35.4 | 176.9 | -69 | -175.8 | 174.6 | 0 | 0 | 112.6 | S286 N290 A291 I319 | S286-E288 PolarHBondContact O-N 3.32Å; E288-N290 PolarHBondContact O-N 3.03Å; E288-N290 VanDerWaalsContact O-N 3.13Å; E288-A291 WeakPolarHBondContact O-CB 3.32Å; E288-A291 PolarHBondContact O-N 2.91Å; E288-A291 VanDerWaalsContact O-N 3.07Å; E288-I319 HydrophobicContact CB-CD1 4.47Å; E288-I319 HydrophobicContact CG-CD1 4.11Å |
| 289 | A | 87.6 | Confident | 90.2 | Very high | 73 Ų | 73 | 33.2 Ų | 33.2 | 60% | 0.603 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -58.6 | -24.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A236 A287 | A236-A289 HydrophobicContact CB-CB 3.98Å; A287-A289 PolarHBondContact O-N 3.4Å |
| 290 | N | 91.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -95.6 | 9.7 | -179 | -60.3 | -16.5 | 0 | 0 | 0 | 112.7 | L235 A236 V284 A287 E288 S292 F293 W294 | L235-N290 WeakPolarHBondContact CA-OD1 3.21Å; A236-N290 PolarHBondContact N-OD1 3.42Å; A236-N290 PolarHBondContact O-ND2 2.84Å; V284-N290 WeakPolarHBondContact CG1-ND2 3.28Å; V284-N290 PolarHBondContact O-ND2 2.87Å; A287-N290 HydrophobicContact CB-CB 4.25Å; A287-N290 PolarHBondContact O-N 2.91Å; E288-N290 PolarHBondContact O-N 3.03Å; E288-N290 VanDerWaalsContact O-N 3.13Å; N290-S292 PolarHBondContact O-N 3Å; N290-F293 WeakPolarHBondContact O-CB 3.29Å; N290-F293 PolarHBondContact O-N 3.29Å; N290-W294 PolarHBondContact O-N 3.29Å |
| 291 | A | 89.2 | Confident | 90.4 | Very high | 36 Ų | 36 | 33.3 Ų | 33.3 | 30% | 0.298 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.8 | -48.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E288 F293 W294 K295 I319 | E288-A291 WeakPolarHBondContact O-CB 3.32Å; E288-A291 PolarHBondContact O-N 2.91Å; E288-A291 VanDerWaalsContact O-N 3.07Å; A291-F293 VanDerWaalsContact C-N 3.31Å; A291-F293 PolarHBondContact O-N 3.38Å; A291-W294 PolarHBondContact O-N 3Å; A291-K295 PolarHBondContact O-N 2.78Å; A291-K295 VanDerWaalsContact O-N 3.08Å; A291-I319 VanDerWaalsContact CA-CG2 3.41Å; A291-I319 HydrophobicContact CB-CG2 3.22Å |
| 292 | S | 90.8 | Very high | 90.5 | Very high | 65 Ų | 65 | 31.9 Ų | 31.9 | 46% | 0.455 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | N290 W294 K295 N296 | N290-S292 PolarHBondContact O-N 3Å; S292-W294 PolarHBondContact O-N 3.08Å; S292-K295 WeakPolarHBondContact O-CB 3.47Å; S292-K295 PolarHBondContact O-N 3.43Å; S292-N296 VanDerWaalsContact O-CG 3.32Å; S292-N296 PolarHBondContact O-N 2.69Å; S292-N296 VanDerWaalsContact O-N 3.13Å; S292-N296 PolarHBondContact O-OD1 3.21Å |
| 293 | F | 94.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59 | -48.9 | 176 | 170.8 | -103.6 | 0 | 0 | 0 | 111.7 | L228 L229 V232 L235 I256 L266 N290 A291 K295 N296 A297 | L228-F293 HydrophobicContact CB-CE2 4.2Å; L228-F293 HydrophobicContact CD2-CE2 4.39Å; L229-F293 HydrophobicContact CD2-CD2 4.31Å; V232-F293 HydrophobicContact CG1-CB 4.35Å; V232-F293 HydrophobicContact CG2-CB 3.88Å; L235-F293 HydrophobicContact CD2-CB 3.7Å; L235-F293 HydrophobicContact CD2-CD1 4.03Å; L235-F293 HydrophobicContact CD2-CD2 4.15Å; L235-F293 HydrophobicContact CD2-CG 3.67Å; I256-F293 HydrophobicContact CD1-CZ 4.43Å; I256-F293 HydrophobicContact CG2-CD2 4.46Å; I256-F293 HydrophobicContact CG2-CE2 3.49Å; I256-F293 VanDerWaalsContact CG2-CE2 3.49Å; I256-F293 HydrophobicContact CG2-CZ 3.77Å; L266-F293 HydrophobicContact CD1-CE1 4.25Å; L266-F293 HydrophobicContact CD2-CE1 4.16Å; N290-F293 WeakPolarHBondContact O-CB 3.29Å; N290-F293 PolarHBondContact O-N 3.29Å; A291-F293 VanDerWaalsContact C-N 3.31Å; A291-F293 PolarHBondContact O-N 3.38Å; F293-K295 VanDerWaalsContact C-N 3.28Å; F293-K295 PolarHBondContact O-N 2.87Å; F293-N296 PolarHBondContact O-N 2.78Å; F293-N296 VanDerWaalsContact O-N 3.1Å; F293-A297 HydrophobicContact CE1-CB 4.25Å; F293-A297 HydrophobicContact CZ-CB 4.17Å; F293-A297 VanDerWaalsContact O-CB 3.29Å; F293-A297 WeakPolarHBondContact O-CB 3.37Å; F293-A297 PolarHBondContact O-N 3.38Å |
| 294 | W | 92.1 | Very high | 90.8 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 4% | 0.038 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.2 | -29.9 | -177.5 | -71.8 | 121.4 | 0 | 0 | 0 | 113.6 | L266 I277 A279 V284 L285 N290 A291 S292 A297 L298 L363 | L266-W294 HydrophobicContact CD2-CH2 3.71Å; L266-W294 HydrophobicContact CD2-CZ2 3.91Å; I277-W294 HydrophobicContact CG2-CH2 4.23Å; I277-W294 HydrophobicContact CG2-CZ3 3.96Å; A279-W294 HydrophobicContact CB-CH2 4.19Å; A279-W294 HydrophobicContact CB-CZ2 4.42Å; V284-W294 HydrophobicContact CG1-CZ2 4.13Å; V284-W294 PolarHBondContact O-NE1 3.03Å; L285-W294 HydrophobicContact CB-CZ2 4.28Å; L285-W294 HydrophobicContact CD1-CH2 3.94Å; L285-W294 HydrophobicContact CD1-CZ2 3.73Å; L285-W294 HydrophobicContact CG-CH2 3.97Å; L285-W294 HydrophobicContact CG-CZ2 3.73Å; N290-W294 PolarHBondContact O-N 3.29Å; A291-W294 PolarHBondContact O-N 3Å; S292-W294 PolarHBondContact O-N 3.08Å; W294-A297 HydrophobicContact CE3-CB 3.84Å; W294-A297 HydrophobicContact CZ3-CB 4.27Å; W294-L298 WeakPolarHBondContact O-CG 3.33Å; W294-L298 PolarHBondContact O-N 2.74Å; W294-L298 VanDerWaalsContact O-N 3.08Å; W294-L363 HydrophobicContact CE3-CD1 3.82Å; W294-L363 HydrophobicContact CH2-CD1 4.33Å; W294-L363 HydrophobicContact CZ3-CD1 3.43Å; W294-L363 VanDerWaalsContact CZ3-CD1 3.43Å; W294-L363 HydrophobicContact CZ3-CD2 4.42Å; W294-L363 HydrophobicContact CZ3-CG 4.12Å |
| 295 | K | 91.4 | Very high | 90.9 | Very high | 104 Ų | 104 | 39.9 Ų | 39.9 | 45% | 0.452 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.8 | -51 | 169.2 | 179.3 | 179 | 177.5 | -170.6 | 0 | 110.6 | A291 S292 F293 L298 H299 | A291-K295 PolarHBondContact O-N 2.78Å; A291-K295 VanDerWaalsContact O-N 3.08Å; S292-K295 WeakPolarHBondContact O-CB 3.47Å; S292-K295 PolarHBondContact O-N 3.43Å; F293-K295 VanDerWaalsContact C-N 3.28Å; F293-K295 PolarHBondContact O-N 2.87Å; K295-L298 PolarHBondContact O-N 3.04Å; K295-H299 PolarHBondContact O-CD2 3.25Å; K295-H299 VanDerWaalsContact O-CD2 3.24Å; K295-H299 PolarHBondContact O-N 3.15Å |
| 296 | N | 94.9 | Very high | 91.1 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 14% | 0.139 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 179.2 | -60.8 | -11.8 | 0 | 0 | 0 | 110.8 | F227 L228 D230 S292 F293 L298 H299 W300 | F227-N296 WeakPolarHBondContact CE1-O 3.5Å; F227-N296 PolarHBondContact O-ND2 3.34Å; L228-N296 WeakPolarHBondContact O-CB 3.41Å; L228-N296 PolarHBondContact O-ND2 2.94Å; L228-N296 VanDerWaalsContact O-ND2 3.14Å; D230-N296 PolarHBondContact O-ND2 2.97Å; S292-N296 VanDerWaalsContact O-CG 3.32Å; S292-N296 PolarHBondContact O-N 2.69Å; S292-N296 VanDerWaalsContact O-N 3.13Å; S292-N296 PolarHBondContact O-OD1 3.21Å; F293-N296 PolarHBondContact O-N 2.78Å; F293-N296 VanDerWaalsContact O-N 3.1Å; N296-L298 VanDerWaalsContact C-N 3.34Å; N296-L298 PolarHBondContact O-N 3.2Å; N296-H299 PolarHBondContact O-N 2.87Å; N296-H299 VanDerWaalsContact O-N 3.15Å; N296-W300 WeakPolarHBondContact O-CB 3.37Å; N296-W300 PolarHBondContact O-N 3.07Å |
| 297 | A | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.8 | -44.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L228 I277 F293 W294 W300 L301 | L228-A297 HydrophobicContact CD2-CB 4.25Å; I277-A297 HydrophobicContact CD1-CB 3.56Å; F293-A297 HydrophobicContact CE1-CB 4.25Å; F293-A297 HydrophobicContact CZ-CB 4.17Å; F293-A297 VanDerWaalsContact O-CB 3.29Å; F293-A297 WeakPolarHBondContact O-CB 3.37Å; F293-A297 PolarHBondContact O-N 3.38Å; W294-A297 HydrophobicContact CE3-CB 3.84Å; W294-A297 HydrophobicContact CZ3-CB 4.27Å; A297-W300 PolarHBondContact O-N 3.01Å; A297-L301 WeakPolarHBondContact O-CB 3.15Å; A297-L301 VanDerWaalsContact O-CG 3.22Å; A297-L301 WeakPolarHBondContact O-CG 3.38Å; A297-L301 PolarHBondContact O-N 2.85Å |
| 298 | L | 93.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.3 | -36.8 | 178.8 | -72.8 | 171.4 | 0 | 0 | 0 | 113 | W294 K295 N296 W300 L301 D302 V309 A320 L325 M327 V338 V340 L363 | W294-L298 WeakPolarHBondContact O-CG 3.33Å; W294-L298 PolarHBondContact O-N 2.74Å; W294-L298 VanDerWaalsContact O-N 3.08Å; K295-L298 PolarHBondContact O-N 3.04Å; N296-L298 VanDerWaalsContact C-N 3.34Å; N296-L298 PolarHBondContact O-N 3.2Å; L298-W300 VanDerWaalsContact C-N 3.35Å; L298-L301 PolarHBondContact O-N 3.01Å; L298-D302 VanDerWaalsContact O-CB 3.24Å; L298-D302 WeakPolarHBondContact O-CB 3.39Å; L298-D302 PolarHBondContact O-N 3.05Å; L298-V309 HydrophobicContact CD2-CG1 4.19Å; L298-A320 HydrophobicContact CD1-CB 3.44Å; L298-A320 VanDerWaalsContact CD1-CB 3.44Å; L298-L325 HydrophobicContact CB-CD1 3.94Å; L298-M327 HydrophobicContact CD1-CE 3.44Å; L298-M327 VanDerWaalsContact CD1-CE 3.44Å; L298-V338 HydrophobicContact CD2-CG1 4.25Å; L298-V340 HydrophobicContact CD2-CG2 4.47Å; L298-L363 HydrophobicContact CD2-CD1 4.43Å |
| 299 | H | 94.9 | Very high | 92.6 | Very high | 61 Ų | 61 | 41 Ų | 41 | 28% | 0.282 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.8 | -37.3 | 172.5 | -78.9 | -65.9 | 0 | 0 | 0 | 111.8 | F227 K295 N296 D302 E303 S323 | F227-H299 HydrophobicContact CE1-CB 4.29Å; F227-H299 HydrophobicContact CZ-CB 4.1Å; K295-H299 PolarHBondContact O-CD2 3.25Å; K295-H299 VanDerWaalsContact O-CD2 3.24Å; K295-H299 PolarHBondContact O-N 3.15Å; N296-H299 PolarHBondContact O-N 2.87Å; N296-H299 VanDerWaalsContact O-N 3.15Å; H299-D302 PolarHBondContact O-N 3.09Å; H299-E303 PolarHBondContact O-N 2.72Å; H299-S323 PolarHBondContact CE1-O 3.45Å; H299-S323 PolarHBondContact NE2-O 3.28Å |
| 300 | W | 95.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.011 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64 | -42.3 | 174.7 | -174.4 | 82.6 | 0 | 0 | 0 | 111 | D224 F227 L228 F254 Y270 R275 I277 N296 A297 L298 | D224-W300 PolarHBondContact OD1-NE1 2.93Å; F227-W300 HydrophobicContact CD1-CB 3.81Å; F227-W300 AromaticContact CD1-CD1 3.85Å; F227-W300 HydrophobicContact CD1-CG 4.21Å; F227-W300 HydrophobicContact CE1-CB 3.65Å; F227-W300 HydrophobicContact CE1-CG 4.44Å; L228-W300 HydrophobicContact CD1-CD2 4.43Å; L228-W300 HydrophobicContact CD2-CB 3.7Å; L228-W300 HydrophobicContact CD2-CD2 4.07Å; L228-W300 HydrophobicContact CD2-CE3 4.35Å; L228-W300 HydrophobicContact CD2-CG 3.8Å; L228-W300 HydrophobicContact CG-CD2 4.47Å; L228-W300 HydrophobicContact CG-CG 4.22Å; F254-W300 HydrophobicContact CE1-CH2 4.23Å; F254-W300 HydrophobicContact CE1-CZ2 4.22Å; F254-W300 HydrophobicContact CZ-CH2 4.06Å; F254-W300 AromaticContact CZ-CZ2 3.94Å; F254-W300 HydrophobicContact CZ-CZ2 3.94Å; Y270-W300 HydrophobicContact CE1-CZ2 4.39Å; Y270-W300 AromaticContact CE2-CZ2 3.9Å; Y270-W300 HydrophobicContact CE2-CZ2 3.9Å; Y270-W300 AromaticContact CZ-CZ2 3.86Å; R275-W300 HydrophobicContact CB-CE3 3.98Å; R275-W300 HydrophobicContact CB-CH2 3.72Å; R275-W300 HydrophobicContact CB-CZ2 4.35Å; R275-W300 HydrophobicContact CB-CZ3 3.54Å; R275-W300 WeakPolarHBondContact CD-O 3.37Å; R275-W300 HydrophobicContact CG-CE3 4.44Å; R275-W300 HydrophobicContact CG-CH2 3.84Å; R275-W300 HydrophobicContact CG-CZ2 3.99Å; R275-W300 HydrophobicContact CG-CZ3 4.1Å; R275-W300 PolarHBondContact NH1-O 2.73Å; I277-W300 HydrophobicContact CD1-CE3 3.81Å; I277-W300 HydrophobicContact CD1-CZ3 4.11Å; I277-W300 HydrophobicContact CG1-CE3 4.04Å; I277-W300 HydrophobicContact CG1-CZ3 3.8Å; N296-W300 WeakPolarHBondContact O-CB 3.37Å; N296-W300 PolarHBondContact O-N 3.07Å; A297-W300 PolarHBondContact O-N 3.01Å; L298-W300 VanDerWaalsContact C-N 3.35Å |
| 301 | L | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69 | -40.8 | 176.7 | -71.9 | 170.5 | 0 | 0 | 0 | 112.6 | R275 I277 A297 L298 R305 V338 L362 L363 | R275-L301 HydrophobicContact CB-CD2 3.98Å; R275-L301 WeakPolarHBondContact O-CD2 3.49Å; I277-L301 HydrophobicContact CB-CD1 4.45Å; I277-L301 HydrophobicContact CD1-CD1 4.23Å; I277-L301 HydrophobicContact CD1-CD2 4.42Å; I277-L301 HydrophobicContact CD1-CG 4.13Å; I277-L301 HydrophobicContact CG1-CD1 4.49Å; I277-L301 HydrophobicContact CG1-CD2 4.17Å; I277-L301 HydrophobicContact CG1-CG 4.41Å; A297-L301 WeakPolarHBondContact O-CB 3.15Å; A297-L301 VanDerWaalsContact O-CG 3.22Å; A297-L301 WeakPolarHBondContact O-CG 3.38Å; A297-L301 PolarHBondContact O-N 2.85Å; L298-L301 PolarHBondContact O-N 3.01Å; L301-R305 PolarHBondContact O-NH2 2.81Å; L301-V338 HydrophobicContact CB-CG1 4.06Å; L301-V338 HydrophobicContact CB-CG2 3.82Å; L301-V338 HydrophobicContact CD1-CG1 3.99Å; L301-L362 WeakPolarHBondContact CD2-O 3.23Å; L301-L363 HydrophobicContact CD1-CB 3.9Å; L301-L363 HydrophobicContact CD1-CD1 4.09Å; L301-L363 HydrophobicContact CD1-CG 4.41Å |
| 302 | D | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.7 | -27.4 | -179.7 | 178.1 | 76.6 | 0 | 0 | 0 | 113 | L298 H299 G304 R305 R306 G307 L325 S337 V338 | L298-D302 VanDerWaalsContact O-CB 3.24Å; L298-D302 WeakPolarHBondContact O-CB 3.39Å; L298-D302 PolarHBondContact O-N 3.05Å; H299-D302 PolarHBondContact O-N 3.09Å; D302-G304 PolarHBondContact O-N 2.87Å; D302-G304 VanDerWaalsContact O-N 3.1Å; D302-G304 WeakPolarHBondContact OD2-CA 3.24Å; D302-G304 PolarHBondContact OD2-N 3.09Å; D302-R305 VanDerWaalsContact O-CB 3.31Å; D302-R305 WeakPolarHBondContact O-CB 3.48Å; D302-R305 VanDerWaalsContact O-CG 3.32Å; D302-R305 WeakPolarHBondContact O-CG 3.33Å; D302-R305 PolarHBondContact O-N 2.89Å; D302-R305 PolarHBondContact O-NE 2.89Å; D302-R305 PolarHBondContact O-NH1 3Å; D302-R305 PolarHBondContact O-NH2 3.37Å; D302-R305 PolarHBondContact OD2-N 3.28Å; D302-R305 VanDerWaalsContact OD2-N 3.12Å; D302-R306 PolarHBondContact OD1-N 2.93Å; D302-R306 VanDerWaalsContact OD1-N 3.17Å; D302-R306 PolarHBondContact OD2-N 3.15Å; D302-G307 PolarHBondContact OD1-N 3.04Å; D302-L325 HydrophobicContact CB-CD1 4.11Å; D302-L325 HydrophobicContact CB-CD2 4.49Å; D302-S337 WeakPolarHBondContact OD1-CB 3.41Å; D302-S337 PolarHBondContact OD1-OG 3.2Å; D302-V338 HydrophobicContact CB-CG2 3.94Å |
| 303 | E | 91.9 | Very high | 92.2 | Very high | 65 Ų | 65 | 35.7 Ų | 35.7 | 30% | 0.304 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 34 | 179.9 | -159.7 | 175.7 | -155.1 | 0 | 0 | 113.4 | H177 R275 H299 R305 | H177-E303 IonicContact CE1-OE1 2.67Å; H177-E303 PolarHBondContact CE1-OE1 3.31Å; H177-E303 IonicContact CE1-OE2 3.95Å; H177-E303 IonicContact CG-OE1 3.43Å; H177-E303 IonicContact ND1-OE1 2.79Å; H177-E303 PolarHBondContact ND1-OE1 3.29Å; H177-E303 IonicContact ND1-OE2 3.16Å; R275-E303 IonicContact CZ-OE1 3.97Å; R275-E303 IonicContact NE-OE1 3.73Å; R275-E303 VanDerWaalsContact NH2-CD 3.32Å; R275-E303 IonicContact NH2-OE1 2.97Å; R275-E303 PolarHBondContact NH2-OE1 3.09Å; H299-E303 PolarHBondContact O-N 2.72Å; E303-R305 VanDerWaalsContact C-N 3.25Å; E303-R305 PolarHBondContact O-N 3.41Å; E303-R305 IonicContact OE2-NH1 3.32Å |
| 304 | G | 90.8 | Very high | 91 | Very high | 54 Ų | 54 | 41.9 Ų | 41.9 | 56% | 0.557 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 7.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D302 R306 | D302-G304 PolarHBondContact O-N 2.87Å; D302-G304 VanDerWaalsContact O-N 3.1Å; D302-G304 WeakPolarHBondContact OD2-CA 3.24Å; D302-G304 PolarHBondContact OD2-N 3.09Å; G304-R306 PolarHBondContact O-N 2.93Å |
| 305 | R | 91.9 | Very high | 89.7 | Confident | 97 Ų | 97 | 47.8 Ų | 47.8 | 37% | 0.366 | 25% | 0.247 | S | C | . | . | trans | -60.3 | -27.3 | 173 | -70 | -177 | -65.5 | -86.3 | 5.4 | 112.4 | L301 D302 E303 G307 S337 G359 | L301-R305 PolarHBondContact O-NH2 2.81Å; D302-R305 VanDerWaalsContact O-CB 3.31Å; D302-R305 WeakPolarHBondContact O-CB 3.48Å; D302-R305 VanDerWaalsContact O-CG 3.32Å; D302-R305 WeakPolarHBondContact O-CG 3.33Å; D302-R305 PolarHBondContact O-N 2.89Å; D302-R305 PolarHBondContact O-NE 2.89Å; D302-R305 PolarHBondContact O-NH1 3Å; D302-R305 PolarHBondContact O-NH2 3.37Å; D302-R305 PolarHBondContact OD2-N 3.28Å; D302-R305 VanDerWaalsContact OD2-N 3.12Å; E303-R305 VanDerWaalsContact C-N 3.25Å; E303-R305 PolarHBondContact O-N 3.41Å; E303-R305 IonicContact OE2-NH1 3.32Å; R305-G307 PolarHBondContact O-N 2.78Å; R305-G307 VanDerWaalsContact O-N 3.14Å; R305-S337 WeakPolarHBondContact CB-OG 3.48Å; R305-S337 PolarHBondContact NE-OG 3.45Å; R305-S337 PolarHBondContact NH2-O 3.21Å; R305-G359 PolarHBondContact NH1-O 2.79Å; R305-G359 PolarHBondContact NH2-O 3.11Å | ||
| 306 | R | 89.7 | Confident | 88.1 | Confident | 213 Ų | 213 | 43.5 Ų | 43.5 | 80% | 0.804 | 23% | 0.233 | S | C | * | . | trans | 53 | 31.9 | -179.3 | -62.8 | -176.7 | 174.5 | -164.3 | -0.9 | 113.2 | D302 G304 | D302-R306 PolarHBondContact OD1-N 2.93Å; D302-R306 VanDerWaalsContact OD1-N 3.17Å; D302-R306 PolarHBondContact OD2-N 3.15Å; G304-R306 PolarHBondContact O-N 2.93Å | ||
| 307 | G | 90.5 | Very high | 86.5 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 26% | 0.258 | 23% | 0.233 | S | C | . | . | trans | -84 | -164.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D302 R305 | D302-G307 PolarHBondContact OD1-N 3.04Å; R305-G307 PolarHBondContact O-N 2.78Å; R305-G307 VanDerWaalsContact O-N 3.14Å | ||
| 308 | V | 93.8 | Very high | 84.7 | Confident | 24 Ų | 24 | 50.7 Ų | 50.7 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.4 | -179.5 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | K326 E328 L336 S337 V338 | V308-K326 CarbonylContact C-O 3.57Å; V308-K326 WeakPolarHBondContact CA-O 3.36Å; V308-K326 HydrophobicContact CG2-CD 3.94Å; V308-K326 HydrophobicContact CG2-CG 4.34Å; V308-E328 HydrophobicContact CG1-CB 3.62Å; V308-L336 HydrophobicContact CB-CD2 4.08Å; V308-L336 HydrophobicContact CG1-CD2 3.91Å; V308-S337 PolarHBondContact O-N 3.29Å; V308-V338 PolarHBondContact O-N 2.56Å |
| 309 | V | 93.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 107.9 | 166.7 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | L298 V311 L325 K326 M327 E328 V338 V340 | L298-V309 HydrophobicContact CD2-CG1 4.19Å; V309-V311 HydrophobicContact CG1-CG2 4.35Å; V309-L325 HydrophobicContact CG2-CB 3.98Å; V309-L325 HydrophobicContact CG2-CD1 4.09Å; V309-K326 PolarHBondContact N-O 2.96Å; V309-M327 HydrophobicContact CB-CG 4.2Å; V309-M327 HydrophobicContact CG1-CE 4.36Å; V309-M327 WeakPolarHBondContact O-CA 3.22Å; V309-E328 PolarHBondContact O-N 3.29Å; V309-V338 CarbonylContact C-O 3.53Å; V309-V338 WeakPolarHBondContact CA-O 3.39Å; V309-V338 HydrophobicContact CB-CB 4.45Å; V309-V338 HydrophobicContact CG1-CB 4.13Å; V309-V338 HydrophobicContact CG1-CG1 4.35Å; V309-V338 HydrophobicContact CG2-CB 4.11Å; V309-V338 HydrophobicContact CG2-CG2 4.39Å; V309-V340 HydrophobicContact CG1-CG2 3.95Å |
| 310 | G | 92.3 | Very high | 81 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 124.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E328 V338 V340 | G310-E328 CarbonylContact C-O 3.23Å; G310-E328 WeakPolarHBondContact CA-O 3.29Å; G310-V338 PolarHBondContact N-O 3.39Å; G310-V340 PolarHBondContact O-N 2.95Å |
| 311 | V | 90.2 | Very high | 79.4 | Confident | 16 Ų | 16 | 54 Ų | 54 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 111.5 | -174.7 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | V309 L313 I317 E328 K329 T330 V340 | V309-V311 HydrophobicContact CG1-CG2 4.35Å; V311-L313 HydrophobicContact CG1-CB 4.32Å; V311-I317 HydrophobicContact CB-CD1 4.21Å; V311-I317 HydrophobicContact CG1-CD1 3.4Å; V311-I317 VanDerWaalsContact CG1-CD1 3.4Å; V311-I317 HydrophobicContact CG1-CG1 4.16Å; V311-I317 HydrophobicContact CG2-CD1 3.76Å; V311-E328 PolarHBondContact N-O 3.19Å; V311-K329 WeakPolarHBondContact O-CA 2.96Å; V311-T330 CarbonylContact C-O 3.54Å; V311-T330 VanDerWaalsContact C-O 3.23Å; V311-T330 PolarHBondContact O-N 3.28Å; V311-T330 VanDerWaalsContact O-O 3.13Å; V311-V340 HydrophobicContact CG2-CB 4.36Å; V311-V340 HydrophobicContact CG2-CG2 4.34Å |
| 312 | A | 88.8 | Confident | 78 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | trans | -96.1 | -5.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T330 F339 V340 | A312-T330 WeakPolarHBondContact CA-O 3.22Å; A312-T330 PolarHBondContact N-O 2.83Å; A312-F339 HydrophobicContact CB-CE2 3.79Å; A312-F339 HydrophobicContact CB-CZ 3.97Å; A312-V340 PolarHBondContact N-O 2.92Å | ||
| 313 | L | 80.2 | Confident | 77.2 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | trans | -76.9 | 135.6 | 177.1 | -71.4 | 175.5 | 0 | 0 | 0 | 111.5 | E282 L285 V311 V340 P342 | E282-L313 HydrophobicContact CG-CD2 3.98Å; L285-L313 HydrophobicContact CD2-CD1 3.37Å; V311-L313 HydrophobicContact CG1-CB 4.32Å; L313-V340 HydrophobicContact CD1-CG1 3.72Å; L313-V340 HydrophobicContact CG-CG1 4.3Å; L313-P342 HydrophobicContact CD2-CB 3.85Å | ||
| 314 | N | 68.9 | Low | 76.7 | Confident | 130 Ų | 130 | 61.3 Ų | 61.3 | 70% | 0.695 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -76.8 | -30.8 | 176.7 | -76.2 | -33.3 | 0 | 0 | 0 | 112.8 | ||
| 315 | N | 63.8 | Low | 76.6 | Confident | 134 Ų | 134 | 59.7 Ų | 59.7 | 72% | 0.717 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -128.2 | 141.4 | -179.5 | -63.2 | -22.8 | 0 | 0 | 0 | 109.1 | ||
| 316 | G | 57.8 | Low | 76.6 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 14% | 0.144 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 111.9 | 19.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | L285 | L285-G316 CarbonylContact C-O 3.17Å; L285-G316 VanDerWaalsContact C-O 3.23Å; L285-G316 WeakPolarHBondContact CB-O 3.39Å |
| 317 | I | 61.2 | Low | 76.6 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 14% | 0.138 | 32% | 0.32 | C | S | . | . | trans | -128.1 | 33.7 | 171.2 | -46.4 | -172.6 | 0 | 0 | 0 | 111.8 | V311 I319 A320 M327 V340 | V311-I317 HydrophobicContact CB-CD1 4.21Å; V311-I317 HydrophobicContact CG1-CD1 3.4Å; V311-I317 VanDerWaalsContact CG1-CD1 3.4Å; V311-I317 HydrophobicContact CG1-CG1 4.16Å; V311-I317 HydrophobicContact CG2-CD1 3.76Å; I317-I319 PolarHBondContact O-N 2.92Å; I317-A320 HydrophobicContact CG2-CB 3.46Å; I317-A320 VanDerWaalsContact CG2-CB 3.46Å; I317-M327 HydrophobicContact CG2-SD 4.23Å; I317-V340 HydrophobicContact CD1-CB 3.91Å; I317-V340 HydrophobicContact CD1-CG1 3.43Å; I317-V340 VanDerWaalsContact CD1-CG1 3.43Å; I317-V340 HydrophobicContact CD1-CG2 4.05Å | ||
| 318 | N | 59.3 | Low | 76.6 | Confident | 151 Ų | 151 | 56.4 Ų | 56.4 | 81% | 0.807 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -69.6 | -15.8 | 172.1 | -75.3 | -8.9 | 0 | 0 | 0 | 112.7 | T321 | N318-T321 PolarHBondContact O-OG1 3.04Š|
| 319 | I | 53.8 | Low | 76.4 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -94.4 | -23.8 | -172.1 | -66.2 | 160.6 | 0 | 0 | 0 | 112.2 | S286 A287 E288 A291 I317 | S286-I319 VanDerWaalsContact C-CD1 3.49Å; S286-I319 WeakPolarHBondContact O-CD1 3.45Å; A287-I319 VanDerWaalsContact C-CD1 3.42Å; A287-I319 WeakPolarHBondContact O-CD1 3.27Å; E288-I319 HydrophobicContact CB-CD1 4.47Å; E288-I319 HydrophobicContact CG-CD1 4.11Å; A291-I319 VanDerWaalsContact CA-CG2 3.41Å; A291-I319 HydrophobicContact CB-CG2 3.22Å; I317-I319 PolarHBondContact O-N 2.92Å |
| 320 | A | 57.1 | Low | 76.2 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 5% | 0.05 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -90.3 | -0.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L298 I317 N322 S323 M327 | L298-A320 HydrophobicContact CD1-CB 3.44Å; L298-A320 VanDerWaalsContact CD1-CB 3.44Å; I317-A320 HydrophobicContact CG2-CB 3.46Å; I317-A320 VanDerWaalsContact CG2-CB 3.46Å; A320-N322 PolarHBondContact O-N 3.2Å; A320-N322 VanDerWaalsContact O-N 3.11Å; A320-S323 VanDerWaalsContact O-CB 3.27Å; A320-S323 WeakPolarHBondContact O-CB 3.18Å; A320-S323 PolarHBondContact O-N 3.45Å; A320-S323 PolarHBondContact O-OG 2.92Å; A320-M327 HydrophobicContact CB-CE 3.66Å; A320-M327 HydrophobicContact CB-SD 4.34Å; A320-M327 WeakPolarHBondContact O-CE 3.21Å |
| 321 | T | 61.4 | Low | 76.1 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -56.8 | -20.6 | 168.7 | 33.9 | 0 | 0 | 0 | 0 | 112.7 | N318 | N318-T321 PolarHBondContact O-OG1 3.04Š|
| 322 | N | 66.1 | Low | 76.2 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 73% | 0.727 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -90.8 | 8.4 | 176.1 | -66.6 | -19.6 | 0 | 0 | 0 | 114.5 | A320 G324 | A320-N322 PolarHBondContact O-N 3.2Å; A320-N322 VanDerWaalsContact O-N 3.11Å; N322-G324 VanDerWaalsContact C-N 3.31Å |
| 323 | S | 77.4 | Confident | 76.4 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 5% | 0.049 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -71.5 | -24.4 | 177.5 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | H299 A320 L325 | H299-S323 PolarHBondContact CE1-O 3.45Å; H299-S323 PolarHBondContact NE2-O 3.28Å; A320-S323 VanDerWaalsContact O-CB 3.27Å; A320-S323 WeakPolarHBondContact O-CB 3.18Å; A320-S323 PolarHBondContact O-N 3.45Å; A320-S323 PolarHBondContact O-OG 2.92Å; S323-L325 VanDerWaalsContact C-N 3.26Å; S323-L325 PolarHBondContact OG-N 3.11Å |
| 324 | G | 83.4 | Confident | 76.8 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 78% | 0.784 | 41% | 0.405 | S | S | * | . | trans | 80.3 | 2.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N322 | N322-G324 VanDerWaalsContact C-N 3.31Š| ||
| 325 | L | 88.5 | Confident | 78 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 11% | 0.105 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -88.8 | 150.1 | 173.8 | -63.1 | 173 | 0 | 0 | 0 | 111 | L298 D302 V309 S323 M327 | L298-L325 HydrophobicContact CB-CD1 3.94Å; D302-L325 HydrophobicContact CB-CD1 4.11Å; D302-L325 HydrophobicContact CB-CD2 4.49Å; V309-L325 HydrophobicContact CG2-CB 3.98Å; V309-L325 HydrophobicContact CG2-CD1 4.09Å; S323-L325 VanDerWaalsContact C-N 3.26Å; S323-L325 PolarHBondContact OG-N 3.11Å; L325-M327 PolarHBondContact O-N 3.4Å |
| 326 | K | 90.8 | Very high | 79.4 | Confident | 141 Ų | 141 | 67.9 Ų | 67.9 | 61% | 0.613 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 117.2 | 177.8 | -179.9 | 175.2 | 171.7 | -171 | 0 | 109.8 | V308 V309 | V308-K326 CarbonylContact C-O 3.57Å; V308-K326 WeakPolarHBondContact CA-O 3.36Å; V308-K326 HydrophobicContact CG2-CD 3.94Å; V308-K326 HydrophobicContact CG2-CG 4.34Å; V309-K326 PolarHBondContact N-O 2.96Å |
| 327 | M | 89.5 | Confident | 81.3 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 27% | 0.271 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 140.2 | 179.4 | -61 | -167.1 | 161.7 | 0 | 0 | 112.2 | L298 V309 I317 A320 L325 | L298-M327 HydrophobicContact CD1-CE 3.44Å; L298-M327 VanDerWaalsContact CD1-CE 3.44Å; V309-M327 HydrophobicContact CB-CG 4.2Å; V309-M327 HydrophobicContact CG1-CE 4.36Å; V309-M327 WeakPolarHBondContact O-CA 3.22Å; I317-M327 HydrophobicContact CG2-SD 4.23Å; A320-M327 HydrophobicContact CB-CE 3.66Å; A320-M327 HydrophobicContact CB-SD 4.34Å; A320-M327 WeakPolarHBondContact O-CE 3.21Å; L325-M327 PolarHBondContact O-N 3.4Å |
| 328 | E | 90.6 | Very high | 82.9 | Confident | 70 Ų | 70 | 66.1 Ų | 66.1 | 33% | 0.327 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 129.7 | 176.1 | -171.8 | -172 | 140.4 | 0 | 0 | 109.7 | V308 V309 G310 V311 T330 K333 | V308-E328 HydrophobicContact CG1-CB 3.62Å; V309-E328 PolarHBondContact O-N 3.29Å; G310-E328 CarbonylContact C-O 3.23Å; G310-E328 WeakPolarHBondContact CA-O 3.29Å; V311-E328 PolarHBondContact N-O 3.19Å; E328-T330 HydrophobicContact CB-CG2 4.22Å; E328-T330 HydrophobicContact CG-CG2 4.1Å; E328-T330 PolarHBondContact O-N 2.73Å; E328-T330 WeakPolarHBondContact OE1-CB 3.23Å; E328-K333 IonicContact OE1-NZ 2.71Å; E328-K333 PolarHBondContact OE1-NZ 2.9Å; E328-K333 IonicContact OE2-NZ 2.8Å; E328-K333 PolarHBondContact OE2-NZ 2.84Å |
| 329 | K | 90.1 | Very high | 84.6 | Confident | 156 Ų | 156 | 59 Ų | 59 | 68% | 0.678 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 106.5 | 171.2 | -172.9 | 172.9 | -175.9 | 173.3 | 0 | 108.9 | V311 | V311-K329 WeakPolarHBondContact O-CA 2.96Å |
| 330 | T | 90.1 | Very high | 86.4 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | trans | -160 | 159.8 | -170.2 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | V311 A312 E328 L336 | V311-T330 CarbonylContact C-O 3.54Å; V311-T330 VanDerWaalsContact C-O 3.23Å; V311-T330 PolarHBondContact O-N 3.28Å; V311-T330 VanDerWaalsContact O-O 3.13Å; A312-T330 WeakPolarHBondContact CA-O 3.22Å; A312-T330 PolarHBondContact N-O 2.83Å; E328-T330 HydrophobicContact CB-CG2 4.22Å; E328-T330 HydrophobicContact CG-CG2 4.1Å; E328-T330 PolarHBondContact O-N 2.73Å; E328-T330 WeakPolarHBondContact OE1-CB 3.23Å; T330-L336 HydrophobicContact CG2-CD2 4.35Å | ||
| 331 | G | 89.4 | Confident | 88 | Confident | 42 Ų | 42 | 57.1 Ų | 57.1 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -72 | -171.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K333 | G331-K333 PolarHBondContact O-N 3.5Š|
| 332 | F | 92.3 | Very high | 89.2 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | trans | -64.4 | 132.7 | 175 | 176 | -105.1 | 0 | 0 | 0 | 111.3 | K334 F339 S347 E351 I352 F355 | F332-K334 HydrophobicContact CE1-CG 4.16Å; F332-K334 HydrophobicContact CZ-CG 4.35Å; F332-F339 HydrophobicContact CB-CD1 4.44Å; F332-F339 HydrophobicContact CB-CD2 4.49Å; F332-F339 HydrophobicContact CB-CE1 3.97Å; F332-F339 HydrophobicContact CB-CE2 4.05Å; F332-F339 HydrophobicContact CB-CZ 3.77Å; F332-F339 HydrophobicContact CD2-CB 4.39Å; F332-F339 AromaticContact CD2-CD1 3.75Å; F332-F339 HydrophobicContact CD2-CD1 3.75Å; F332-F339 HydrophobicContact CD2-CD2 4.39Å; F332-F339 HydrophobicContact CD2-CE1 4.08Å; F332-F339 AromaticContact CD2-CG 3.92Å; F332-F339 HydrophobicContact CD2-CG 3.92Å; F332-F339 HydrophobicContact CG-CE1 4.46Å; F332-S347 WeakPolarHBondContact CB-OG 3.35Å; F332-E351 HydrophobicContact CD1-CB 4.45Å; F332-E351 HydrophobicContact CE1-CB 3.67Å; F332-E351 HydrophobicContact CZ-CB 4.23Å; F332-E351 WeakPolarHBondContact CZ-O 3.15Å; F332-I352 HydrophobicContact CD1-CG1 4.46Å; F332-I352 HydrophobicContact CD2-CG1 3.86Å; F332-I352 HydrophobicContact CE2-CG1 4.04Å; F332-I352 HydrophobicContact CG-CG1 4.07Å; F332-I352 HydrophobicContact CZ-CG1 4.41Å; F332-F355 HydrophobicContact CE2-CB 3.75Å; F332-F355 AromaticContact CE2-CD1 3.9Å; F332-F355 HydrophobicContact CE2-CD1 3.9Å; F332-F355 HydrophobicContact CE2-CD2 4.36Å; F332-F355 AromaticContact CE2-CG 3.74Å; F332-F355 HydrophobicContact CE2-CG 3.74Å; F332-F355 HydrophobicContact CZ-CB 3.68Å; F332-F355 HydrophobicContact CZ-CG 4.11Å | ||
| 333 | K | 92.1 | Very high | 89.9 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 25% | 0.252 | 26% | 0.262 | S | S | . | . | trans | -136 | 147.9 | 168.5 | -56.4 | 179 | -69.3 | -178.6 | 0 | 109 | E328 G331 D335 L336 | E328-K333 IonicContact OE1-NZ 2.71Å; E328-K333 PolarHBondContact OE1-NZ 2.9Å; E328-K333 IonicContact OE2-NZ 2.8Å; E328-K333 PolarHBondContact OE2-NZ 2.84Å; G331-K333 PolarHBondContact O-N 3.5Å; K333-D335 VanDerWaalsContact C-N 3.29Å; K333-D335 WeakPolarHBondContact CB-OD1 3.44Å; K333-D335 PolarHBondContact O-N 2.82Å; K333-L336 HydrophobicContact CB-CD1 4.38Å; K333-L336 HydrophobicContact CB-CG 4.04Å; K333-L336 WeakPolarHBondContact O-CG 3.49Å | ||
| 334 | K | 90.2 | Very high | 89.9 | Confident | 150 Ų | 150 | 51.9 Ų | 51.9 | 65% | 0.652 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.2 | -175.6 | -64.4 | -179.7 | -179.1 | 175.6 | 0 | 113.8 | F332 E351 | F332-K334 HydrophobicContact CE1-CG 4.16Å; F332-K334 HydrophobicContact CZ-CG 4.35Å; K334-E351 WeakPolarHBondContact CE-OE2 3.36Å; K334-E351 IonicContact NZ-OE2 3.75Å |
| 335 | D | 92.4 | Very high | 89.7 | Confident | 118 Ų | 118 | 49.2 Ų | 49.2 | 63% | 0.631 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 3.4 | -177.8 | 67.3 | -32.7 | 0 | 0 | 0 | 113.7 | K333 | K333-D335 VanDerWaalsContact C-N 3.29Å; K333-D335 WeakPolarHBondContact CB-OD1 3.44Å; K333-D335 PolarHBondContact O-N 2.82Å |
| 336 | L | 95 | Very high | 88.8 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | trans | -65.3 | 155.2 | 173.5 | -62.5 | 177.1 | 0 | 0 | 0 | 110.6 | V308 T330 K333 F339 F355 | V308-L336 HydrophobicContact CB-CD2 4.08Å; V308-L336 HydrophobicContact CG1-CD2 3.91Å; T330-L336 HydrophobicContact CG2-CD2 4.35Å; K333-L336 HydrophobicContact CB-CD1 4.38Å; K333-L336 HydrophobicContact CB-CG 4.04Å; K333-L336 WeakPolarHBondContact O-CG 3.49Å; L336-F339 HydrophobicContact CD1-CB 4.09Å; L336-F339 HydrophobicContact CD1-CD2 3.81Å; L336-F339 HydrophobicContact CD1-CG 4.31Å; L336-F355 HydrophobicContact CB-CE2 4.38Å; L336-F355 HydrophobicContact CB-CZ 4.23Å; L336-F355 WeakPolarHBondContact O-CE2 3.22Å | ||
| 337 | S | 95.8 | Very high | 88 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -89.7 | -39.1 | 164.9 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | D302 R305 V308 G361 | D302-S337 WeakPolarHBondContact OD1-CB 3.41Å; D302-S337 PolarHBondContact OD1-OG 3.2Å; R305-S337 WeakPolarHBondContact CB-OG 3.48Å; R305-S337 PolarHBondContact NE-OG 3.45Å; R305-S337 PolarHBondContact NH2-O 3.21Å; V308-S337 PolarHBondContact O-N 3.29Å; S337-G361 PolarHBondContact O-N 3.43Å |
| 338 | V | 95.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 132.8 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | L298 L301 D302 V308 V309 G310 V340 G361 | L298-V338 HydrophobicContact CD2-CG1 4.25Å; L301-V338 HydrophobicContact CB-CG1 4.06Å; L301-V338 HydrophobicContact CB-CG2 3.82Å; L301-V338 HydrophobicContact CD1-CG1 3.99Å; D302-V338 HydrophobicContact CB-CG2 3.94Å; V308-V338 PolarHBondContact O-N 2.56Å; V309-V338 CarbonylContact C-O 3.53Å; V309-V338 WeakPolarHBondContact CA-O 3.39Å; V309-V338 HydrophobicContact CB-CB 4.45Å; V309-V338 HydrophobicContact CG1-CB 4.13Å; V309-V338 HydrophobicContact CG1-CG1 4.35Å; V309-V338 HydrophobicContact CG2-CB 4.11Å; V309-V338 HydrophobicContact CG2-CG2 4.39Å; G310-V338 PolarHBondContact N-O 3.39Å; V338-V340 HydrophobicContact CG1-CG2 4.41Å; V338-G361 CarbonylContact C-O 3.58Å; V338-G361 WeakPolarHBondContact CA-O 3.36Å |
| 339 | F | 94.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.7 | 171.7 | -179.6 | -128.7 | 0 | 0 | 0 | 110.2 | A312 F332 L336 S341 I352 F355 G361 L362 L363 | A312-F339 HydrophobicContact CB-CE2 3.79Å; A312-F339 HydrophobicContact CB-CZ 3.97Å; F332-F339 HydrophobicContact CB-CD1 4.44Å; F332-F339 HydrophobicContact CB-CD2 4.49Å; F332-F339 HydrophobicContact CB-CE1 3.97Å; F332-F339 HydrophobicContact CB-CE2 4.05Å; F332-F339 HydrophobicContact CB-CZ 3.77Å; F332-F339 HydrophobicContact CD2-CB 4.39Å; F332-F339 AromaticContact CD2-CD1 3.75Å; F332-F339 HydrophobicContact CD2-CD1 3.75Å; F332-F339 HydrophobicContact CD2-CD2 4.39Å; F332-F339 HydrophobicContact CD2-CE1 4.08Å; F332-F339 AromaticContact CD2-CG 3.92Å; F332-F339 HydrophobicContact CD2-CG 3.92Å; F332-F339 HydrophobicContact CG-CE1 4.46Å; L336-F339 HydrophobicContact CD1-CB 4.09Å; L336-F339 HydrophobicContact CD1-CD2 3.81Å; L336-F339 HydrophobicContact CD1-CG 4.31Å; F339-S341 VanDerWaalsContact CE1-CB 3.43Å; F339-I352 HydrophobicContact CD1-CD1 4.43Å; F339-I352 HydrophobicContact CD1-CG1 4.49Å; F339-I352 HydrophobicContact CE1-CD1 3.91Å; F339-I352 HydrophobicContact CE1-CG1 4.37Å; F339-F355 HydrophobicContact CB-CE1 3.97Å; F339-G361 PolarHBondContact N-O 3.07Å; F339-L362 HydrophobicContact CD1-CD1 3.92Å; F339-L363 PolarHBondContact O-N 2.97Å |
| 340 | V | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 104.6 | 174.3 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | L285 L298 V309 G310 V311 A312 L313 I317 V338 L363 | L285-V340 HydrophobicContact CD2-CG1 4.34Å; L298-V340 HydrophobicContact CD2-CG2 4.47Å; V309-V340 HydrophobicContact CG1-CG2 3.95Å; G310-V340 PolarHBondContact O-N 2.95Å; V311-V340 HydrophobicContact CG2-CB 4.36Å; V311-V340 HydrophobicContact CG2-CG2 4.34Å; A312-V340 PolarHBondContact N-O 2.92Å; L313-V340 HydrophobicContact CD1-CG1 3.72Å; L313-V340 HydrophobicContact CG-CG1 4.3Å; I317-V340 HydrophobicContact CD1-CB 3.91Å; I317-V340 HydrophobicContact CD1-CG1 3.43Å; I317-V340 VanDerWaalsContact CD1-CG1 3.43Å; I317-V340 HydrophobicContact CD1-CG2 4.05Å; V338-V340 HydrophobicContact CG1-CG2 4.41Å; V340-L363 CarbonylContact C-O 3.49Å; V340-L363 WeakPolarHBondContact CA-O 3.3Å; V340-L363 HydrophobicContact CB-CB 4.43Å; V340-L363 HydrophobicContact CG1-CB 4.21Å; V340-L363 HydrophobicContact CG1-CD2 3.67Å; V340-L363 HydrophobicContact CG1-CG 4.4Å; V340-L363 HydrophobicContact CG2-CB 4.11Å |
| 341 | S | 90.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 145.8 | -170.2 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | F339 P345 L363 G365 | F339-S341 VanDerWaalsContact CE1-CB 3.43Å; S341-P345 WeakPolarHBondContact OG-CB 3.13Å; S341-L363 PolarHBondContact N-O 3.39Å; S341-G365 PolarHBondContact O-N 2.89Å; S341-G365 VanDerWaalsContact O-N 3.15Å |
| 342 | P | 86.8 | Confident | 87.7 | Confident | 36 Ų | 36 | 56.4 Ų | 56.4 | 23% | 0.234 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 159.4 | 156.1 | 29.7 | -34.6 | 0 | 0 | 0 | 111 | L313 N344 P345 G365 | L313-P342 HydrophobicContact CD2-CB 3.85Å; P342-N344 PolarHBondContact O-N 3.1Å; P342-N344 VanDerWaalsContact O-N 3.13Å; P342-P345 WeakPolarHBondContact O-CD 3.44Å; P342-G365 CarbonylContact C-O 3.53Å |
| 343 | S | 79.9 | Confident | 87.8 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -64.3 | -9.7 | 176.2 | 59.6 | 0 | 0 | 0 | 0 | 115.4 | G365 G366 F384 G386 | S343-G365 PolarHBondContact N-O 3.23Å; S343-G366 VanDerWaalsContact CB-CA 3.49Å; S343-G366 WeakPolarHBondContact OG-CA 3.31Å; S343-F384 WeakPolarHBondContact O-CZ 3.41Å; S343-G386 WeakPolarHBondContact O-CA 3.35Å; S343-G386 PolarHBondContact O-N 3.2Å |
| 344 | N | 78.8 | Confident | 87.9 | Confident | 83 Ų | 83 | 54.9 Ų | 54.9 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -139 | 77.3 | 173 | -168.3 | 33.9 | 0 | 0 | 0 | 109.7 | P342 F384 G385 | P342-N344 PolarHBondContact O-N 3.1Å; P342-N344 VanDerWaalsContact O-N 3.13Å; N344-F384 HydrophobicContact CB-CE2 4.35Å; N344-G385 VanDerWaalsContact OD1-CA 3.24Å; N344-G385 WeakPolarHBondContact OD1-CA 3.22Å; N344-G385 PolarHBondContact OD1-N 2.89Å |
| 345 | P | 78.2 | Confident | 88.1 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | trans | -66.8 | 147.3 | -177.1 | 25.7 | -30.1 | 0 | 0 | 0 | 111.8 | S341 P342 S347 I352 I389 | S341-P345 WeakPolarHBondContact OG-CB 3.13Å; P342-P345 WeakPolarHBondContact O-CD 3.44Å; P345-S347 VanDerWaalsContact C-N 3.25Å; P345-S347 PolarHBondContact O-N 3.36Å; P345-I352 HydrophobicContact CB-CD1 4.16Å; P345-I352 HydrophobicContact CG-CD1 3.94Å; P345-I389 HydrophobicContact CG-CD1 3.58Å | ||
| 346 | Q | 70.3 | Confident | 88.3 | Confident | 210 Ų | 210 | 42.9 Ų | 42.9 | 98% | 0.981 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -80.2 | -5.5 | 174.2 | -67 | -172 | -13 | 0 | 0 | 113.3 | ||
| 347 | S | 72.8 | Confident | 88.3 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 32% | 0.322 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -81.5 | 162.1 | 178.7 | -53.7 | 0 | 0 | 0 | 0 | 112.5 | F332 P345 W349 | F332-S347 WeakPolarHBondContact CB-OG 3.35Å; P345-S347 VanDerWaalsContact C-N 3.25Å; P345-S347 PolarHBondContact O-N 3.36Å; S347-W349 PolarHBondContact O-N 3.26Å |
| 348 | H | 80.7 | Confident | 88.2 | Confident | 137 Ų | 137 | 46.7 Ų | 46.7 | 63% | 0.634 | 23% | 0.229 | S | C | * | . | trans | -63.9 | 119 | 170.7 | -69 | -75.5 | 0 | 0 | 0 | 110.6 | E350 E351 | H348-E350 VanDerWaalsContact C-N 3.28Å; H348-E350 PolarHBondContact O-N 3.15Å; H348-E351 HydrophobicContact CB-CG 4.18Å; H348-E351 PolarHBondContact O-N 3.39Å; H348-E351 VanDerWaalsContact O-N 3.15Å | ||
| 349 | W | 86.9 | Confident | 88.1 | Confident | 93 Ų | 93 | 47.3 Ų | 47.3 | 35% | 0.352 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.6 | -32.9 | -175.7 | 54.4 | -90.4 | 0 | 0 | 0 | 112.9 | S347 E351 I352 Q353 K388 I389 | S347-W349 PolarHBondContact O-N 3.26Å; W349-E351 VanDerWaalsContact C-N 3.3Å; W349-E351 PolarHBondContact O-N 3.13Å; W349-I352 PolarHBondContact O-N 2.79Å; W349-Q353 PolarHBondContact O-N 2.67Å; W349-K388 HydrophobicContact CG-CB 4.31Å; W349-I389 HydrophobicContact CB-CD1 4.25Å; W349-I389 HydrophobicContact CB-CG1 3.61Å |
| 350 | E | 89.5 | Confident | 88.2 | Confident | 107 Ų | 107 | 47.4 Ų | 47.4 | 50% | 0.5 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.4 | -35.8 | 175.7 | -66.8 | 173.7 | -177.4 | 0 | 0 | 112.4 | H348 Q353 N354 | H348-E350 VanDerWaalsContact C-N 3.28Å; H348-E350 PolarHBondContact O-N 3.15Å; E350-Q353 PolarHBondContact O-N 3.15Å; E350-N354 WeakPolarHBondContact O-CB 3.24Å; E350-N354 VanDerWaalsContact O-CG 3.25Å; E350-N354 PolarHBondContact O-N 2.95Å; E350-N354 PolarHBondContact O-ND2 3.3Å |
| 351 | E | 92.6 | Very high | 88.5 | Confident | 73 Ų | 73 | 47.4 Ų | 47.4 | 34% | 0.341 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.4 | -36.4 | 178.3 | -63.6 | -167.2 | -170.6 | 0 | 0 | 111.8 | F332 K334 H348 W349 F355 | F332-E351 HydrophobicContact CD1-CB 4.45Å; F332-E351 HydrophobicContact CE1-CB 3.67Å; F332-E351 HydrophobicContact CZ-CB 4.23Å; F332-E351 WeakPolarHBondContact CZ-O 3.15Å; K334-E351 WeakPolarHBondContact CE-OE2 3.36Å; K334-E351 IonicContact NZ-OE2 3.75Å; H348-E351 HydrophobicContact CB-CG 4.18Å; H348-E351 PolarHBondContact O-N 3.39Å; H348-E351 VanDerWaalsContact O-N 3.15Å; W349-E351 VanDerWaalsContact C-N 3.3Å; W349-E351 PolarHBondContact O-N 3.13Å; E351-F355 VanDerWaalsContact O-CB 3.3Å; E351-F355 WeakPolarHBondContact O-CB 3.15Å; E351-F355 PolarHBondContact O-N 3.48Å |
| 352 | I | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.9 | -43.1 | 175.8 | -63.2 | 170 | 0 | 0 | 0 | 110 | F332 F339 P345 W349 F355 V356 L362 I389 | F332-I352 HydrophobicContact CD1-CG1 4.46Å; F332-I352 HydrophobicContact CD2-CG1 3.86Å; F332-I352 HydrophobicContact CE2-CG1 4.04Å; F332-I352 HydrophobicContact CG-CG1 4.07Å; F332-I352 HydrophobicContact CZ-CG1 4.41Å; F339-I352 HydrophobicContact CD1-CD1 4.43Å; F339-I352 HydrophobicContact CD1-CG1 4.49Å; F339-I352 HydrophobicContact CE1-CD1 3.91Å; F339-I352 HydrophobicContact CE1-CG1 4.37Å; P345-I352 HydrophobicContact CB-CD1 4.16Å; P345-I352 HydrophobicContact CG-CD1 3.94Å; W349-I352 PolarHBondContact O-N 2.79Å; I352-F355 WeakPolarHBondContact O-CB 3.46Å; I352-F355 PolarHBondContact O-N 2.65Å; I352-V356 WeakPolarHBondContact O-CG2 3.42Å; I352-V356 PolarHBondContact O-N 3.41Å; I352-L362 HydrophobicContact CG2-CD1 3.89Å; I352-L362 HydrophobicContact CG2-CD2 3.84Å; I352-L362 HydrophobicContact CG2-CG 4.49Å; I352-I389 HydrophobicContact CB-CD1 4.38Å; I352-I389 HydrophobicContact CD1-CD1 3.8Å; I352-I389 HydrophobicContact CG2-CD1 4.27Å; I352-I389 HydrophobicContact CG2-CG2 4.1Å |
| 353 | Q | 94 | Very high | 89.2 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 175.6 | -75.1 | 171.1 | -23.3 | 0 | 0 | 111.9 | Y271 W349 E350 F355 V356 A357 K388 I389 M393 | Y271-Q353 HydrophobicContact CE1-CB 4.47Å; W349-Q353 PolarHBondContact O-N 2.67Å; E350-Q353 PolarHBondContact O-N 3.15Å; Q353-F355 VanDerWaalsContact C-N 3.34Å; Q353-F355 PolarHBondContact O-N 2.91Å; Q353-V356 PolarHBondContact O-N 3.29Å; Q353-A357 WeakPolarHBondContact O-CB 3.46Å; Q353-A357 PolarHBondContact O-N 3.43Å; Q353-K388 PolarHBondContact NE2-O 3.31Å; Q353-I389 HydrophobicContact CG-CG2 4.25Å; Q353-M393 HydrophobicContact CG-CE 4.18Å |
| 354 | N | 93.9 | Very high | 89.7 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 23% | 0.23 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 176 | -75.4 | -41 | 0 | 0 | 0 | 111.6 | E350 V356 A357 E358 | E350-N354 WeakPolarHBondContact O-CB 3.24Å; E350-N354 VanDerWaalsContact O-CG 3.25Å; E350-N354 PolarHBondContact O-N 2.95Å; E350-N354 PolarHBondContact O-ND2 3.3Å; N354-V356 VanDerWaalsContact C-N 3.31Å; N354-V356 PolarHBondContact O-N 2.83Å; N354-A357 PolarHBondContact O-N 3.46Å; N354-E358 WeakPolarHBondContact O-CB 3.43Å; N354-E358 VanDerWaalsContact O-CG 3.24Å; N354-E358 WeakPolarHBondContact O-CG 3.47Å; N354-E358 PolarHBondContact O-N 3Å |
| 355 | F | 95.6 | Very high | 90.2 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.7 | -46 | 175.9 | 164.3 | -105 | 0 | 0 | 0 | 112.3 | F332 L336 F339 E351 I352 Q353 G359 G360 G361 | F332-F355 HydrophobicContact CE2-CB 3.75Å; F332-F355 AromaticContact CE2-CD1 3.9Å; F332-F355 HydrophobicContact CE2-CD1 3.9Å; F332-F355 HydrophobicContact CE2-CD2 4.36Å; F332-F355 AromaticContact CE2-CG 3.74Å; F332-F355 HydrophobicContact CE2-CG 3.74Å; F332-F355 HydrophobicContact CZ-CB 3.68Å; F332-F355 HydrophobicContact CZ-CG 4.11Å; L336-F355 HydrophobicContact CB-CE2 4.38Å; L336-F355 HydrophobicContact CB-CZ 4.23Å; L336-F355 WeakPolarHBondContact O-CE2 3.22Å; F339-F355 HydrophobicContact CB-CE1 3.97Å; E351-F355 VanDerWaalsContact O-CB 3.3Å; E351-F355 WeakPolarHBondContact O-CB 3.15Å; E351-F355 PolarHBondContact O-N 3.48Å; I352-F355 WeakPolarHBondContact O-CB 3.46Å; I352-F355 PolarHBondContact O-N 2.65Å; Q353-F355 VanDerWaalsContact C-N 3.34Å; Q353-F355 PolarHBondContact O-N 2.91Å; F355-G359 PolarHBondContact O-N 3.21Å; F355-G360 VanDerWaalsContact CZ-CA 3.41Å; F355-G360 VanDerWaalsContact O-CA 3.31Å; F355-G360 WeakPolarHBondContact O-CA 3.44Å; F355-G360 PolarHBondContact O-N 3.45Å; F355-G361 WeakPolarHBondContact CE1-O 3.44Å |
| 356 | V | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.3 | -47.2 | 175.4 | -179 | 0 | 0 | 0 | 0 | 110.7 | Y271 G274 V276 I352 Q353 N354 E358 G359 L362 M393 | Y271-V356 HydrophobicContact CD1-CB 4.21Å; Y271-V356 HydrophobicContact CD1-CG1 3.99Å; Y271-V356 HydrophobicContact CG-CG1 4.49Å; G274-V356 WeakPolarHBondContact CA-O 3.48Å; G274-V356 PolarHBondContact N-O 2.69Å; V276-V356 HydrophobicContact CG2-CG1 3.66Å; I352-V356 WeakPolarHBondContact O-CG2 3.42Å; I352-V356 PolarHBondContact O-N 3.41Å; Q353-V356 PolarHBondContact O-N 3.29Å; N354-V356 VanDerWaalsContact C-N 3.31Å; N354-V356 PolarHBondContact O-N 2.83Å; V356-E358 PolarHBondContact O-N 3.11Å; V356-E358 VanDerWaalsContact O-N 3.12Å; V356-G359 PolarHBondContact O-N 3.18Å; V356-L362 HydrophobicContact CG2-CB 3.47Å; V356-L362 VanDerWaalsContact CG2-CB 3.47Å; V356-L362 HydrophobicContact CG2-CD2 3.87Å; V356-L362 HydrophobicContact CG2-CG 4.28Å; V356-M393 HydrophobicContact CB-CE 3.94Å; V356-M393 HydrophobicContact CG1-CE 4.18Å; V356-M393 HydrophobicContact CG2-CE 3.84Å |
| 357 | A | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56 | -34.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y60 V187 Y271 G272 Q273 Q353 N354 G359 | Y60-A357 HydrophobicContact CE2-CB 4.11Å; V187-A357 WeakPolarHBondContact CG1-O 3.26Å; Y271-A357 HydrophobicContact CD1-CB 4.17Å; Y271-A357 HydrophobicContact CE1-CB 3.84Å; G272-A357 CarbonylContact C-O 3.57Å; G272-A357 WeakPolarHBondContact CA-O 3.33Å; Q273-A357 PolarHBondContact N-O 3.05Å; Q353-A357 WeakPolarHBondContact O-CB 3.46Å; Q353-A357 PolarHBondContact O-N 3.43Å; N354-A357 PolarHBondContact O-N 3.46Å; A357-G359 VanDerWaalsContact C-N 3.34Å |
| 358 | E | 94.4 | Very high | 92.2 | Very high | 93 Ų | 93 | 30.2 Ų | 30.2 | 44% | 0.435 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 3.3 | -179.8 | -65.9 | 172.7 | -140 | 0 | 0 | 114.1 | Y60 V148 K152 N354 V356 | Y60-E358 WeakPolarHBondContact OH-CG 3.41Å; Y60-E358 PolarHBondContact OH-OE1 3.02Å; V148-E358 HydrophobicContact CG1-CG 4.27Å; K152-E358 IonicContact NZ-OE1 2.69Å; K152-E358 PolarHBondContact NZ-OE1 2.96Å; N354-E358 WeakPolarHBondContact O-CB 3.43Å; N354-E358 VanDerWaalsContact O-CG 3.24Å; N354-E358 WeakPolarHBondContact O-CG 3.47Å; N354-E358 PolarHBondContact O-N 3Å; V356-E358 PolarHBondContact O-N 3.11Å; V356-E358 VanDerWaalsContact O-N 3.12Å |
| 359 | G | 93.9 | Very high | 92.8 | Very high | 13 Ų | 13 | 25.6 Ų | 25.6 | 13% | 0.134 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 119.6 | -1.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R305 F355 V356 A357 | R305-G359 PolarHBondContact NH1-O 2.79Å; R305-G359 PolarHBondContact NH2-O 3.11Å; F355-G359 PolarHBondContact O-N 3.21Å; V356-G359 PolarHBondContact O-N 3.18Å; A357-G359 VanDerWaalsContact C-N 3.34Å |
| 360 | G | 96.3 | Very high | 93 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | trans | -69 | 149.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | G274 R275 F355 | G274-G360 WeakPolarHBondContact CA-O 3.47Å; R275-G360 PolarHBondContact N-O 3.46Å; F355-G360 VanDerWaalsContact CZ-CA 3.41Å; F355-G360 VanDerWaalsContact O-CA 3.31Å; F355-G360 WeakPolarHBondContact O-CA 3.44Å; F355-G360 PolarHBondContact O-N 3.45Å | ||
| 361 | G | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 133.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R275 S337 V338 F339 F355 | R275-G361 CarbonylContact O-C 3.49Å; R275-G361 WeakPolarHBondContact O-CA 3.49Å; S337-G361 PolarHBondContact O-N 3.43Å; V338-G361 CarbonylContact C-O 3.58Å; V338-G361 WeakPolarHBondContact CA-O 3.36Å; F339-G361 PolarHBondContact N-O 3.07Å; F355-G361 WeakPolarHBondContact CE1-O 3.44Å |
| 362 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 130.4 | 177.1 | 176.1 | 65.5 | 0 | 0 | 0 | 111.2 | R275 V276 I277 L301 F339 I352 V356 I364 I389 M393 | R275-L362 PolarHBondContact O-N 2.93Å; V276-L362 CarbonylContact C-O 3.2Å; V276-L362 VanDerWaalsContact CA-O 3.27Å; V276-L362 WeakPolarHBondContact CA-O 3.43Å; V276-L362 HydrophobicContact CG1-CB 4.32Å; V276-L362 HydrophobicContact CG1-CD2 4.14Å; V276-L362 HydrophobicContact CG1-CG 4.29Å; V276-L362 HydrophobicContact CG2-CB 4.39Å; I277-L362 PolarHBondContact N-O 3.44Å; L301-L362 WeakPolarHBondContact CD2-O 3.23Å; F339-L362 HydrophobicContact CD1-CD1 3.92Å; I352-L362 HydrophobicContact CG2-CD1 3.89Å; I352-L362 HydrophobicContact CG2-CD2 3.84Å; I352-L362 HydrophobicContact CG2-CG 4.49Å; V356-L362 HydrophobicContact CG2-CB 3.47Å; V356-L362 VanDerWaalsContact CG2-CB 3.47Å; V356-L362 HydrophobicContact CG2-CD2 3.87Å; V356-L362 HydrophobicContact CG2-CG 4.28Å; L362-I364 HydrophobicContact CD1-CD1 4.45Å; L362-I364 HydrophobicContact CD1-CG1 3.95Å; L362-I364 HydrophobicContact CD2-CD1 4.05Å; L362-I364 HydrophobicContact CD2-CG1 4.07Å; L362-I364 HydrophobicContact CG-CD1 4.4Å; L362-I364 HydrophobicContact CG-CG1 3.89Å; L362-I389 HydrophobicContact CD2-CG2 3.84Å; L362-M393 HydrophobicContact CD2-CE 3.83Å; L362-M393 HydrophobicContact CD2-SD 3.92Å |
| 363 | L | 94.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.8 | 169.5 | -166.6 | 158.1 | 0 | 0 | 0 | 108.5 | I277 L285 W294 L298 L301 F339 V340 S341 | I277-L363 CarbonylContact O-C 3.59Å; I277-L363 WeakPolarHBondContact O-CA 3.43Å; L285-L363 HydrophobicContact CD1-CD2 4.39Å; L285-L363 HydrophobicContact CD2-CD2 3.44Å; L285-L363 VanDerWaalsContact CD2-CD2 3.44Å; L285-L363 HydrophobicContact CG-CD2 4.02Å; W294-L363 HydrophobicContact CE3-CD1 3.82Å; W294-L363 HydrophobicContact CH2-CD1 4.33Å; W294-L363 HydrophobicContact CZ3-CD1 3.43Å; W294-L363 VanDerWaalsContact CZ3-CD1 3.43Å; W294-L363 HydrophobicContact CZ3-CD2 4.42Å; W294-L363 HydrophobicContact CZ3-CG 4.12Å; L298-L363 HydrophobicContact CD2-CD1 4.43Å; L301-L363 HydrophobicContact CD1-CB 3.9Å; L301-L363 HydrophobicContact CD1-CD1 4.09Å; L301-L363 HydrophobicContact CD1-CG 4.41Å; F339-L363 PolarHBondContact O-N 2.97Å; V340-L363 CarbonylContact C-O 3.49Å; V340-L363 WeakPolarHBondContact CA-O 3.3Å; V340-L363 HydrophobicContact CB-CB 4.43Å; V340-L363 HydrophobicContact CG1-CB 4.21Å; V340-L363 HydrophobicContact CG1-CD2 3.67Å; V340-L363 HydrophobicContact CG1-CG 4.4Å; V340-L363 HydrophobicContact CG2-CB 4.11Å; S341-L363 PolarHBondContact N-O 3.39Å |
| 364 | I | 92.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.7 | 173.1 | -58.6 | -160.3 | 0 | 0 | 0 | 109.5 | I277 V278 A279 L362 I389 L390 | I277-I364 PolarHBondContact O-N 3.34Å; V278-I364 WeakPolarHBondContact CA-O 3.42Å; V278-I364 HydrophobicContact CG2-CB 4.45Å; A279-I364 PolarHBondContact N-O 3.39Å; L362-I364 HydrophobicContact CD1-CD1 4.45Å; L362-I364 HydrophobicContact CD1-CG1 3.95Å; L362-I364 HydrophobicContact CD2-CD1 4.05Å; L362-I364 HydrophobicContact CD2-CG1 4.07Å; L362-I364 HydrophobicContact CG-CD1 4.4Å; L362-I364 HydrophobicContact CG-CG1 3.89Å; I364-I389 HydrophobicContact CD1-CB 4.48Å; I364-I389 HydrophobicContact CD1-CD1 4.37Å; I364-I389 HydrophobicContact CD1-CG2 4.34Å; I364-L390 HydrophobicContact CD1-CD1 4.31Å; I364-L390 HydrophobicContact CD1-CD2 3.78Å; I364-L390 HydrophobicContact CD1-CG 3.95Å; I364-L390 HydrophobicContact CG1-CD2 4.31Å |
| 365 | G | 87.4 | Confident | 92.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E282 S341 P342 S343 | E282-G365 WeakPolarHBondContact CG-O 3.28Å; S341-G365 PolarHBondContact O-N 2.89Å; S341-G365 VanDerWaalsContact O-N 3.15Å; P342-G365 CarbonylContact C-O 3.53Å; S343-G365 PolarHBondContact N-O 3.23Å |
| 366 | G | 83.3 | Confident | 91.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | 154.2 | -171 | 159.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | A279 G280 E282 S343 L397 | A279-G366 PolarHBondContact O-N 2.79Å; G280-G366 CarbonylContact C-O 3.59Å; G280-G366 WeakPolarHBondContact CA-O 3.27Å; G280-G366 CarbonylContact O-C 3.57Å; E282-G366 WeakPolarHBondContact OE1-CA 3.48Å; E282-G366 VanDerWaalsContact OE2-CA 3.31Å; E282-G366 WeakPolarHBondContact OE2-CA 3.24Å; S343-G366 VanDerWaalsContact CB-CA 3.49Å; S343-G366 WeakPolarHBondContact OG-CA 3.31Å; G366-L397 WeakPolarHBondContact O-CD1 3.36Å | ||
| 367 | H | 88.8 | Confident | 90.8 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 19% | 0.185 | 24% | 0.235 | C | C | . | . | trans | -131.5 | 115.9 | -158.6 | 54.8 | -80.7 | 0 | 0 | 0 | 113 | S244 G280 H281 E282 W369 Y370 | S244-H367 VanDerWaalsContact OG-C 3.3Å; S244-H367 WeakPolarHBondContact OG-CA 3.35Å; S244-H367 WeakPolarHBondContact OG-CB 3.29Å; G280-H367 WeakPolarHBondContact O-CB 3.15Å; H281-H367 AromaticContact CD2-CG 3.76Å; H281-H367 AromaticContact CD2-ND1 3.47Å; H281-H367 PolarHBondContact CD2-ND1 3.49Å; H281-H367 AromaticContact NE2-ND1 3.84Å; E282-H367 IonicContact OE1-ND1 2.85Å; E282-H367 IonicContact OE2-CE1 3.56Å; E282-H367 PolarHBondContact OE2-CE1 2.93Å; E282-H367 IonicContact OE2-ND1 3.75Å; E282-H367 PolarHBondContact OE2-ND1 2.81Å; H367-W369 AromaticContact CD2-CE2 3.91Å; H367-W369 AromaticContact CD2-NE1 3.8Å; H367-Y370 WeakPolarHBondContact CD2-CB 3.37Å | ||
| 368 | A | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.8 | -24.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S244 Y370 W371 A372 F384 L397 | S244-A368 PolarHBondContact OG-N 2.77Å; A368-Y370 VanDerWaalsContact C-N 3.34Å; A368-Y370 PolarHBondContact O-N 2.82Å; A368-W371 PolarHBondContact O-N 3.06Å; A368-A372 WeakPolarHBondContact O-CB 3.46Å; A368-A372 PolarHBondContact O-N 2.87Å; A368-F384 HydrophobicContact CB-CD1 3.85Å; A368-F384 HydrophobicContact CB-CE1 3.8Å; A368-F384 HydrophobicContact CB-CG 4.3Å; A368-F384 HydrophobicContact CB-CZ 4.2Å; A368-L397 HydrophobicContact CB-CB 3.75Å; A368-L397 WeakPolarHBondContact CB-O 3.48Å |
| 369 | W | 93 | Very high | 90.2 | Very high | 41 Ų | 41 | 41.7 Ų | 41.7 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.2 | -41.3 | -179 | 72.9 | -105 | 0 | 0 | 0 | 112.9 | L242 S244 H367 A372 Q373 K399 T401 | L242-W369 HydrophobicContact CB-CZ2 4.07Å; L242-W369 HydrophobicContact CD2-CD2 4.38Å; L242-W369 HydrophobicContact CD2-CH2 4.37Å; L242-W369 HydrophobicContact CD2-CZ2 4.03Å; L242-W369 HydrophobicContact CG-CZ2 4.43Å; L242-W369 PolarHBondContact O-NE1 2.92Å; S244-W369 VanDerWaalsContact OG-CD1 3.27Å; S244-W369 PolarHBondContact OG-N 3.37Å; H367-W369 AromaticContact CD2-CE2 3.91Å; H367-W369 AromaticContact CD2-NE1 3.8Å; W369-A372 PolarHBondContact O-N 3.27Å; W369-Q373 PolarHBondContact O-N 3.45Å; W369-K399 VanDerWaalsContact CB-O 3.29Å; W369-K399 WeakPolarHBondContact CB-O 3.26Å; W369-T401 HydrophobicContact CB-CG2 3.67Å; W369-T401 HydrophobicContact CD2-CG2 4.06Å; W369-T401 HydrophobicContact CG-CG2 3.56Å |
| 370 | Y | 91.2 | Very high | 90.1 | Very high | 129 Ų | 129 | 42 Ų | 42 | 51% | 0.506 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.6 | -39.4 | -179.5 | -179.8 | -102.7 | 0 | 0 | 0 | 111.3 | H367 A368 A372 Q373 S374 | H367-Y370 WeakPolarHBondContact CD2-CB 3.37Å; A368-Y370 VanDerWaalsContact C-N 3.34Å; A368-Y370 PolarHBondContact O-N 2.82Å; Y370-A372 VanDerWaalsContact C-N 3.34Å; Y370-Q373 PolarHBondContact O-N 3.19Å; Y370-S374 PolarHBondContact O-N 2.87Å; Y370-S374 PolarHBondContact O-OG 2.97Å |
| 371 | W | 92.3 | Very high | 89.8 | Confident | 31 Ų | 31 | 42 Ų | 42 | 12% | 0.117 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 172.9 | -177.4 | 92.8 | 0 | 0 | 0 | 111 | A368 Q373 S374 H375 K378 P380 E383 F384 | A368-W371 PolarHBondContact O-N 3.06Å; W371-Q373 VanDerWaalsContact C-N 3.35Å; W371-Q373 PolarHBondContact O-N 3.06Å; W371-S374 PolarHBondContact O-N 3.41Å; W371-H375 AromaticContact CD1-CE1 3.56Å; W371-H375 AromaticContact CD1-ND1 3.54Å; W371-H375 HydrophobicContact CD2-CB 4.35Å; W371-H375 AromaticContact CD2-ND1 3.83Å; W371-H375 AromaticContact CE2-CG 3.79Å; W371-H375 AromaticContact CE2-ND1 3.66Å; W371-H375 HydrophobicContact CE3-CB 4.43Å; W371-H375 AromaticContact CG-ND1 3.76Å; W371-H375 HydrophobicContact CH2-CB 4.19Å; W371-H375 HydrophobicContact CZ2-CB 4.13Å; W371-H375 HydrophobicContact CZ3-CB 4.34Å; W371-H375 AromaticContact NE1-CE1 3.44Å; W371-H375 PolarHBondContact NE1-CE1 3.17Å; W371-H375 AromaticContact NE1-CG 3.94Å; W371-H375 AromaticContact NE1-ND1 3.47Å; W371-H375 PolarHBondContact NE1-ND1 2.87Å; W371-H375 AromaticContact NE1-NE2 3.87Å; W371-H375 WeakPolarHBondContact O-CB 3.48Å; W371-H375 PolarHBondContact O-N 2.62Å; W371-H375 PolarHBondContact O-ND1 3.1Å; W371-K378 HydrophobicContact CH2-CB 3.59Å; W371-K378 HydrophobicContact CH2-CD 3.93Å; W371-K378 HydrophobicContact CH2-CG 4.39Å; W371-K378 HydrophobicContact CZ2-CD 4.09Å; W371-K378 HydrophobicContact CZ3-CB 4.06Å; W371-P380 HydrophobicContact CE3-CB 4.26Å; W371-P380 HydrophobicContact CZ3-CB 4.11Å; W371-E383 HydrophobicContact CH2-CB 3.68Å; W371-E383 HydrophobicContact CZ2-CB 4.25Å; W371-F384 HydrophobicContact CB-CD2 3.79Å; W371-F384 HydrophobicContact CB-CE2 3.75Å; W371-F384 AromaticContact CD1-CD2 3.81Å; W371-F384 HydrophobicContact CD2-CB 4.35Å; W371-F384 AromaticContact CD2-CD2 3.69Å; W371-F384 HydrophobicContact CD2-CD2 3.69Å; W371-F384 HydrophobicContact CD2-CG 4.46Å; W371-F384 HydrophobicContact CE3-CB 4.19Å; W371-F384 HydrophobicContact CE3-CD2 4.21Å; W371-F384 AromaticContact CG-CD2 3.47Å; W371-F384 HydrophobicContact CG-CD2 3.47Å; W371-F384 VanDerWaalsContact CG-CD2 3.47Å; W371-F384 AromaticContact CG-CE2 3.84Å; W371-F384 HydrophobicContact CG-CE2 3.84Å; W371-F384 HydrophobicContact CZ3-CB 4.38Å |
| 372 | A | 91.8 | Very high | 89.5 | Confident | 20 Ų | 20 | 44.5 Ų | 44.5 | 17% | 0.165 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A368 W369 Y370 H375 P380 K399 | A368-A372 WeakPolarHBondContact O-CB 3.46Å; A368-A372 PolarHBondContact O-N 2.87Å; W369-A372 PolarHBondContact O-N 3.27Å; Y370-A372 VanDerWaalsContact C-N 3.34Å; A372-H375 CarbonylContact O-C 3.46Å; A372-P380 HydrophobicContact CB-CB 4.47Å; A372-K399 HydrophobicContact CB-CB 4.02Å |
| 373 | Q | 89.4 | Confident | 89.2 | Confident | 146 Ų | 146 | 48.4 Ų | 48.4 | 68% | 0.682 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.1 | -42.1 | 172.4 | -84.5 | -173.5 | -4.4 | 0 | 0 | 112.4 | W369 Y370 W371 H375 | W369-Q373 PolarHBondContact O-N 3.45Å; Y370-Q373 PolarHBondContact O-N 3.19Å; W371-Q373 VanDerWaalsContact C-N 3.35Å; W371-Q373 PolarHBondContact O-N 3.06Å; Q373-H375 VanDerWaalsContact C-N 3.29Å; Q373-H375 PolarHBondContact O-N 3.41Å |
| 374 | S | 88.6 | Confident | 89.1 | Confident | 70 Ų | 70 | 48.4 Ų | 48.4 | 49% | 0.49 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -78.5 | -14.1 | -177.2 | -54.5 | 0 | 0 | 0 | 0 | 113.2 | Y370 W371 | Y370-S374 PolarHBondContact O-N 2.87Å; Y370-S374 PolarHBondContact O-OG 2.97Å; W371-S374 PolarHBondContact O-N 3.41Å |
| 375 | H | 87.6 | Confident | 89 | Confident | 70 Ų | 70 | 48.9 Ų | 48.9 | 32% | 0.324 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | 55.7 | -177.5 | -61.1 | 83 | 0 | 0 | 0 | 111.2 | W371 A372 Q373 G377 K378 | W371-H375 AromaticContact CD1-CE1 3.56Å; W371-H375 AromaticContact CD1-ND1 3.54Å; W371-H375 HydrophobicContact CD2-CB 4.35Å; W371-H375 AromaticContact CD2-ND1 3.83Å; W371-H375 AromaticContact CE2-CG 3.79Å; W371-H375 AromaticContact CE2-ND1 3.66Å; W371-H375 HydrophobicContact CE3-CB 4.43Å; W371-H375 AromaticContact CG-ND1 3.76Å; W371-H375 HydrophobicContact CH2-CB 4.19Å; W371-H375 HydrophobicContact CZ2-CB 4.13Å; W371-H375 HydrophobicContact CZ3-CB 4.34Å; W371-H375 AromaticContact NE1-CE1 3.44Å; W371-H375 PolarHBondContact NE1-CE1 3.17Å; W371-H375 AromaticContact NE1-CG 3.94Å; W371-H375 AromaticContact NE1-ND1 3.47Å; W371-H375 PolarHBondContact NE1-ND1 2.87Å; W371-H375 AromaticContact NE1-NE2 3.87Å; W371-H375 WeakPolarHBondContact O-CB 3.48Å; W371-H375 PolarHBondContact O-N 2.62Å; W371-H375 PolarHBondContact O-ND1 3.1Å; A372-H375 CarbonylContact O-C 3.46Å; Q373-H375 VanDerWaalsContact C-N 3.29Å; Q373-H375 PolarHBondContact O-N 3.41Å; H375-G377 PolarHBondContact O-N 3.1Å; H375-K378 HydrophobicContact CB-CB 4.31Å; H375-K378 HydrophobicContact CB-CD 3.98Å; H375-K378 HydrophobicContact CB-CG 4.18Å; H375-K378 WeakPolarHBondContact O-CB 3.47Å; H375-K378 PolarHBondContact O-N 2.99Å; H375-K378 VanDerWaalsContact O-N 3.12Å |
| 376 | G | 82.3 | Confident | 89.2 | Confident | 70 Ų | 70 | 48.9 Ų | 48.9 | 72% | 0.722 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | 135.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K378 | G376-K378 VanDerWaalsContact C-N 3.31Å; G376-K378 PolarHBondContact O-N 2.9Å |
| 377 | G | 77.1 | Confident | 89.7 | Confident | 93 Ų | 93 | 48.9 Ų | 48.9 | 96% | 0.959 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -9.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | H375 | H375-G377 PolarHBondContact O-N 3.1Š|
| 378 | K | 86.6 | Confident | 89.8 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -86.5 | 153.7 | 173 | -59.9 | -162.1 | 178.3 | -171 | 0 | 112.3 | W371 H375 G376 P380 E383 | W371-K378 HydrophobicContact CH2-CB 3.59Å; W371-K378 HydrophobicContact CH2-CD 3.93Å; W371-K378 HydrophobicContact CH2-CG 4.39Å; W371-K378 HydrophobicContact CZ2-CD 4.09Å; W371-K378 HydrophobicContact CZ3-CB 4.06Å; H375-K378 HydrophobicContact CB-CB 4.31Å; H375-K378 HydrophobicContact CB-CD 3.98Å; H375-K378 HydrophobicContact CB-CG 4.18Å; H375-K378 WeakPolarHBondContact O-CB 3.47Å; H375-K378 PolarHBondContact O-N 2.99Å; H375-K378 VanDerWaalsContact O-N 3.12Å; G376-K378 VanDerWaalsContact C-N 3.31Å; G376-K378 PolarHBondContact O-N 2.9Å; K378-P380 WeakPolarHBondContact O-CD 3.3Å; K378-E383 WeakPolarHBondContact CA-OE1 3.35Å; K378-E383 WeakPolarHBondContact CB-OE1 3.31Å; K378-E383 WeakPolarHBondContact CD-OE2 3.45Å |
| 379 | N | 90.3 | Very high | 89.8 | Confident | 44 Ų | 44 | 51.3 Ų | 51.3 | 24% | 0.235 | 29% | 0.294 | C | S | . | . | trans | -91.3 | 107.8 | 177.5 | -176.2 | 0.7 | 0 | 0 | 0 | 111.2 | M381 T382 E383 N459 | N379-M381 PolarHBondContact O-N 3.27Å; N379-M381 VanDerWaalsContact O-N 3.15Å; N379-M381 WeakPolarHBondContact OD1-CB 3.2Å; N379-M381 PolarHBondContact OD1-N 2.96Å; N379-T382 PolarHBondContact ND2-OG1 3.49Å; N379-T382 PolarHBondContact O-N 2.83Å; N379-E383 PolarHBondContact N-OE1 3.31Å; N379-E383 VanDerWaalsContact O-CB 3.3Å; N379-E383 WeakPolarHBondContact O-CB 3.35Å; N379-E383 PolarHBondContact O-N 3.48Å; N379-N459 PolarHBondContact ND2-O 2.94Å | ||
| 380 | P | 91.6 | Very high | 89.9 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -22.7 | 179.8 | 26.9 | -34.7 | 0 | 0 | 0 | 112.8 | W371 A372 K378 T382 F384 N387 | W371-P380 HydrophobicContact CE3-CB 4.26Å; W371-P380 HydrophobicContact CZ3-CB 4.11Å; A372-P380 HydrophobicContact CB-CB 4.47Å; K378-P380 WeakPolarHBondContact O-CD 3.3Å; P380-T382 VanDerWaalsContact C-N 3.31Å; P380-T382 PolarHBondContact O-N 3.3Å; P380-F384 WeakPolarHBondContact O-CB 3.5Å; P380-N387 PolarHBondContact O-ND2 2.65Å |
| 381 | M | 91.3 | Very high | 90 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.02 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.8 | -30.8 | 178.6 | -63.9 | -60.2 | -69 | 0 | 0 | 112.5 | N379 N387 N391 S396 L398 T456 M460 | N379-M381 PolarHBondContact O-N 3.27Å; N379-M381 VanDerWaalsContact O-N 3.15Å; N379-M381 WeakPolarHBondContact OD1-CB 3.2Å; N379-M381 PolarHBondContact OD1-N 2.96Å; M381-N387 WeakPolarHBondContact O-CB 3.45Å; M381-N391 PolarHBondContact O-ND2 2.74Å; M381-S396 VanDerWaalsContact CE-OG 3.31Å; M381-S396 WeakPolarHBondContact CE-OG 3.4Å; M381-L398 HydrophobicContact SD-CD2 3.75Å; M381-T456 HydrophobicContact CE-CG2 4.29Å; M381-T456 HydrophobicContact CG-CG2 4.04Å; M381-T456 HydrophobicContact SD-CG2 3.64Å; M381-M460 HydrophobicContact CB-CG 3.87Å; M381-M460 HydrophobicContact CE-CG 3.79Å; M381-M460 HydrophobicContact CE-SD 3.79Å; M381-M460 HydrophobicContact CG-CG 4.43Å |
| 382 | T | 91 | Very high | 89.9 | Confident | 53 Ų | 53 | 44.4 Ų | 44.4 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -119.5 | -24.7 | -172.8 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | N379 P380 K388 M460 | N379-T382 PolarHBondContact ND2-OG1 3.49Å; N379-T382 PolarHBondContact O-N 2.83Å; P380-T382 VanDerWaalsContact C-N 3.31Å; P380-T382 PolarHBondContact O-N 3.3Å; T382-K388 WeakPolarHBondContact O-CE 3.47Å; T382-M460 WeakPolarHBondContact CG2-O 3.32Å |
| 383 | E | 90.6 | Very high | 90 | Very high | 81 Ų | 81 | 43.8 Ų | 43.8 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -103.6 | -18.6 | -173.4 | -63.8 | -178.2 | -102.2 | 0 | 0 | 113.5 | W371 K378 N379 | W371-E383 HydrophobicContact CH2-CB 3.68Å; W371-E383 HydrophobicContact CZ2-CB 4.25Å; K378-E383 WeakPolarHBondContact CA-OE1 3.35Å; K378-E383 WeakPolarHBondContact CB-OE1 3.31Å; K378-E383 WeakPolarHBondContact CD-OE2 3.45Å; N379-E383 PolarHBondContact N-OE1 3.31Å; N379-E383 VanDerWaalsContact O-CB 3.3Å; N379-E383 WeakPolarHBondContact O-CB 3.35Å; N379-E383 PolarHBondContact O-N 3.48Å |
| 384 | F | 91.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -73.6 | 127.2 | 172.3 | -176.7 | -122 | 0 | 0 | 0 | 110.3 | S343 N344 A368 W371 P380 G386 N387 K388 L397 | S343-F384 WeakPolarHBondContact O-CZ 3.41Å; N344-F384 HydrophobicContact CB-CE2 4.35Å; A368-F384 HydrophobicContact CB-CD1 3.85Å; A368-F384 HydrophobicContact CB-CE1 3.8Å; A368-F384 HydrophobicContact CB-CG 4.3Å; A368-F384 HydrophobicContact CB-CZ 4.2Å; W371-F384 HydrophobicContact CB-CD2 3.79Å; W371-F384 HydrophobicContact CB-CE2 3.75Å; W371-F384 AromaticContact CD1-CD2 3.81Å; W371-F384 HydrophobicContact CD2-CB 4.35Å; W371-F384 AromaticContact CD2-CD2 3.69Å; W371-F384 HydrophobicContact CD2-CD2 3.69Å; W371-F384 HydrophobicContact CD2-CG 4.46Å; W371-F384 HydrophobicContact CE3-CB 4.19Å; W371-F384 HydrophobicContact CE3-CD2 4.21Å; W371-F384 AromaticContact CG-CD2 3.47Å; W371-F384 HydrophobicContact CG-CD2 3.47Å; W371-F384 VanDerWaalsContact CG-CD2 3.47Å; W371-F384 AromaticContact CG-CE2 3.84Å; W371-F384 HydrophobicContact CG-CE2 3.84Å; W371-F384 HydrophobicContact CZ3-CB 4.38Å; P380-F384 WeakPolarHBondContact O-CB 3.5Å; F384-G386 VanDerWaalsContact C-N 3.3Å; F384-G386 PolarHBondContact O-N 3.13Å; F384-N387 HydrophobicContact CD1-CB 4.42Å; F384-N387 PolarHBondContact O-N 2.91Å; F384-N387 VanDerWaalsContact O-N 3.07Å; F384-K388 PolarHBondContact O-N 3.17Å; F384-L397 HydrophobicContact CE1-CB 4.32Å; F384-L397 HydrophobicContact CE1-CD1 3.94Å |
| 385 | G | 89.6 | Confident | 90.6 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -34.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N344 N387 K388 | N344-G385 VanDerWaalsContact OD1-CA 3.24Å; N344-G385 WeakPolarHBondContact OD1-CA 3.22Å; N344-G385 PolarHBondContact OD1-N 2.89Å; G385-N387 PolarHBondContact O-N 3.38Å; G385-K388 WeakPolarHBondContact O-CB 3.35Å; G385-K388 PolarHBondContact O-N 3.17Å |
| 386 | G | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S343 F384 K388 I389 L390 | S343-G386 WeakPolarHBondContact O-CA 3.35Å; S343-G386 PolarHBondContact O-N 3.2Å; F384-G386 VanDerWaalsContact C-N 3.3Å; F384-G386 PolarHBondContact O-N 3.13Å; G386-K388 VanDerWaalsContact C-N 3.3Å; G386-K388 PolarHBondContact O-N 3.38Å; G386-I389 PolarHBondContact O-N 3.2Å; G386-I389 VanDerWaalsContact O-N 3.09Å; G386-L390 WeakPolarHBondContact O-CB 3.34Å; G386-L390 VanDerWaalsContact O-CG 3.26Å; G386-L390 WeakPolarHBondContact O-CG 3.37Å; G386-L390 PolarHBondContact O-N 2.85Å |
| 387 | N | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.6 | -24.4 | -180 | -70.6 | -14 | 0 | 0 | 0 | 112.7 | P380 M381 F384 G385 I389 L390 N391 S396 L397 | P380-N387 PolarHBondContact O-ND2 2.65Å; M381-N387 WeakPolarHBondContact O-CB 3.45Å; F384-N387 HydrophobicContact CD1-CB 4.42Å; F384-N387 PolarHBondContact O-N 2.91Å; F384-N387 VanDerWaalsContact O-N 3.07Å; G385-N387 PolarHBondContact O-N 3.38Å; N387-I389 PolarHBondContact O-N 3.29Å; N387-L390 PolarHBondContact O-N 2.83Å; N387-N391 VanDerWaalsContact O-CB 3.26Å; N387-N391 WeakPolarHBondContact O-CB 3.42Å; N387-N391 PolarHBondContact O-N 3.16Å; N387-N391 PolarHBondContact O-ND2 3.12Å; N387-N391 VanDerWaalsContact O-ND2 3.12Å; N387-N391 PolarHBondContact O-OD1 3.25Å; N387-S396 WeakPolarHBondContact OD1-CA 3.5Å; N387-L397 PolarHBondContact ND2-O 3.46Å; N387-L397 PolarHBondContact OD1-N 3.39Å |
| 388 | K | 91.4 | Very high | 92.4 | Very high | 91 Ų | 91 | 23 Ų | 23 | 40% | 0.396 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -59.1 | -31.8 | 169.6 | -63.6 | -176.4 | -179.8 | -177.4 | 0 | 112.5 | W349 Q353 T382 F384 G385 G386 | W349-K388 HydrophobicContact CG-CB 4.31Å; Q353-K388 PolarHBondContact NE2-O 3.31Å; T382-K388 WeakPolarHBondContact O-CE 3.47Å; F384-K388 PolarHBondContact O-N 3.17Å; G385-K388 WeakPolarHBondContact O-CB 3.35Å; G385-K388 PolarHBondContact O-N 3.17Å; G386-K388 VanDerWaalsContact C-N 3.3Å; G386-K388 PolarHBondContact O-N 3.38Å |
| 389 | I | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -84.7 | -52.5 | 175.8 | -60.2 | 166.1 | 0 | 0 | 0 | 109.8 | P345 W349 I352 Q353 L362 I364 G386 N387 N391 M393 | P345-I389 HydrophobicContact CG-CD1 3.58Å; W349-I389 HydrophobicContact CB-CD1 4.25Å; W349-I389 HydrophobicContact CB-CG1 3.61Å; I352-I389 HydrophobicContact CB-CD1 4.38Å; I352-I389 HydrophobicContact CD1-CD1 3.8Å; I352-I389 HydrophobicContact CG2-CD1 4.27Å; I352-I389 HydrophobicContact CG2-CG2 4.1Å; Q353-I389 HydrophobicContact CG-CG2 4.25Å; L362-I389 HydrophobicContact CD2-CG2 3.84Å; I364-I389 HydrophobicContact CD1-CB 4.48Å; I364-I389 HydrophobicContact CD1-CD1 4.37Å; I364-I389 HydrophobicContact CD1-CG2 4.34Å; G386-I389 PolarHBondContact O-N 3.2Å; G386-I389 VanDerWaalsContact O-N 3.09Å; N387-I389 PolarHBondContact O-N 3.29Å; I389-N391 PolarHBondContact O-N 3.15Å; I389-M393 HydrophobicContact CG2-CE 3.55Å; I389-M393 HydrophobicContact CG2-SD 3.9Å |
| 390 | L | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -72.2 | -30.5 | -166 | -65.6 | 174.5 | 0 | 0 | 0 | 114.4 | V276 V278 I364 G386 N387 Q392 M393 G394 L395 L397 | V276-L390 HydrophobicContact CG1-CD2 4.04Å; V278-L390 HydrophobicContact CG1-CD1 3.96Å; V278-L390 HydrophobicContact CG2-CD1 3.72Å; V278-L390 HydrophobicContact CG2-CD2 3.3Å; V278-L390 HydrophobicContact CG2-CG 4.12Å; I364-L390 HydrophobicContact CD1-CD1 4.31Å; I364-L390 HydrophobicContact CD1-CD2 3.78Å; I364-L390 HydrophobicContact CD1-CG 3.95Å; I364-L390 HydrophobicContact CG1-CD2 4.31Å; G386-L390 WeakPolarHBondContact O-CB 3.34Å; G386-L390 VanDerWaalsContact O-CG 3.26Å; G386-L390 WeakPolarHBondContact O-CG 3.37Å; G386-L390 PolarHBondContact O-N 2.85Å; N387-L390 PolarHBondContact O-N 2.83Å; L390-Q392 VanDerWaalsContact C-N 3.27Å; L390-Q392 PolarHBondContact O-N 3.33Å; L390-M393 HydrophobicContact CD2-SD 4.22Å; L390-M393 CarbonylContact O-C 3.37Å; L390-M393 WeakPolarHBondContact O-CA 3.49Å; L390-M393 WeakPolarHBondContact O-CB 3.23Å; L390-M393 PolarHBondContact O-N 2.8Å; L390-G394 PolarHBondContact O-N 2.71Å; L390-G394 VanDerWaalsContact O-N 3.13Å; L390-L395 CarbonylContact C-O 3.58Å; L390-L395 HydrophobicContact CB-CB 4.19Å; L390-L395 WeakPolarHBondContact CB-O 3.49Å; L390-L395 PolarHBondContact O-N 3.44Å; L390-L397 HydrophobicContact CD1-CD1 4.22Å; L390-L397 HydrophobicContact CD1-CG 4.31Å |
| 391 | N | 93.5 | Very high | 93 | Very high | 22 Ų | 22 | 26.9 Ų | 26.9 | 12% | 0.118 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -58.6 | -39.7 | -176.7 | -72.8 | -11.9 | 0 | 0 | 0 | 112.2 | H249 M381 N387 I389 M393 G394 L395 S396 M460 | H249-N391 PolarHBondContact CE1-O 3.22Å; M381-N391 PolarHBondContact O-ND2 2.74Å; N387-N391 VanDerWaalsContact O-CB 3.26Å; N387-N391 WeakPolarHBondContact O-CB 3.42Å; N387-N391 PolarHBondContact O-N 3.16Å; N387-N391 PolarHBondContact O-ND2 3.12Å; N387-N391 VanDerWaalsContact O-ND2 3.12Å; N387-N391 PolarHBondContact O-OD1 3.25Å; I389-N391 PolarHBondContact O-N 3.15Å; N391-M393 PolarHBondContact O-N 3.32Å; N391-G394 PolarHBondContact O-N 3.19Å; N391-G394 VanDerWaalsContact O-N 3.11Å; N391-L395 PolarHBondContact N-O 2.99Å; N391-S396 PolarHBondContact OD1-OG 3.11Å; N391-M460 HydrophobicContact CB-CE 3.7Å |
| 392 | Q | 90.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 26.8 Ų | 26.8 | 16% | 0.159 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -66.9 | -26.9 | 176.7 | -65.6 | -159 | -27.3 | 0 | 0 | 112.8 | D40 Y271 L390 G394 | D40-Q392 VanDerWaalsContact OD2-CG 3.29Å; D40-Q392 WeakPolarHBondContact OD2-CG 3.4Å; D40-Q392 PolarHBondContact OD2-NE2 3.1Å; Y271-Q392 HydrophobicContact CE2-CB 4.14Å; Y271-Q392 WeakPolarHBondContact CE2-O 3.34Å; Y271-Q392 PolarHBondContact OH-OE1 3.36Å; L390-Q392 VanDerWaalsContact C-N 3.27Å; L390-Q392 PolarHBondContact O-N 3.33Å; Q392-G394 VanDerWaalsContact C-N 3.27Å |
| 393 | M | 93.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.03 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -87 | 0.2 | 178.1 | -55.5 | 166.1 | 175.7 | 0 | 0 | 111.7 | A269 Y271 V276 Q353 V356 L362 I389 L390 N391 | A269-M393 VanDerWaalsContact CB-O 3.29Å; A269-M393 WeakPolarHBondContact CB-O 3.4Å; Y271-M393 HydrophobicContact CD1-CE 4.1Å; Y271-M393 HydrophobicContact CD1-CG 4.07Å; Y271-M393 HydrophobicContact CD2-CG 4.07Å; Y271-M393 HydrophobicContact CE1-CE 4.49Å; Y271-M393 HydrophobicContact CG-CB 4.45Å; Y271-M393 HydrophobicContact CG-CG 3.75Å; V276-M393 HydrophobicContact CB-SD 4.34Å; V276-M393 HydrophobicContact CG1-SD 3.95Å; V276-M393 HydrophobicContact CG2-CB 4.41Å; V276-M393 HydrophobicContact CG2-CE 4.34Å; V276-M393 HydrophobicContact CG2-CG 4.18Å; V276-M393 HydrophobicContact CG2-SD 3.54Å; V276-M393 VanDerWaalsContact CG2-SD 3.54Å; Q353-M393 HydrophobicContact CG-CE 4.18Å; V356-M393 HydrophobicContact CB-CE 3.94Å; V356-M393 HydrophobicContact CG1-CE 4.18Å; V356-M393 HydrophobicContact CG2-CE 3.84Å; L362-M393 HydrophobicContact CD2-CE 3.83Å; L362-M393 HydrophobicContact CD2-SD 3.92Å; I389-M393 HydrophobicContact CG2-CE 3.55Å; I389-M393 HydrophobicContact CG2-SD 3.9Å; L390-M393 HydrophobicContact CD2-SD 4.22Å; L390-M393 CarbonylContact O-C 3.37Å; L390-M393 WeakPolarHBondContact O-CA 3.49Å; L390-M393 WeakPolarHBondContact O-CB 3.23Å; L390-M393 PolarHBondContact O-N 2.8Å; N391-M393 PolarHBondContact O-N 3.32Å |
| 394 | G | 94.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 17.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | H249 G250 A253 L390 N391 Q392 | H249-G394 PolarHBondContact CD2-O 2.87Å; H249-G394 VanDerWaalsContact CE1-CA 3.47Å; H249-G394 WeakPolarHBondContact CE1-CA 3.38Å; H249-G394 PolarHBondContact N-O 3.03Å; G250-G394 VanDerWaalsContact CA-CA 3.46Å; G250-G394 PolarHBondContact N-O 3.22Å; A253-G394 WeakPolarHBondContact CB-O 3.16Å; L390-G394 PolarHBondContact O-N 2.71Å; L390-G394 VanDerWaalsContact O-N 3.13Å; N391-G394 PolarHBondContact O-N 3.19Å; N391-G394 VanDerWaalsContact O-N 3.11Å; Q392-G394 VanDerWaalsContact C-N 3.27Å |
| 395 | L | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.8 | -177.8 | -64.4 | 173.2 | 0 | 0 | 0 | 110.3 | V246 M247 V248 H249 A253 A267 A269 V276 V278 L390 N391 | V246-L395 HydrophobicContact CG1-CD2 4.24Å; M247-L395 WeakPolarHBondContact O-CA 3.44Å; V248-L395 HydrophobicContact CB-CD2 4.48Å; V248-L395 HydrophobicContact CG1-CD2 4.35Å; V248-L395 HydrophobicContact CG2-CD2 4.16Å; H249-L395 PolarHBondContact NE2-N 3.48Å; A253-L395 HydrophobicContact CB-CD2 3.83Å; A253-L395 HydrophobicContact CB-CG 4.21Å; A267-L395 HydrophobicContact CB-CD2 3.68Å; A269-L395 HydrophobicContact CB-CD1 3.77Å; A269-L395 HydrophobicContact CB-CG 4.1Å; V276-L395 HydrophobicContact CG1-CD1 4.39Å; V278-L395 HydrophobicContact CB-CD1 4.39Å; V278-L395 HydrophobicContact CG2-CB 4.44Å; V278-L395 HydrophobicContact CG2-CD1 3.68Å; L390-L395 CarbonylContact C-O 3.58Å; L390-L395 HydrophobicContact CB-CB 4.19Å; L390-L395 WeakPolarHBondContact CB-O 3.49Å; L390-L395 PolarHBondContact O-N 3.44Å; N391-L395 PolarHBondContact N-O 2.99Å |
| 396 | S | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 140.8 | 170.7 | -47.8 | 0 | 0 | 0 | 0 | 111.8 | V246 M247 H249 M381 N387 N391 | V246-S396 CarbonylContact C-O 2.98Å; V246-S396 WeakPolarHBondContact CA-O 3.46Å; M247-S396 PolarHBondContact N-O 3.13Å; M247-S396 PolarHBondContact O-N 3.07Å; H249-S396 PolarHBondContact CD2-OG 3.37Å; H249-S396 PolarHBondContact NE2-OG 2.93Å; M381-S396 VanDerWaalsContact CE-OG 3.31Å; M381-S396 WeakPolarHBondContact CE-OG 3.4Å; N387-S396 WeakPolarHBondContact OD1-CA 3.5Å; N391-S396 PolarHBondContact OD1-OG 3.11Å |
| 397 | L | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 124.8 | 168.9 | -72.8 | 165.7 | 0 | 0 | 0 | 110.1 | V246 V278 G366 A368 F384 N387 L390 | V246-L397 HydrophobicContact CG2-CD2 3.92Å; V278-L397 HydrophobicContact CG1-CD1 4.26Å; V278-L397 HydrophobicContact CG1-CD2 3.88Å; V278-L397 HydrophobicContact CG1-CG 4.02Å; G366-L397 WeakPolarHBondContact O-CD1 3.36Å; A368-L397 HydrophobicContact CB-CB 3.75Å; A368-L397 WeakPolarHBondContact CB-O 3.48Å; F384-L397 HydrophobicContact CE1-CB 4.32Å; F384-L397 HydrophobicContact CE1-CD1 3.94Å; N387-L397 PolarHBondContact ND2-O 3.46Å; N387-L397 PolarHBondContact OD1-N 3.39Å; L390-L397 HydrophobicContact CD1-CD1 4.22Å; L390-L397 HydrophobicContact CD1-CG 4.31Å |
| 398 | L | 95 | Very high | 93.8 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 166 | -176.6 | -55.7 | -167.6 | 0 | 0 | 0 | 112.3 | S244 E245 M247 M381 S400 T456 | S244-L398 VanDerWaalsContact CB-O 3.27Å; S244-L398 WeakPolarHBondContact CB-O 3.35Å; S244-L398 PolarHBondContact OG-O 2.82Å; E245-L398 HydrophobicContact CB-CB 4.28Å; E245-L398 HydrophobicContact CB-CD1 4.38Å; E245-L398 HydrophobicContact CG-CD1 4.29Å; E245-L398 PolarHBondContact O-N 2.91Å; M247-L398 HydrophobicContact CB-CD1 4.09Å; M247-L398 HydrophobicContact CB-CD2 3.84Å; M247-L398 HydrophobicContact CB-CG 4.02Å; M247-L398 HydrophobicContact SD-CD2 4.49Å; M381-L398 HydrophobicContact SD-CD2 3.75Å; L398-S400 VanDerWaalsContact C-N 3.29Å; L398-S400 WeakPolarHBondContact CB-OG 3.24Å; L398-T456 HydrophobicContact CD2-CG2 3.64Å |
| 399 | K | 93.2 | Very high | 93.9 | Very high | 149 Ų | 149 | 36 Ų | 36 | 65% | 0.648 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -14.1 | 169.6 | 68.5 | 178.6 | -179.2 | -179.1 | 0 | 113.3 | W369 A372 | W369-K399 VanDerWaalsContact CB-O 3.29Å; W369-K399 WeakPolarHBondContact CB-O 3.26Å; A372-K399 HydrophobicContact CB-CB 4.02Å |
| 400 | S | 92.3 | Very high | 93.8 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 147.5 | 174.6 | 48.9 | 0 | 0 | 0 | 0 | 109.8 | S244 E245 L398 | S244-S400 WeakPolarHBondContact CA-O 3.31Å; E245-S400 VanDerWaalsContact CB-OG 3.25Å; E245-S400 WeakPolarHBondContact CB-OG 3.45Å; E245-S400 PolarHBondContact N-O 3.31Å; E245-S400 PolarHBondContact OE2-OG 2.95Å; L398-S400 VanDerWaalsContact C-N 3.29Å; L398-S400 WeakPolarHBondContact CB-OG 3.24Å |
| 401 | T | 94.1 | Very high | 93.6 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 36% | 0.362 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 142.2 | -170 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | L242 A243 W369 | L242-T401 HydrophobicContact CD1-CG2 4.48Å; L242-T401 HydrophobicContact CD2-CG2 3.75Å; L242-T401 HydrophobicContact CG-CG2 3.92Å; A243-T401 CarbonylContact O-C 3.52Å; A243-T401 WeakPolarHBondContact O-CA 3.18Å; W369-T401 HydrophobicContact CB-CG2 3.67Å; W369-T401 HydrophobicContact CD2-CG2 4.06Å; W369-T401 HydrophobicContact CG-CG2 3.56Å |
| 402 | I | 95.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.7 | 174.7 | -55.7 | 169.3 | 0 | 0 | 0 | 107.5 | I237 A243 E245 A259 Q263 A264 F265 | I237-I402 HydrophobicContact CD1-CB 4.19Å; I237-I402 HydrophobicContact CD1-CG2 3.56Å; A243-I402 HydrophobicContact CB-CB 4.43Å; A243-I402 PolarHBondContact N-O 2.86Å; A243-I402 PolarHBondContact O-N 3.45Å; E245-I402 HydrophobicContact CB-CD1 4.06Å; E245-I402 HydrophobicContact CB-CG1 4.34Å; E245-I402 HydrophobicContact CG-CD1 4.28Å; A259-I402 HydrophobicContact CB-CG2 3.47Å; A259-I402 VanDerWaalsContact CB-CG2 3.47Å; Q263-I402 HydrophobicContact CB-CD1 3.74Å; Q263-I402 HydrophobicContact CB-CG1 4.05Å; A264-I402 WeakPolarHBondContact O-CD1 3.49Å; F265-I402 HydrophobicContact CB-CD1 3.79Å |
| 403 | P | 94.1 | Very high | 93.4 | Very high | 86 Ų | 86 | 41.9 Ų | 41.9 | 56% | 0.558 | 24% | 0.242 | S | C | * | . | trans | -69.6 | 165.7 | -179.1 | 30.9 | -35.5 | 0 | 0 | 0 | 112 | ||||
| 404 | A | 94 | Very high | 92.9 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 31% | 0.314 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -55.5 | 145.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I237 P238 | I237-A404 WeakPolarHBondContact O-CA 3.46Å; I237-A404 WeakPolarHBondContact O-CB 3.33Å; P238-A404 VanDerWaalsContact O-CB 3.29Å; P238-A404 WeakPolarHBondContact O-CB 3.44Å |
| 405 | G | 93.7 | Very high | 92.2 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.6 | 163.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A236 I237 | A236-G405 CarbonylContact C-O 3.49Å; A236-G405 WeakPolarHBondContact CA-O 3.26Å; I237-G405 PolarHBondContact N-O 3.4Å; I237-G405 PolarHBondContact O-N 3.47Å; I237-G405 VanDerWaalsContact O-N 3.08Å |
| 406 | S | 93.7 | Very high | 91.4 | Very high | 67 Ų | 67 | 45.3 Ų | 45.3 | 47% | 0.469 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.1 | 167.6 | -160.1 | 0 | 0 | 0 | 0 | 109.2 | E234 | E234-S406 WeakPolarHBondContact OE2-CB 3.3Å; E234-S406 PolarHBondContact OE2-OG 3.12Å |
| 407 | H | 94.1 | Very high | 90.5 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 11% | 0.111 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135.9 | -175.4 | -57.7 | -68.7 | 0 | 0 | 0 | 109.9 | E234 L235 F265 A409 | E234-H407 CarbonylContact C-O 3.19Å; E234-H407 VanDerWaalsContact CA-O 3.23Å; E234-H407 WeakPolarHBondContact CA-O 3.26Å; L235-H407 PolarHBondContact N-O 3.16Å; L235-H407 PolarHBondContact O-N 3.02Å; F265-H407 HydrophobicContact CE1-CB 4.08Å; F265-H407 AromaticContact CE1-CD2 3.47Å; F265-H407 VanDerWaalsContact CE1-CD2 3.47Å; F265-H407 WeakPolarHBondContact CE1-CD2 3.35Å; F265-H407 AromaticContact CE1-CG 3.94Å; F265-H407 HydrophobicContact CZ-CB 4.37Å; F265-H407 AromaticContact CZ-CD2 3.86Å; H407-A409 PolarHBondContact O-N 3.18Å |
| 408 | K | 93.4 | Very high | 89.5 | Confident | 176 Ų | 176 | 56.1 Ų | 56.1 | 77% | 0.765 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 138.2 | 178.5 | -168 | -175.5 | 173.7 | -172.9 | 0 | 110.1 | ||
| 409 | A | 92.4 | Very high | 88.9 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 144.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L229 V232 S233 H407 | L229-A409 HydrophobicContact CD1-CB 4.38Å; L229-A409 HydrophobicContact CD2-CB 4.31Å; V232-A409 HydrophobicContact CG1-CB 4.49Å; V232-A409 VanDerWaalsContact O-CB 3.26Å; V232-A409 WeakPolarHBondContact O-CB 3.37Å; S233-A409 WeakPolarHBondContact O-CB 3.36Å; S233-A409 PolarHBondContact O-N 3.15Å; H407-A409 PolarHBondContact O-N 3.18Å |
| 410 | L | 91.8 | Very high | 88.8 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 13% | 0.131 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 150.4 | 179.4 | -60 | -176.8 | 0 | 0 | 0 | 111 | L229 P255 V258 P412 A415 T419 | L229-L410 HydrophobicContact CD1-CB 4.28Å; L229-L410 WeakPolarHBondContact CD1-O 3.44Å; P255-L410 HydrophobicContact CB-CD1 4.49Å; P255-L410 HydrophobicContact CG-CD1 4.49Å; V258-L410 HydrophobicContact CB-CD2 4.26Å; V258-L410 HydrophobicContact CG2-CD1 4.04Å; V258-L410 HydrophobicContact CG2-CD2 4.21Å; L410-P412 VanDerWaalsContact O-CD 3.31Å; L410-P412 WeakPolarHBondContact O-CD 3.13Å; L410-A415 HydrophobicContact CB-CB 4.25Å; L410-A415 HydrophobicContact CD1-CB 4.07Å; L410-T419 HydrophobicContact CD1-CG2 4.5Å; L410-T419 HydrophobicContact CD2-CG2 3.77Å |
| 411 | D | 90.5 | Very high | 88.8 | Confident | 94 Ų | 94 | 48.7 Ų | 48.7 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | trans | -74.6 | 115.4 | 163.2 | -177.4 | -26.6 | 0 | 0 | 0 | 108.3 | S413 Q414 A415 | D411-S413 PolarHBondContact O-N 3.37Å; D411-S413 VanDerWaalsContact O-N 3.16Å; D411-S413 WeakPolarHBondContact OD1-CB 3.31Å; D411-S413 PolarHBondContact OD1-N 3.29Å; D411-S413 PolarHBondContact OD1-OG 2.87Å; D411-Q414 HydrophobicContact CB-CB 4.47Å; D411-Q414 PolarHBondContact O-N 3.39Å; D411-Q414 VanDerWaalsContact O-N 3.15Å; D411-A415 WeakPolarHBondContact O-CB 3.48Å; D411-A415 PolarHBondContact O-N 3.29Å | ||
| 412 | P | 90.9 | Very high | 88.8 | Confident | 20 Ų | 20 | 46 Ų | 46 | 13% | 0.13 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -36 | -178.8 | -28.9 | 37.9 | 0 | 0 | 0 | 113.9 | E222 L225 Q226 L410 Q414 | E222-P412 HydrophobicContact CG-CB 4.19Å; L225-P412 HydrophobicContact CB-CB 3.79Å; L225-P412 HydrophobicContact CB-CG 4.11Å; Q226-P412 HydrophobicContact CB-CB 4.44Å; Q226-P412 HydrophobicContact CB-CG 4.43Å; L410-P412 VanDerWaalsContact O-CD 3.31Å; L410-P412 WeakPolarHBondContact O-CD 3.13Å; P412-Q414 VanDerWaalsContact C-N 3.34Å; P412-Q414 PolarHBondContact O-N 2.95Å |
| 413 | S | 87.4 | Confident | 88.6 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -20.4 | -175 | 73 | 0 | 0 | 0 | 0 | 113.8 | D411 | D411-S413 PolarHBondContact O-N 3.37Å; D411-S413 VanDerWaalsContact O-N 3.16Å; D411-S413 WeakPolarHBondContact OD1-CB 3.31Å; D411-S413 PolarHBondContact OD1-N 3.29Å; D411-S413 PolarHBondContact OD1-OG 2.87Å |
| 414 | Q | 83.1 | Confident | 88.5 | Confident | 61 Ų | 61 | 44.1 Ų | 44.1 | 29% | 0.285 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -4.6 | -177 | -56.6 | -48.9 | -46.9 | 0 | 0 | 114.2 | D411 P412 I416 K417 D418 | D411-Q414 HydrophobicContact CB-CB 4.47Å; D411-Q414 PolarHBondContact O-N 3.39Å; D411-Q414 VanDerWaalsContact O-N 3.15Å; P412-Q414 VanDerWaalsContact C-N 3.34Å; P412-Q414 PolarHBondContact O-N 2.95Å; Q414-I416 VanDerWaalsContact C-N 3.26Å; Q414-I416 PolarHBondContact O-N 3.35Å; Q414-K417 PolarHBondContact O-N 3.02Å; Q414-D418 HydrophobicContact CB-CB 4.13Å; Q414-D418 VanDerWaalsContact CB-OD2 3.25Å; Q414-D418 WeakPolarHBondContact CB-OD2 3.02Å; Q414-D418 PolarHBondContact O-N 2.88Å |
| 415 | A | 80.8 | Confident | 88.5 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -50.2 | -42.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L225 L410 D411 T419 | L225-A415 HydrophobicContact CD1-CB 3.31Å; L410-A415 HydrophobicContact CB-CB 4.25Å; L410-A415 HydrophobicContact CD1-CB 4.07Å; D411-A415 WeakPolarHBondContact O-CB 3.48Å; D411-A415 PolarHBondContact O-N 3.29Å; A415-T419 VanDerWaalsContact O-CB 3.25Å; A415-T419 WeakPolarHBondContact O-CB 3.47Å; A415-T419 WeakPolarHBondContact O-CG2 3.23Å; A415-T419 PolarHBondContact O-N 3.35Å; A415-T419 PolarHBondContact O-OG1 3.49Å |
| 416 | I | 78.9 | Confident | 88.6 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 9% | 0.092 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -77.7 | -26.8 | -180 | -59 | -60.9 | 0 | 0 | 0 | 113.3 | V217 F221 F254 Q414 H424 | V217-I416 HydrophobicContact CG2-CG2 4.02Å; F221-I416 HydrophobicContact CD2-CD1 4.07Å; F221-I416 HydrophobicContact CD2-CG1 4.27Å; F254-I416 HydrophobicContact CB-CD1 4.19Å; Q414-I416 VanDerWaalsContact C-N 3.26Å; Q414-I416 PolarHBondContact O-N 3.35Å; I416-H424 HydrophobicContact CG2-CB 4.37Å |
| 417 | K | 75.7 | Confident | 88.6 | Confident | 133 Ų | 133 | 39 Ų | 39 | 58% | 0.578 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -88.4 | -44.9 | -175.3 | -65.8 | 175.2 | -174.8 | 162.2 | 0 | 112.2 | Q414 | Q414-K417 PolarHBondContact O-N 3.02Å |
| 418 | D | 75.3 | Confident | 88.6 | Confident | 95 Ų | 95 | 39.6 Ų | 39.6 | 51% | 0.508 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -92.7 | -9.4 | -173.1 | -67.5 | -1.2 | 0 | 0 | 0 | 111.9 | Q414 | Q414-D418 HydrophobicContact CB-CB 4.13Å; Q414-D418 VanDerWaalsContact CB-OD2 3.25Å; Q414-D418 WeakPolarHBondContact CB-OD2 3.02Å; Q414-D418 PolarHBondContact O-N 2.88Å |
| 419 | T | 83.2 | Confident | 88.7 | Confident | 22 Ų | 22 | 31.3 Ų | 31.3 | 14% | 0.135 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -118.5 | 164.3 | 175.4 | 87.3 | 0 | 0 | 0 | 0 | 112.5 | L410 A415 H421 | L410-T419 HydrophobicContact CD1-CG2 4.5Å; L410-T419 HydrophobicContact CD2-CG2 3.77Å; A415-T419 VanDerWaalsContact O-CB 3.25Å; A415-T419 WeakPolarHBondContact O-CB 3.47Å; A415-T419 WeakPolarHBondContact O-CG2 3.23Å; A415-T419 PolarHBondContact O-N 3.35Å; A415-T419 PolarHBondContact O-OG1 3.49Å; T419-H421 PolarHBondContact O-N 2.78Å |
| 420 | Y | 90.3 | Very high | 88.8 | Confident | 16 Ų | 16 | 30.5 Ų | 30.5 | 6% | 0.063 | 15% | 0.153 | C | C | . | . | trans | -71 | 119 | -179.3 | -177.7 | -92.1 | 0 | 0 | 0 | 111.8 | G262 F422 L425 F446 K449 L450 D453 | G262-Y420 WeakPolarHBondContact O-CB 3.27Å; Y420-F422 HydrophobicContact CE1-CB 4.46Å; Y420-L425 HydrophobicContact CD2-CD2 3.93Å; Y420-L425 HydrophobicContact CE2-CD2 3.61Å; Y420-F446 HydrophobicContact CD2-CB 3.79Å; Y420-F446 AromaticContact CD2-CD1 3.91Å; Y420-F446 HydrophobicContact CD2-CD1 3.91Å; Y420-F446 HydrophobicContact CD2-CD2 4.44Å; Y420-F446 AromaticContact CD2-CG 3.81Å; Y420-F446 HydrophobicContact CD2-CG 3.81Å; Y420-F446 HydrophobicContact CE2-CB 4.25Å; Y420-F446 HydrophobicContact CG-CD1 4.45Å; Y420-K449 HydrophobicContact CD1-CD 3.76Å; Y420-K449 HydrophobicContact CD2-CB 4.48Å; Y420-K449 HydrophobicContact CD2-CD 3.71Å; Y420-K449 HydrophobicContact CD2-CG 4.36Å; Y420-K449 HydrophobicContact CE1-CD 3.91Å; Y420-K449 HydrophobicContact CE1-CG 4.36Å; Y420-K449 HydrophobicContact CE2-CB 4.07Å; Y420-K449 HydrophobicContact CE2-CD 3.8Å; Y420-K449 HydrophobicContact CE2-CG 3.97Å; Y420-K449 HydrophobicContact CG-CD 3.67Å; Y420-L450 HydrophobicContact CE2-CB 4.42Å; Y420-L450 WeakPolarHBondContact OH-CA 3.3Å; Y420-D453 WeakPolarHBondContact CE1-OD2 3.43Å; Y420-D453 WeakPolarHBondContact OH-CB 3.47Å; Y420-D453 PolarHBondContact OH-OD2 2.93Å; Y420-D453 VanDerWaalsContact OH-OD2 3.05Å | ||
| 421 | H | 91.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | trans | -129.9 | 124.7 | 165.7 | -177 | -59.2 | 0 | 0 | 0 | 110 | A253 T419 R423 H424 L425 | A253-H421 PolarHBondContact O-NE2 3.13Å; T419-H421 PolarHBondContact O-N 2.78Å; H421-R423 PolarHBondContact ND1-N 3.44Å; H421-R423 PolarHBondContact O-N 3.46Å; H421-H424 HydrophobicContact CB-CB 4Å; H421-H424 PolarHBondContact ND1-N 2.88Å; H421-H424 PolarHBondContact O-N 3.4Å; H421-L425 PolarHBondContact O-N 2.9Å | ||
| 422 | F | 94 | Very high | 89.1 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54 | -54.5 | -170.9 | 175.2 | -104.7 | 0 | 0 | 0 | 113.4 | M247 V248 H249 Y420 L426 L450 D453 Y457 V471 | M247-F422 HydrophobicContact CE-CB 4.23Å; M247-F422 HydrophobicContact CE-CD1 4.03Å; M247-F422 HydrophobicContact CE-CD2 3.44Å; M247-F422 VanDerWaalsContact CE-CD2 3.44Å; M247-F422 HydrophobicContact CE-CE1 4.23Å; M247-F422 HydrophobicContact CE-CE2 3.68Å; M247-F422 HydrophobicContact CE-CG 3.63Å; M247-F422 HydrophobicContact CE-CZ 4.07Å; V248-F422 VanDerWaalsContact O-CB 3.26Å; V248-F422 WeakPolarHBondContact O-CB 3.46Å; V248-F422 PolarHBondContact O-N 2.78Å; H249-F422 HydrophobicContact CB-CD1 3.88Å; H249-F422 HydrophobicContact CB-CG 4.41Å; Y420-F422 HydrophobicContact CE1-CB 4.46Å; F422-L426 HydrophobicContact CE1-CD2 4.31Å; F422-L426 HydrophobicContact CZ-CD2 4.26Å; F422-L426 VanDerWaalsContact O-CB 3.28Å; F422-L426 WeakPolarHBondContact O-CB 3.23Å; F422-L426 PolarHBondContact O-N 3.13Å; F422-L450 HydrophobicContact CD2-CD1 3.81Å; F422-L450 HydrophobicContact CE2-CD1 3.93Å; F422-D453 HydrophobicContact CD2-CB 3.87Å; F422-D453 HydrophobicContact CE2-CB 4.15Å; F422-Y457 HydrophobicContact CE1-CD1 4.49Å; F422-Y457 HydrophobicContact CE1-CD2 4.2Å; F422-Y457 HydrophobicContact CE1-CE2 4.5Å; F422-Y457 HydrophobicContact CE1-CG 4.2Å; F422-Y457 HydrophobicContact CZ-CD1 4.31Å; F422-Y457 HydrophobicContact CZ-CD2 4.44Å; F422-Y457 HydrophobicContact CZ-CG 4.02Å; F422-V471 HydrophobicContact CE1-CG1 4.43Å; F422-V471 HydrophobicContact CZ-CG1 4.31Å |
| 423 | R | 91.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 28.8 Ų | 28.8 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.3 | -46.1 | -179 | -60.6 | -176.3 | 78.4 | 86.7 | -3.8 | 112.7 | V215 V216 H249 G250 H421 L425 L426 H427 | V215-R423 HydrophobicContact CG1-CB 4.3Å; V215-R423 HydrophobicContact CG1-CG 4.5Å; V216-R423 PolarHBondContact O-NE 3.37Å; V216-R423 VanDerWaalsContact O-NE 3.12Å; H249-R423 WeakPolarHBondContact O-CD 3.29Å; H249-R423 VanDerWaalsContact O-CG 3.24Å; H249-R423 WeakPolarHBondContact O-CG 3.47Å; G250-R423 VanDerWaalsContact C-CD 3.43Å; G250-R423 WeakPolarHBondContact O-CD 3.33Å; H421-R423 PolarHBondContact ND1-N 3.44Å; H421-R423 PolarHBondContact O-N 3.46Å; R423-L425 PolarHBondContact O-N 3.21Å; R423-L426 PolarHBondContact O-N 3.39Å; R423-H427 WeakPolarHBondContact O-CB 3.29Å; R423-H427 PolarHBondContact O-N 2.91Å |
| 424 | H | 92.2 | Very high | 89.3 | Confident | 42 Ų | 42 | 28.3 Ų | 28.3 | 19% | 0.194 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -53.8 | -54.9 | 177.7 | -178.5 | 70.9 | 0 | 0 | 0 | 110.8 | V217 I416 H421 L426 H427 R428 | V217-H424 HydrophobicContact CG2-CB 3.84Å; I416-H424 HydrophobicContact CG2-CB 4.37Å; H421-H424 HydrophobicContact CB-CB 4Å; H421-H424 PolarHBondContact ND1-N 2.88Å; H421-H424 PolarHBondContact O-N 3.4Å; H424-L426 PolarHBondContact O-N 3.34Å; H424-H427 WeakPolarHBondContact O-CB 3.48Å; H424-H427 PolarHBondContact O-N 3.03Å; H424-R428 VanDerWaalsContact O-CG 3.24Å; H424-R428 WeakPolarHBondContact O-CG 3.23Å; H424-R428 PolarHBondContact O-N 3.07Å |
| 425 | L | 94.2 | Very high | 89.7 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68 | -35.4 | -177.5 | -169.8 | 64.7 | 0 | 0 | 0 | 112.4 | Y420 H421 R423 R428 F429 E443 F446 L450 | Y420-L425 HydrophobicContact CD2-CD2 3.93Å; Y420-L425 HydrophobicContact CE2-CD2 3.61Å; H421-L425 PolarHBondContact O-N 2.9Å; R423-L425 PolarHBondContact O-N 3.21Å; L425-R428 PolarHBondContact O-N 3.22Å; L425-F429 VanDerWaalsContact O-CB 3.31Å; L425-F429 WeakPolarHBondContact O-CB 3.42Å; L425-F429 PolarHBondContact O-N 2.99Å; L425-E443 HydrophobicContact CD1-CB 3.81Å; L425-E443 HydrophobicContact CD1-CG 3.89Å; L425-F446 HydrophobicContact CD2-CB 3.41Å; L425-F446 VanDerWaalsContact CD2-CB 3.41Å; L425-L450 HydrophobicContact CD2-CB 3.98Å; L425-L450 HydrophobicContact CD2-CD2 4.24Å; L425-L450 HydrophobicContact CG-CD2 4.07Å |
| 426 | L | 95.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 172.8 | 178.2 | 55.7 | 0 | 0 | 0 | 111.7 | V215 F422 R423 H424 F429 A430 L450 V471 T474 L475 I478 | V215-L426 HydrophobicContact CG1-CD2 3.87Å; V215-L426 HydrophobicContact CG1-CG 4.22Å; F422-L426 HydrophobicContact CE1-CD2 4.31Å; F422-L426 HydrophobicContact CZ-CD2 4.26Å; F422-L426 VanDerWaalsContact O-CB 3.28Å; F422-L426 WeakPolarHBondContact O-CB 3.23Å; F422-L426 PolarHBondContact O-N 3.13Å; R423-L426 PolarHBondContact O-N 3.39Å; H424-L426 PolarHBondContact O-N 3.34Å; L426-F429 PolarHBondContact O-N 3.2Å; L426-A430 WeakPolarHBondContact O-CB 3.02Å; L426-A430 PolarHBondContact O-N 2.85Å; L426-L450 HydrophobicContact CB-CD1 4.33Å; L426-V471 HydrophobicContact CD2-CG1 3.95Å; L426-V471 HydrophobicContact CD2-CG2 4.44Å; L426-T474 HydrophobicContact CD1-CG2 4.38Å; L426-T474 HydrophobicContact CG-CG2 4.4Å; L426-L475 HydrophobicContact CD1-CD2 3.57Å; L426-L475 HydrophobicContact CD1-CG 4.4Å; L426-I478 HydrophobicContact CD1-CD1 3.97Å |
| 427 | H | 93.5 | Very high | 90.9 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 175.9 | 178.1 | 81.7 | 0 | 0 | 0 | 112.4 | Y212 V215 R423 H424 A430 K431 | Y212-H427 PolarHBondContact O-ND1 3.22Å; V215-H427 WeakPolarHBondContact O-CB 3.41Å; R423-H427 WeakPolarHBondContact O-CB 3.29Å; R423-H427 PolarHBondContact O-N 2.91Å; H424-H427 WeakPolarHBondContact O-CB 3.48Å; H424-H427 PolarHBondContact O-N 3.03Å; H427-A430 WeakPolarHBondContact O-CB 3.15Å; H427-A430 PolarHBondContact O-N 3.5Å; H427-K431 WeakPolarHBondContact NE2-CD 3.42Å; H427-K431 WeakPolarHBondContact NE2-CE 3.26Å; H427-K431 PolarHBondContact NE2-NZ 3.27Å; H427-K431 PolarHBondContact O-N 3.05Å |
| 428 | R | 94.4 | Very high | 91.8 | Very high | 37 Ų | 37 | 42 Ų | 42 | 14% | 0.14 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 175.1 | -69.2 | -69.3 | -60.3 | 147 | 7.7 | 111.3 | H424 L425 K431 H432 E437 K438 L439 E443 | H424-R428 VanDerWaalsContact O-CG 3.24Å; H424-R428 WeakPolarHBondContact O-CG 3.23Å; H424-R428 PolarHBondContact O-N 3.07Å; L425-R428 PolarHBondContact O-N 3.22Å; R428-K431 PolarHBondContact O-N 2.97Å; R428-H432 WeakPolarHBondContact O-CB 3.39Å; R428-H432 PolarHBondContact O-N 2.7Å; R428-E437 IonicContact CZ-OE1 2.96Å; R428-E437 IonicContact NH1-OE1 2.7Å; R428-E437 PolarHBondContact NH1-OE1 2.99Å; R428-E437 IonicContact NH1-OE2 3.78Å; R428-E437 PolarHBondContact NH1-OE2 3.03Å; R428-K438 PolarHBondContact NH2-O 3.24Å; R428-L439 HydrophobicContact CB-CD2 4.11Å; R428-E443 WeakPolarHBondContact CD-OE1 3.31Å; R428-E443 VanDerWaalsContact CG-OE1 3.27Å; R428-E443 WeakPolarHBondContact CG-OE1 3.23Å; R428-E443 IonicContact CZ-OE1 3.9Å; R428-E443 IonicContact CZ-OE2 2.77Å; R428-E443 IonicContact NE-OE1 3.34Å; R428-E443 PolarHBondContact NE-OE1 3.08Å; R428-E443 IonicContact NE-OE2 2.9Å; R428-E443 IonicContact NH2-OE1 2.73Å; R428-E443 IonicContact NH2-OE2 2.82Å; R428-E443 PolarHBondContact NH2-OE2 3.46Å |
| 429 | F | 95.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.4 | -172 | -111.7 | 0 | 0 | 0 | 112.4 | L425 L426 H432 V433 L439 L447 L450 I478 K497 L500 L501 | L425-F429 VanDerWaalsContact O-CB 3.31Å; L425-F429 WeakPolarHBondContact O-CB 3.42Å; L425-F429 PolarHBondContact O-N 2.99Å; L426-F429 PolarHBondContact O-N 3.2Å; F429-H432 WeakPolarHBondContact O-CB 3.48Å; F429-H432 PolarHBondContact O-N 2.81Å; F429-V433 HydrophobicContact CD1-CG2 4.48Å; F429-V433 HydrophobicContact CE1-CG2 4.09Å; F429-V433 HydrophobicContact CE2-CG2 4.42Å; F429-V433 HydrophobicContact CZ-CG2 4.04Å; F429-V433 WeakPolarHBondContact O-CG2 3.39Å; F429-V433 PolarHBondContact O-N 3.46Å; F429-L439 HydrophobicContact CD2-CD1 4.17Å; F429-L447 HydrophobicContact CD2-CD1 4.49Å; F429-L447 HydrophobicContact CD2-CD2 3.75Å; F429-L447 HydrophobicContact CE2-CD1 4.37Å; F429-L447 HydrophobicContact CE2-CD2 4.3Å; F429-L447 HydrophobicContact CG-CD2 4.34Å; F429-L450 HydrophobicContact CB-CD2 4.27Å; F429-I478 HydrophobicContact CD1-CD1 4.13Å; F429-I478 HydrophobicContact CD1-CG2 4.3Å; F429-I478 HydrophobicContact CE1-CG2 3.76Å; F429-K497 HydrophobicContact CE2-CG 4.07Å; F429-K497 HydrophobicContact CZ-CG 4.19Å; F429-L500 HydrophobicContact CD1-CD2 3.7Å; F429-L500 HydrophobicContact CD2-CD2 3.93Å; F429-L500 HydrophobicContact CE1-CD2 3.49Å; F429-L500 VanDerWaalsContact CE1-CD2 3.49Å; F429-L500 HydrophobicContact CE1-CG 4.21Å; F429-L500 HydrophobicContact CE2-CD2 3.76Å; F429-L500 HydrophobicContact CG-CD2 3.92Å; F429-L500 HydrophobicContact CZ-CD2 3.54Å; F429-L500 HydrophobicContact CZ-CG 4.31Å; F429-L501 HydrophobicContact CE1-CD2 4.09Å; F429-L501 HydrophobicContact CZ-CD2 4.04Å; F429-L501 HydrophobicContact CZ-CG 4.29Å |
| 430 | A | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.6 | -49.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y212 L426 H427 H432 V433 T434 T474 I478 | Y212-A430 HydrophobicContact CD2-CB 3.58Å; Y212-A430 HydrophobicContact CE2-CB 4.38Å; Y212-A430 HydrophobicContact CG-CB 4.05Å; L426-A430 WeakPolarHBondContact O-CB 3.02Å; L426-A430 PolarHBondContact O-N 2.85Å; H427-A430 WeakPolarHBondContact O-CB 3.15Å; H427-A430 PolarHBondContact O-N 3.5Å; A430-H432 VanDerWaalsContact C-N 3.34Å; A430-H432 PolarHBondContact O-N 2.89Å; A430-V433 PolarHBondContact O-N 2.83Å; A430-V433 VanDerWaalsContact O-N 3.1Å; A430-T434 WeakPolarHBondContact O-CB 3.37Å; A430-T434 VanDerWaalsContact O-CG2 3.31Å; A430-T434 WeakPolarHBondContact O-CG2 3.1Å; A430-T434 PolarHBondContact O-N 2.49Å; A430-T434 PolarHBondContact O-OG1 3.27Å; A430-T474 HydrophobicContact CB-CG2 4.27Å; A430-I478 HydrophobicContact CB-CD1 3.99Å; A430-I478 HydrophobicContact CB-CG1 4.3Å |
| 431 | K | 93.6 | Very high | 93 | Very high | 60 Ų | 60 | 47 Ų | 47 | 26% | 0.261 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 175.2 | -80.1 | 177.8 | 160.6 | 172.1 | 0 | 112.9 | Y212 H427 R428 V433 T434 V435 K436 E437 | Y212-K431 HydrophobicContact CE2-CG 4.15Å; H427-K431 WeakPolarHBondContact NE2-CD 3.42Å; H427-K431 WeakPolarHBondContact NE2-CE 3.26Å; H427-K431 PolarHBondContact NE2-NZ 3.27Å; H427-K431 PolarHBondContact O-N 3.05Å; R428-K431 PolarHBondContact O-N 2.97Å; K431-V433 VanDerWaalsContact C-N 3.26Å; K431-V433 PolarHBondContact O-N 2.8Å; K431-T434 PolarHBondContact O-N 3.42Å; K431-V435 HydrophobicContact CB-CG2 4.21Å; K431-V435 HydrophobicContact CG-CG2 4.48Å; K431-V435 WeakPolarHBondContact O-CG2 3.37Å; K431-V435 PolarHBondContact O-N 3.31Å; K431-K436 PolarHBondContact O-N 3.21Å; K431-E437 HydrophobicContact CB-CB 4.4Å; K431-E437 WeakPolarHBondContact CD-OE2 3.21Å |
| 432 | H | 94.5 | Very high | 92.8 | Very high | 40 Ų | 40 | 51 Ų | 51 | 19% | 0.185 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.1 | -41.7 | 174.5 | 173.8 | 72.6 | 0 | 0 | 0 | 112.1 | R428 F429 A430 K436 E437 L439 K497 | R428-H432 WeakPolarHBondContact O-CB 3.39Å; R428-H432 PolarHBondContact O-N 2.7Å; F429-H432 WeakPolarHBondContact O-CB 3.48Å; F429-H432 PolarHBondContact O-N 2.81Å; A430-H432 VanDerWaalsContact C-N 3.34Å; A430-H432 PolarHBondContact O-N 2.89Å; H432-K436 VanDerWaalsContact O-CA 3.29Å; H432-K436 WeakPolarHBondContact O-CA 3.48Å; H432-K436 PolarHBondContact O-N 2.76Å; H432-E437 VanDerWaalsContact CA-O 3.28Å; H432-E437 WeakPolarHBondContact CA-O 3.46Å; H432-E437 WeakPolarHBondContact CB-O 3.46Å; H432-E437 PolarHBondContact ND1-O 3.49Å; H432-L439 HydrophobicContact CB-CD1 4.39Å; H432-L439 HydrophobicContact CB-CD2 4.04Å; H432-L439 HydrophobicContact CB-CG 4Å; H432-K497 PolarHBondContact NE2-NZ 3.03Å |
| 433 | V | 93.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.3 | -47.6 | 178.5 | 165.9 | 0 | 0 | 0 | 0 | 112 | F429 A430 K431 K436 I478 K481 S482 | F429-V433 HydrophobicContact CD1-CG2 4.48Å; F429-V433 HydrophobicContact CE1-CG2 4.09Å; F429-V433 HydrophobicContact CE2-CG2 4.42Å; F429-V433 HydrophobicContact CZ-CG2 4.04Å; F429-V433 WeakPolarHBondContact O-CG2 3.39Å; F429-V433 PolarHBondContact O-N 3.46Å; A430-V433 PolarHBondContact O-N 2.83Å; A430-V433 VanDerWaalsContact O-N 3.1Å; K431-V433 VanDerWaalsContact C-N 3.26Å; K431-V433 PolarHBondContact O-N 2.8Å; V433-K436 PolarHBondContact O-NZ 2.95Å; V433-I478 HydrophobicContact CG2-CG2 4.28Å; V433-K481 HydrophobicContact CG1-CB 3.9Å; V433-S482 WeakPolarHBondContact CG1-OG 2.84Å; V433-S482 WeakPolarHBondContact CG2-OG 3.43Å |
| 434 | T | 88.4 | Confident | 92.8 | Very high | 32 Ų | 32 | 56 Ų | 56 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -80.7 | -44.8 | -168.9 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | Y212 A430 K431 K481 | Y212-T434 HydrophobicContact CD1-CG2 4.24Å; Y212-T434 HydrophobicContact CE1-CG2 3.84Å; Y212-T434 HydrophobicContact CE2-CG2 4.42Å; Y212-T434 PolarHBondContact OH-OG1 3.04Å; A430-T434 WeakPolarHBondContact O-CB 3.37Å; A430-T434 VanDerWaalsContact O-CG2 3.31Å; A430-T434 WeakPolarHBondContact O-CG2 3.1Å; A430-T434 PolarHBondContact O-N 2.49Å; A430-T434 PolarHBondContact O-OG1 3.27Å; K431-T434 PolarHBondContact O-N 3.42Å; T434-K481 HydrophobicContact CG2-CD 3.74Å |
| 435 | V | 91.6 | Very high | 92.6 | Very high | 89 Ų | 89 | 61 Ų | 61 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -119.7 | 8.8 | -174 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | K431 E437 | K431-V435 HydrophobicContact CB-CG2 4.21Å; K431-V435 HydrophobicContact CG-CG2 4.48Å; K431-V435 WeakPolarHBondContact O-CG2 3.37Å; K431-V435 PolarHBondContact O-N 3.31Å; V435-E437 VanDerWaalsContact C-N 3.26Å; V435-E437 HydrophobicContact CG2-CB 4.43Å; V435-E437 PolarHBondContact O-N 3.5Å |
| 436 | K | 92.1 | Very high | 92.6 | Very high | 154 Ų | 154 | 62.5 Ų | 62.5 | 67% | 0.67 | 30% | 0.298 | S | S | * | . | trans | 62.1 | 28 | 175.5 | -51.7 | -54 | -178.1 | -157.1 | 0 | 114.6 | K431 H432 V433 | K431-K436 PolarHBondContact O-N 3.21Å; H432-K436 VanDerWaalsContact O-CA 3.29Å; H432-K436 WeakPolarHBondContact O-CA 3.48Å; H432-K436 PolarHBondContact O-N 2.76Å; V433-K436 PolarHBondContact O-NZ 2.95Å | ||
| 437 | E | 93.6 | Very high | 92.5 | Very high | 77 Ų | 77 | 62.6 Ų | 62.6 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 141.1 | 170.7 | -164.2 | 172.3 | 168.7 | 0 | 0 | 110.7 | R428 K431 H432 V435 | R428-E437 IonicContact CZ-OE1 2.96Å; R428-E437 IonicContact NH1-OE1 2.7Å; R428-E437 PolarHBondContact NH1-OE1 2.99Å; R428-E437 IonicContact NH1-OE2 3.78Å; R428-E437 PolarHBondContact NH1-OE2 3.03Å; K431-E437 HydrophobicContact CB-CB 4.4Å; K431-E437 WeakPolarHBondContact CD-OE2 3.21Å; H432-E437 VanDerWaalsContact CA-O 3.28Å; H432-E437 WeakPolarHBondContact CA-O 3.46Å; H432-E437 WeakPolarHBondContact CB-O 3.46Å; H432-E437 PolarHBondContact ND1-O 3.49Å; V435-E437 VanDerWaalsContact C-N 3.26Å; V435-E437 HydrophobicContact CG2-CB 4.43Å; V435-E437 PolarHBondContact O-N 3.5Å |
| 438 | K | 94.2 | Very high | 92.3 | Very high | 181 Ų | 181 | 67 Ų | 67 | 79% | 0.787 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 141.6 | -179.8 | -68.3 | -175.5 | -179.7 | 179.5 | 0 | 110.6 | R428 | R428-K438 PolarHBondContact NH2-O 3.24Š|
| 439 | L | 93.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 66.7 Ų | 66.7 | 10% | 0.099 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -83 | 149.7 | 167.8 | -63 | 176.4 | 0 | 0 | 0 | 109.6 | R428 F429 H432 E443 E444 L447 | R428-L439 HydrophobicContact CB-CD2 4.11Å; F429-L439 HydrophobicContact CD2-CD1 4.17Å; H432-L439 HydrophobicContact CB-CD1 4.39Å; H432-L439 HydrophobicContact CB-CD2 4.04Å; H432-L439 HydrophobicContact CB-CG 4Å; L439-E443 WeakPolarHBondContact CA-OE2 3.25Å; L439-E443 HydrophobicContact CB-CB 4.03Å; L439-E443 HydrophobicContact CD2-CB 4.28Å; L439-E444 HydrophobicContact CB-CG 3.91Å; L439-E444 HydrophobicContact CD1-CG 4.31Å; L439-L447 HydrophobicContact CD1-CD1 4.06Å; L439-L447 HydrophobicContact CD1-CD2 4.16Å |
| 440 | S | 92 | Very high | 92.2 | Very high | 52 Ų | 52 | 66.7 Ų | 66.7 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -71 | 167.6 | 166.2 | 81.5 | 0 | 0 | 0 | 0 | 110.3 | D442 E443 E444 | S440-D442 VanDerWaalsContact C-N 3.32Å; S440-D442 PolarHBondContact O-N 3.24Å; S440-D442 PolarHBondContact OG-N 2.88Å; S440-E443 PolarHBondContact N-OE2 2.93Å; S440-E443 PolarHBondContact O-N 3.23Å; S440-E443 VanDerWaalsContact OG-CG 3.3Å; S440-E443 WeakPolarHBondContact OG-CG 3.49Å; S440-E443 PolarHBondContact OG-N 3.08Å; S440-E443 VanDerWaalsContact OG-N 3.11Å; S440-E444 WeakPolarHBondContact O-CG 3.44Å; S440-E444 PolarHBondContact O-N 3.39Å; S440-E444 VanDerWaalsContact O-N 3.07Å |
| 441 | K | 89.4 | Confident | 92.2 | Very high | 169 Ų | 169 | 66.7 Ų | 66.7 | 74% | 0.735 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | 175.8 | -70.4 | -176.5 | 177.1 | 179.9 | 0 | 111.6 | E443 E444 E445 | K441-E443 VanDerWaalsContact C-N 3.34Å; K441-E443 PolarHBondContact O-N 3.3Å; K441-E444 WeakPolarHBondContact O-CB 3.34Å; K441-E444 PolarHBondContact O-N 3.28Å; K441-E445 PolarHBondContact O-N 3.47Å |
| 442 | D | 86.5 | Confident | 92 | Very high | 84 Ų | 84 | 66.8 Ų | 66.8 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 179.6 | -51.3 | -41.1 | 0 | 0 | 0 | 110.8 | S440 E444 E445 F446 | S440-D442 VanDerWaalsContact C-N 3.32Å; S440-D442 PolarHBondContact O-N 3.24Å; S440-D442 PolarHBondContact OG-N 2.88Å; D442-E444 VanDerWaalsContact C-N 3.33Å; D442-E444 PolarHBondContact O-N 3.3Å; D442-E445 PolarHBondContact O-N 3.44Å; D442-F446 WeakPolarHBondContact O-CD2 3.25Å; D442-F446 PolarHBondContact O-N 3.37Å; D442-F446 VanDerWaalsContact O-N 3.16Å |
| 443 | E | 92.3 | Very high | 92 | Very high | 16 Ų | 16 | 65.1 Ų | 65.1 | 8% | 0.075 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -40.7 | 173.9 | -72.3 | 177.1 | 144.2 | 0 | 0 | 112.1 | L425 R428 L439 S440 K441 F446 L447 | L425-E443 HydrophobicContact CD1-CB 3.81Å; L425-E443 HydrophobicContact CD1-CG 3.89Å; R428-E443 WeakPolarHBondContact CD-OE1 3.31Å; R428-E443 VanDerWaalsContact CG-OE1 3.27Å; R428-E443 WeakPolarHBondContact CG-OE1 3.23Å; R428-E443 IonicContact CZ-OE1 3.9Å; R428-E443 IonicContact CZ-OE2 2.77Å; R428-E443 IonicContact NE-OE1 3.34Å; R428-E443 PolarHBondContact NE-OE1 3.08Å; R428-E443 IonicContact NE-OE2 2.9Å; R428-E443 IonicContact NH2-OE1 2.73Å; R428-E443 IonicContact NH2-OE2 2.82Å; R428-E443 PolarHBondContact NH2-OE2 3.46Å; L439-E443 WeakPolarHBondContact CA-OE2 3.25Å; L439-E443 HydrophobicContact CB-CB 4.03Å; L439-E443 HydrophobicContact CD2-CB 4.28Å; S440-E443 PolarHBondContact N-OE2 2.93Å; S440-E443 PolarHBondContact O-N 3.23Å; S440-E443 VanDerWaalsContact OG-CG 3.3Å; S440-E443 WeakPolarHBondContact OG-CG 3.49Å; S440-E443 PolarHBondContact OG-N 3.08Å; S440-E443 VanDerWaalsContact OG-N 3.11Å; K441-E443 VanDerWaalsContact C-N 3.34Å; K441-E443 PolarHBondContact O-N 3.3Å; E443-F446 PolarHBondContact O-N 3.16Å; E443-L447 WeakPolarHBondContact O-CG 3.48Å; E443-L447 PolarHBondContact O-N 2.89Å |
| 444 | E | 92.5 | Very high | 92.2 | Very high | 96 Ų | 96 | 65 Ų | 65 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 176.8 | -74 | -176.1 | 176.3 | 0 | 0 | 112.6 | L439 S440 K441 D442 F446 L447 P496 | L439-E444 HydrophobicContact CB-CG 3.91Å; L439-E444 HydrophobicContact CD1-CG 4.31Å; S440-E444 WeakPolarHBondContact O-CG 3.44Å; S440-E444 PolarHBondContact O-N 3.39Å; S440-E444 VanDerWaalsContact O-N 3.07Å; K441-E444 WeakPolarHBondContact O-CB 3.34Å; K441-E444 PolarHBondContact O-N 3.28Å; D442-E444 VanDerWaalsContact C-N 3.33Å; D442-E444 PolarHBondContact O-N 3.3Å; E444-F446 VanDerWaalsContact C-N 3.28Å; E444-F446 PolarHBondContact O-N 3.41Å; E444-L447 WeakPolarHBondContact O-CG 3.44Å; E444-L447 PolarHBondContact O-N 3.06Å; E444-P496 WeakPolarHBondContact O-CB 3.37Å |
| 445 | E | 89.9 | Confident | 92.3 | Very high | 147 Ų | 147 | 64.5 Ų | 64.5 | 69% | 0.687 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.8 | -35.2 | 176.7 | -71.8 | -173.9 | -178.4 | 0 | 0 | 111.9 | K441 D442 L447 | K441-E445 PolarHBondContact O-N 3.47Å; D442-E445 PolarHBondContact O-N 3.44Å; E445-L447 VanDerWaalsContact C-N 3.33Å; E445-L447 PolarHBondContact O-N 2.53Å |
| 446 | F | 93 | Very high | 92.4 | Very high | 37 Ų | 37 | 61.7 Ų | 61.7 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -8.7 | 178.8 | -71.1 | -47 | 0 | 0 | 0 | 115.3 | Y420 L425 D442 E443 E444 K448 K449 L450 | Y420-F446 HydrophobicContact CD2-CB 3.79Å; Y420-F446 AromaticContact CD2-CD1 3.91Å; Y420-F446 HydrophobicContact CD2-CD1 3.91Å; Y420-F446 HydrophobicContact CD2-CD2 4.44Å; Y420-F446 AromaticContact CD2-CG 3.81Å; Y420-F446 HydrophobicContact CD2-CG 3.81Å; Y420-F446 HydrophobicContact CE2-CB 4.25Å; Y420-F446 HydrophobicContact CG-CD1 4.45Å; L425-F446 HydrophobicContact CD2-CB 3.41Å; L425-F446 VanDerWaalsContact CD2-CB 3.41Å; D442-F446 WeakPolarHBondContact O-CD2 3.25Å; D442-F446 PolarHBondContact O-N 3.37Å; D442-F446 VanDerWaalsContact O-N 3.16Å; E443-F446 PolarHBondContact O-N 3.16Å; E444-F446 VanDerWaalsContact C-N 3.28Å; E444-F446 PolarHBondContact O-N 3.41Å; F446-K448 VanDerWaalsContact C-N 3.26Å; F446-K448 PolarHBondContact O-N 2.98Å; F446-K449 WeakPolarHBondContact O-CB 3.5Å; F446-K449 PolarHBondContact O-N 3.35Å; F446-K449 VanDerWaalsContact O-N 3.08Å; F446-L450 PolarHBondContact O-N 3.5Å |
| 447 | L | 94.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -32.4 | -177.4 | -64.2 | -179 | 0 | 0 | 0 | 113.3 | F429 L439 E443 E444 E445 L450 G451 P496 K497 L500 | F429-L447 HydrophobicContact CD2-CD1 4.49Å; F429-L447 HydrophobicContact CD2-CD2 3.75Å; F429-L447 HydrophobicContact CE2-CD1 4.37Å; F429-L447 HydrophobicContact CE2-CD2 4.3Å; F429-L447 HydrophobicContact CG-CD2 4.34Å; L439-L447 HydrophobicContact CD1-CD1 4.06Å; L439-L447 HydrophobicContact CD1-CD2 4.16Å; E443-L447 WeakPolarHBondContact O-CG 3.48Å; E443-L447 PolarHBondContact O-N 2.89Å; E444-L447 WeakPolarHBondContact O-CG 3.44Å; E444-L447 PolarHBondContact O-N 3.06Å; E445-L447 VanDerWaalsContact C-N 3.33Å; E445-L447 PolarHBondContact O-N 2.53Å; L447-L450 HydrophobicContact CD2-CD2 4.43Å; L447-L450 PolarHBondContact O-N 3.31Å; L447-G451 PolarHBondContact O-N 3.23Å; L447-P496 HydrophobicContact CB-CB 3.94Å; L447-P496 HydrophobicContact CD1-CB 4.25Å; L447-K497 HydrophobicContact CD1-CB 4.19Å; L447-L500 HydrophobicContact CB-CB 4.42Å; L447-L500 HydrophobicContact CB-CD2 4.18Å; L447-L500 HydrophobicContact CD2-CD2 3.83Å; L447-L500 HydrophobicContact CG-CD2 4.46Å |
| 448 | K | 89.3 | Confident | 92.6 | Very high | 109 Ų | 109 | 51.1 Ų | 51.1 | 47% | 0.474 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 174.9 | -71.5 | -176.4 | 179.4 | 178 | 0 | 111.5 | F446 G451 S452 P496 | F446-K448 VanDerWaalsContact C-N 3.26Å; F446-K448 PolarHBondContact O-N 2.98Å; K448-G451 PolarHBondContact O-N 3.02Å; K448-S452 PolarHBondContact O-N 3.43Å; K448-P496 HydrophobicContact CG-CB 4.46Å |
| 449 | K | 91.4 | Very high | 92.5 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 13% | 0.13 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.8 | -172.8 | -175.5 | -176.2 | -28.8 | 0 | 110.6 | E245 G262 Y420 F446 G451 S452 D453 | E245-K449 WeakPolarHBondContact OE1-CE 3.27Å; E245-K449 IonicContact OE1-NZ 3.88Å; E245-K449 PolarHBondContact OE1-NZ 3.12Å; G262-K449 WeakPolarHBondContact O-CE 3.42Å; Y420-K449 HydrophobicContact CD1-CD 3.76Å; Y420-K449 HydrophobicContact CD2-CB 4.48Å; Y420-K449 HydrophobicContact CD2-CD 3.71Å; Y420-K449 HydrophobicContact CD2-CG 4.36Å; Y420-K449 HydrophobicContact CE1-CD 3.91Å; Y420-K449 HydrophobicContact CE1-CG 4.36Å; Y420-K449 HydrophobicContact CE2-CB 4.07Å; Y420-K449 HydrophobicContact CE2-CD 3.8Å; Y420-K449 HydrophobicContact CE2-CG 3.97Å; Y420-K449 HydrophobicContact CG-CD 3.67Å; F446-K449 WeakPolarHBondContact O-CB 3.5Å; F446-K449 PolarHBondContact O-N 3.35Å; F446-K449 VanDerWaalsContact O-N 3.08Å; K449-G451 PolarHBondContact O-N 3.28Å; K449-S452 WeakPolarHBondContact O-CB 3.32Å; K449-S452 PolarHBondContact O-N 3.19Å; K449-S452 VanDerWaalsContact O-N 3.08Å; K449-D453 IonicContact NZ-OD1 3.25Å; K449-D453 PolarHBondContact NZ-OD1 2.86Å; K449-D453 IonicContact NZ-OD2 3.23Å; K449-D453 PolarHBondContact NZ-OD2 3.45Å; K449-D453 WeakPolarHBondContact O-CB 3.47Å; K449-D453 PolarHBondContact O-N 3.48Å |
| 450 | L | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.4 | -39.7 | 174.4 | -176 | 61.9 | 0 | 0 | 0 | 112.6 | Y420 F422 L425 L426 F429 F446 L447 D453 C454 L500 | Y420-L450 HydrophobicContact CE2-CB 4.42Å; Y420-L450 WeakPolarHBondContact OH-CA 3.3Å; F422-L450 HydrophobicContact CD2-CD1 3.81Å; F422-L450 HydrophobicContact CE2-CD1 3.93Å; L425-L450 HydrophobicContact CD2-CB 3.98Å; L425-L450 HydrophobicContact CD2-CD2 4.24Å; L425-L450 HydrophobicContact CG-CD2 4.07Å; L426-L450 HydrophobicContact CB-CD1 4.33Å; F429-L450 HydrophobicContact CB-CD2 4.27Å; F446-L450 PolarHBondContact O-N 3.5Å; L447-L450 HydrophobicContact CD2-CD2 4.43Å; L447-L450 PolarHBondContact O-N 3.31Å; L450-D453 PolarHBondContact O-N 2.86Å; L450-C454 VanDerWaalsContact O-CB 3.29Å; L450-C454 WeakPolarHBondContact O-CB 3.47Å; L450-C454 PolarHBondContact O-N 3.3Å; L450-C454 PolarHBondContact O-SG 3.16Å; L450-L500 HydrophobicContact CB-CD1 4.22Å; L450-L500 HydrophobicContact CD2-CD1 4.32Å; L450-L500 HydrophobicContact CD2-CD2 3.9Å; L450-L500 HydrophobicContact CG-CD1 4.06Å; L450-L500 HydrophobicContact CG-CD2 4.49Å |
| 451 | G | 94.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L447 K448 K449 C454 S455 | L447-G451 PolarHBondContact O-N 3.23Å; K448-G451 PolarHBondContact O-N 3.02Å; K449-G451 PolarHBondContact O-N 3.28Å; G451-C454 PolarHBondContact O-N 3.05Å; G451-S455 PolarHBondContact O-N 2.74Å |
| 452 | S | 91 | Very high | 92.3 | Very high | 62 Ų | 62 | 42 Ų | 42 | 43% | 0.434 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | K448 K449 S455 T456 | K448-S452 PolarHBondContact O-N 3.43Å; K449-S452 WeakPolarHBondContact O-CB 3.32Å; K449-S452 PolarHBondContact O-N 3.19Å; K449-S452 VanDerWaalsContact O-N 3.08Å; S452-S455 WeakPolarHBondContact O-CB 3.47Å; S452-S455 PolarHBondContact O-N 3.05Å; S452-T456 WeakPolarHBondContact O-CB 3.38Å; S452-T456 PolarHBondContact O-N 3.14Å; S452-T456 PolarHBondContact O-OG1 2.85Å |
| 453 | D | 94.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.8 | -37.7 | 179.9 | -76.3 | 24.2 | 0 | 0 | 0 | 111.1 | M247 Y420 F422 K449 L450 T456 Y457 | M247-D453 HydrophobicContact CE-CB 3.79Å; M247-D453 HydrophobicContact SD-CB 4.44Å; Y420-D453 WeakPolarHBondContact CE1-OD2 3.43Å; Y420-D453 WeakPolarHBondContact OH-CB 3.47Å; Y420-D453 PolarHBondContact OH-OD2 2.93Å; Y420-D453 VanDerWaalsContact OH-OD2 3.05Å; F422-D453 HydrophobicContact CD2-CB 3.87Å; F422-D453 HydrophobicContact CE2-CB 4.15Å; K449-D453 IonicContact NZ-OD1 3.25Å; K449-D453 PolarHBondContact NZ-OD1 2.86Å; K449-D453 IonicContact NZ-OD2 3.23Å; K449-D453 PolarHBondContact NZ-OD2 3.45Å; K449-D453 WeakPolarHBondContact O-CB 3.47Å; K449-D453 PolarHBondContact O-N 3.48Å; L450-D453 PolarHBondContact O-N 2.86Å; D453-T456 PolarHBondContact O-N 3.21Å; D453-Y457 VanDerWaalsContact O-CB 3.23Å; D453-Y457 WeakPolarHBondContact O-CB 3.49Å; D453-Y457 PolarHBondContact O-N 3.42Å |
| 454 | C | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60 | -47.6 | 171.4 | -73.4 | 0 | 0 | 0 | 0 | 110.9 | L450 G451 T456 Y457 L458 L475 I504 | L450-C454 VanDerWaalsContact O-CB 3.29Å; L450-C454 WeakPolarHBondContact O-CB 3.47Å; L450-C454 PolarHBondContact O-N 3.3Å; L450-C454 PolarHBondContact O-SG 3.16Å; G451-C454 PolarHBondContact O-N 3.05Å; C454-T456 VanDerWaalsContact C-N 3.3Å; C454-T456 PolarHBondContact O-N 2.96Å; C454-Y457 PolarHBondContact O-N 3.15Å; C454-L458 WeakPolarHBondContact O-CB 3.42Å; C454-L458 WeakPolarHBondContact O-CG 3.2Å; C454-L458 PolarHBondContact O-N 2.94Å; C454-L475 HydrophobicContact CB-CD1 4.46Å; C454-I504 HydrophobicContact CB-CG2 3.71Å |
| 455 | S | 92 | Very high | 91.7 | Very high | 22 Ų | 22 | 42 Ų | 42 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.8 | -45.9 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | G451 S452 L458 N459 | G451-S455 PolarHBondContact O-N 2.74Å; S452-S455 WeakPolarHBondContact O-CB 3.47Å; S452-S455 PolarHBondContact O-N 3.05Å; S455-L458 PolarHBondContact O-N 3.16Å; S455-N459 PolarHBondContact O-N 3.5Å; S455-N459 PolarHBondContact O-ND2 2.8Å |
| 456 | T | 93.1 | Very high | 91.5 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 19% | 0.19 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.8 | -44.5 | 179.8 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | M381 L398 S452 D453 C454 N459 | M381-T456 HydrophobicContact CE-CG2 4.29Å; M381-T456 HydrophobicContact CG-CG2 4.04Å; M381-T456 HydrophobicContact SD-CG2 3.64Å; L398-T456 HydrophobicContact CD2-CG2 3.64Å; S452-T456 WeakPolarHBondContact O-CB 3.38Å; S452-T456 PolarHBondContact O-N 3.14Å; S452-T456 PolarHBondContact O-OG1 2.85Å; D453-T456 PolarHBondContact O-N 3.21Å; C454-T456 VanDerWaalsContact C-N 3.3Å; C454-T456 PolarHBondContact O-N 2.96Å; T456-N459 WeakPolarHBondContact O-CB 3.35Å; T456-N459 PolarHBondContact O-N 2.84Å |
| 457 | Y | 95 | Very high | 91.1 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | 176.3 | -174.5 | -95 | 0 | 0 | 0 | 111.7 | M247 H249 F422 D453 C454 N459 M460 Y468 V471 | M247-Y457 HydrophobicContact CE-CD2 4.07Å; M247-Y457 HydrophobicContact CE-CG 4.34Å; H249-Y457 HydrophobicContact CB-CD2 4.14Å; H249-Y457 HydrophobicContact CB-CE2 4.11Å; H249-Y457 AromaticContact CG-CE2 3.9Å; H249-Y457 AromaticContact ND1-CE2 3.61Å; F422-Y457 HydrophobicContact CE1-CD1 4.49Å; F422-Y457 HydrophobicContact CE1-CD2 4.2Å; F422-Y457 HydrophobicContact CE1-CE2 4.5Å; F422-Y457 HydrophobicContact CE1-CG 4.2Å; F422-Y457 HydrophobicContact CZ-CD1 4.31Å; F422-Y457 HydrophobicContact CZ-CD2 4.44Å; F422-Y457 HydrophobicContact CZ-CG 4.02Å; D453-Y457 VanDerWaalsContact O-CB 3.23Å; D453-Y457 WeakPolarHBondContact O-CB 3.49Å; D453-Y457 PolarHBondContact O-N 3.42Å; C454-Y457 PolarHBondContact O-N 3.15Å; Y457-N459 PolarHBondContact O-N 2.8Å; Y457-M460 HydrophobicContact CD2-SD 4.04Å; Y457-M460 HydrophobicContact CE2-SD 4.11Å; Y457-M460 VanDerWaalsContact O-CB 3.26Å; Y457-M460 WeakPolarHBondContact O-CB 3.22Å; Y457-M460 VanDerWaalsContact O-CG 3.3Å; Y457-M460 WeakPolarHBondContact O-CG 3.42Å; Y457-M460 PolarHBondContact O-N 3.3Å; Y457-Y468 HydrophobicContact CD1-CD2 4.14Å; Y457-Y468 HydrophobicContact CD1-CE2 4.25Å; Y457-Y468 AromaticContact CE1-CD2 3.56Å; Y457-Y468 HydrophobicContact CE1-CD2 3.56Å; Y457-Y468 HydrophobicContact CE1-CE2 4.12Å; Y457-Y468 HydrophobicContact CE1-CG 4.35Å; Y457-Y468 WeakPolarHBondContact O-CE2 3.2Å; Y457-Y468 WeakPolarHBondContact OH-CA 3.44Å; Y457-V471 HydrophobicContact CD1-CB 4.4Å; Y457-V471 HydrophobicContact CD1-CG1 3.8Å; Y457-V471 HydrophobicContact CE1-CB 3.68Å; Y457-V471 HydrophobicContact CE1-CG1 3.6Å; Y457-V471 HydrophobicContact CE1-CG2 3.92Å |
| 458 | L | 94.9 | Very high | 91 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -27.1 | -179.2 | -67 | 172.2 | 0 | 0 | 0 | 112.3 | C454 S455 M460 K461 Y468 V472 L475 E507 V508 V511 | C454-L458 WeakPolarHBondContact O-CB 3.42Å; C454-L458 WeakPolarHBondContact O-CG 3.2Å; C454-L458 PolarHBondContact O-N 2.94Å; S455-L458 PolarHBondContact O-N 3.16Å; L458-M460 PolarHBondContact O-N 3.5Å; L458-M460 VanDerWaalsContact O-N 3.15Å; L458-K461 PolarHBondContact O-N 2.9Å; L458-K461 VanDerWaalsContact O-N 3.16Å; L458-Y468 HydrophobicContact CD2-CE2 4.49Å; L458-Y468 PolarHBondContact O-OH 2.96Å; L458-V472 HydrophobicContact CD2-CG2 3.68Å; L458-L475 HydrophobicContact CD1-CD1 4Å; L458-L475 HydrophobicContact CD2-CD1 4.06Å; L458-L475 HydrophobicContact CG-CD1 4.3Å; L458-E507 HydrophobicContact CD1-CB 3.77Å; L458-V508 HydrophobicContact CD1-CG2 3.82Å; L458-V511 HydrophobicContact CB-CG2 4.26Å; L458-V511 HydrophobicContact CD1-CG2 4.48Å; L458-V511 HydrophobicContact CD2-CG2 3.86Å; L458-V511 HydrophobicContact CG-CG2 4.41Å |
| 459 | N | 91.3 | Very high | 91 | Very high | 62 Ų | 62 | 32.2 Ų | 32.2 | 33% | 0.332 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -12.5 | 173.2 | -75.6 | -42.2 | 0 | 0 | 0 | 114.1 | N379 S455 T456 Y457 K461 | N379-N459 PolarHBondContact ND2-O 2.94Å; S455-N459 PolarHBondContact O-N 3.5Å; S455-N459 PolarHBondContact O-ND2 2.8Å; T456-N459 WeakPolarHBondContact O-CB 3.35Å; T456-N459 PolarHBondContact O-N 2.84Å; Y457-N459 PolarHBondContact O-N 2.8Å; N459-K461 VanDerWaalsContact C-N 3.26Å; N459-K461 PolarHBondContact O-N 3.15Å |
| 460 | M | 91.3 | Very high | 90.9 | Very high | 20 Ų | 20 | 31.4 Ų | 31.4 | 10% | 0.099 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -33.2 | 171.4 | -68.5 | 174.5 | 66.7 | 0 | 0 | 112.6 | M381 T382 N391 Y457 L458 A462 Y468 | M381-M460 HydrophobicContact CB-CG 3.87Å; M381-M460 HydrophobicContact CE-CG 3.79Å; M381-M460 HydrophobicContact CE-SD 3.79Å; M381-M460 HydrophobicContact CG-CG 4.43Å; T382-M460 WeakPolarHBondContact CG2-O 3.32Å; N391-M460 HydrophobicContact CB-CE 3.7Å; Y457-M460 HydrophobicContact CD2-SD 4.04Å; Y457-M460 HydrophobicContact CE2-SD 4.11Å; Y457-M460 VanDerWaalsContact O-CB 3.26Å; Y457-M460 WeakPolarHBondContact O-CB 3.22Å; Y457-M460 VanDerWaalsContact O-CG 3.3Å; Y457-M460 WeakPolarHBondContact O-CG 3.42Å; Y457-M460 PolarHBondContact O-N 3.3Å; L458-M460 PolarHBondContact O-N 3.5Å; L458-M460 VanDerWaalsContact O-N 3.15Å; M460-A462 HydrophobicContact CB-CB 4.39Å; M460-A462 PolarHBondContact O-N 3.35Å; M460-A462 VanDerWaalsContact O-N 3.15Å; M460-Y468 HydrophobicContact CB-CD2 4.35Å; M460-Y468 HydrophobicContact CB-CE2 4.14Å |
| 461 | K | 91 | Very high | 90.8 | Very high | 132 Ų | 132 | 31.4 Ų | 31.4 | 57% | 0.574 | 17% | 0.172 | S | C | * | . | trans | 50.3 | 33.8 | -176.6 | -57.6 | -176.7 | 180 | -176.3 | 0 | 113.8 | L458 N459 H463 V511 | L458-K461 PolarHBondContact O-N 2.9Å; L458-K461 VanDerWaalsContact O-N 3.16Å; N459-K461 VanDerWaalsContact C-N 3.26Å; N459-K461 PolarHBondContact O-N 3.15Å; K461-H463 PolarHBondContact O-CD2 3.08Å; K461-H463 PolarHBondContact O-N 3.35Å; K461-V511 HydrophobicContact CG-CG1 4.27Å | ||
| 462 | A | 89.7 | Confident | 90.9 | Very high | 17 Ų | 17 | 31.6 Ų | 31.6 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | trans | -80.7 | 60.4 | -177 | 0 | 0 | 0 | 0 | 0 | 111.3 | M460 D464 S465 Y468 | M460-A462 HydrophobicContact CB-CB 4.39Å; M460-A462 PolarHBondContact O-N 3.35Å; M460-A462 VanDerWaalsContact O-N 3.15Å; A462-D464 VanDerWaalsContact C-OD1 3.27Å; A462-D464 PolarHBondContact O-N 2.95Å; A462-S465 WeakPolarHBondContact O-CB 3.41Å; A462-S465 PolarHBondContact O-N 2.85Å; A462-Y468 VanDerWaalsContact C-CD1 3.49Å; A462-Y468 HydrophobicContact CB-CD1 4.49Å; A462-Y468 HydrophobicContact CB-CD2 4.17Å; A462-Y468 HydrophobicContact CB-CG 3.99Å; A462-Y468 VanDerWaalsContact O-CB 3.24Å; A462-Y468 WeakPolarHBondContact O-CB 3.32Å; A462-Y468 VanDerWaalsContact O-CD1 3.22Å; A462-Y468 WeakPolarHBondContact O-CD1 3.31Å | ||
| 463 | H | 86.9 | Confident | 90.9 | Very high | 93 Ų | 93 | 29.8 Ų | 29.8 | 43% | 0.431 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.3 | -176.4 | -67.9 | -65.2 | 0 | 0 | 0 | 114.1 | K461 S465 Y468 S469 V511 | K461-H463 PolarHBondContact O-CD2 3.08Å; K461-H463 PolarHBondContact O-N 3.35Å; H463-S465 VanDerWaalsContact C-N 3.35Å; H463-Y468 AromaticContact CE1-CE1 3.68Å; H463-Y468 AromaticContact ND1-CE1 3.74Å; H463-S469 PolarHBondContact O-OG 2.9Å; H463-V511 PolarHBondContact CE1-O 3.27Å |
| 464 | D | 83.4 | Confident | 90.9 | Very high | 98 Ų | 98 | 29.6 Ų | 29.6 | 52% | 0.524 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -26.4 | 170.3 | 52.9 | -15.8 | 0 | 0 | 0 | 112.6 | H10 A462 | H10-D464 PolarHBondContact CE1-O 3.16Å; H10-D464 PolarHBondContact ND1-O 2.64Å; A462-D464 VanDerWaalsContact C-OD1 3.27Å; A462-D464 PolarHBondContact O-N 2.95Å |
| 465 | S | 87.7 | Confident | 90.9 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | trans | -78.3 | 124.9 | 176.8 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | D40 A462 H463 H467 Y468 S469 | D40-S465 VanDerWaalsContact OD1-CB 3.3Å; D40-S465 WeakPolarHBondContact OD1-CB 3.34Å; D40-S465 PolarHBondContact OD1-OG 2.9Å; A462-S465 WeakPolarHBondContact O-CB 3.41Å; A462-S465 PolarHBondContact O-N 2.85Å; H463-S465 VanDerWaalsContact C-N 3.35Å; S465-H467 VanDerWaalsContact C-N 3.25Å; S465-H467 PolarHBondContact O-N 2.83Å; S465-Y468 PolarHBondContact O-N 3.4Å; S465-S469 WeakPolarHBondContact O-CB 3.49Å; S465-S469 PolarHBondContact O-N 2.89Å; S465-S469 PolarHBondContact O-OG 2.92Å; S465-S469 VanDerWaalsContact O-OG 3.13Å | ||
| 466 | C | 85.4 | Confident | 91.1 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 12% | 0.115 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.3 | -32.8 | 176.5 | -168.9 | 0 | 0 | 0 | 0 | 111.6 | A42 F43 P44 S469 Q470 | A42-C466 WeakPolarHBondContact O-CB 3.37Å; F43-C466 HydrophobicContact CB-CB 4.09Å; P44-C466 VanDerWaalsContact CD-SG 3.58Å; C466-S469 PolarHBondContact O-N 2.87Å; C466-Q470 WeakPolarHBondContact O-CB 3.49Å; C466-Q470 PolarHBondContact O-N 2.79Å |
| 467 | H | 86.5 | Confident | 91.1 | Very high | 26 Ų | 26 | 31 Ų | 31 | 12% | 0.12 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 176.3 | -69.5 | -51.4 | 0 | 0 | 0 | 112.8 | L37 I38 G39 S465 S469 Q470 V471 | L37-H467 VanDerWaalsContact C-CE1 3.4Å; L37-H467 PolarHBondContact O-CE1 3.32Å; L37-H467 PolarHBondContact O-NE2 3.25Å; I38-H467 WeakPolarHBondContact CA-NE2 3.17Å; I38-H467 PolarHBondContact N-NE2 3.15Å; G39-H467 PolarHBondContact N-NE2 3.01Å; G39-H467 PolarHBondContact O-CD2 2.81Å; G39-H467 PolarHBondContact O-NE2 2.9Å; S465-H467 VanDerWaalsContact C-N 3.25Å; S465-H467 PolarHBondContact O-N 2.83Å; H467-S469 VanDerWaalsContact C-N 3.35Å; H467-Q470 PolarHBondContact O-N 3.39Å; H467-V471 WeakPolarHBondContact O-CG2 3.2Å; H467-V471 PolarHBondContact O-N 3.18Å; H467-V471 VanDerWaalsContact O-N 3.09Å |
| 468 | Y | 90.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | 175.7 | 178.7 | -89.5 | 0 | 0 | 0 | 110.4 | Y457 L458 M460 A462 H463 S465 Q470 V471 V472 | Y457-Y468 HydrophobicContact CD1-CD2 4.14Å; Y457-Y468 HydrophobicContact CD1-CE2 4.25Å; Y457-Y468 AromaticContact CE1-CD2 3.56Å; Y457-Y468 HydrophobicContact CE1-CD2 3.56Å; Y457-Y468 HydrophobicContact CE1-CE2 4.12Å; Y457-Y468 HydrophobicContact CE1-CG 4.35Å; Y457-Y468 WeakPolarHBondContact O-CE2 3.2Å; Y457-Y468 WeakPolarHBondContact OH-CA 3.44Å; L458-Y468 HydrophobicContact CD2-CE2 4.49Å; L458-Y468 PolarHBondContact O-OH 2.96Å; M460-Y468 HydrophobicContact CB-CD2 4.35Å; M460-Y468 HydrophobicContact CB-CE2 4.14Å; A462-Y468 VanDerWaalsContact C-CD1 3.49Å; A462-Y468 HydrophobicContact CB-CD1 4.49Å; A462-Y468 HydrophobicContact CB-CD2 4.17Å; A462-Y468 HydrophobicContact CB-CG 3.99Å; A462-Y468 VanDerWaalsContact O-CB 3.24Å; A462-Y468 WeakPolarHBondContact O-CB 3.32Å; A462-Y468 VanDerWaalsContact O-CD1 3.22Å; A462-Y468 WeakPolarHBondContact O-CD1 3.31Å; H463-Y468 AromaticContact CE1-CE1 3.68Å; H463-Y468 AromaticContact ND1-CE1 3.74Å; S465-Y468 PolarHBondContact O-N 3.4Å; Y468-Q470 VanDerWaalsContact C-N 3.29Å; Y468-Q470 PolarHBondContact O-N 3.38Å; Y468-V471 PolarHBondContact O-N 2.74Å; Y468-V471 VanDerWaalsContact O-N 3.1Å; Y468-V472 HydrophobicContact CD1-CG2 3.93Å; Y468-V472 HydrophobicContact CE1-CG2 3.49Å; Y468-V472 VanDerWaalsContact CE1-CG2 3.49Å; Y468-V472 WeakPolarHBondContact O-CG2 3.43Å; Y468-V472 PolarHBondContact O-N 2.73Å |
| 469 | S | 89.9 | Confident | 91.2 | Very high | 47 Ų | 47 | 30.7 Ų | 30.7 | 33% | 0.329 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59 | -39.1 | 177 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | H463 S465 C466 H467 V472 A473 | H463-S469 PolarHBondContact O-OG 2.9Å; S465-S469 WeakPolarHBondContact O-CB 3.49Å; S465-S469 PolarHBondContact O-N 2.89Å; S465-S469 PolarHBondContact O-OG 2.92Å; S465-S469 VanDerWaalsContact O-OG 3.13Å; C466-S469 PolarHBondContact O-N 2.87Å; H467-S469 VanDerWaalsContact C-N 3.35Å; S469-V472 PolarHBondContact O-N 2.83Å; S469-A473 WeakPolarHBondContact O-CB 3.38Å; S469-A473 PolarHBondContact O-N 3.03Å |
| 470 | Q | 89.9 | Confident | 91.3 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 174.9 | -178.5 | 61.2 | 77.8 | 0 | 0 | 112.7 | S210 S211 V215 C466 H467 Y468 T474 | S210-Q470 VanDerWaalsContact CB-OE1 3.23Å; S211-Q470 VanDerWaalsContact O-CD 3.31Å; S211-Q470 PolarHBondContact O-NE2 2.86Å; V215-Q470 HydrophobicContact CG2-CG 3.93Å; C466-Q470 WeakPolarHBondContact O-CB 3.49Å; C466-Q470 PolarHBondContact O-N 2.79Å; H467-Q470 PolarHBondContact O-N 3.39Å; Y468-Q470 VanDerWaalsContact C-N 3.29Å; Y468-Q470 PolarHBondContact O-N 3.38Å; Q470-T474 PolarHBondContact NE2-OG1 3.42Å; Q470-T474 WeakPolarHBondContact O-CB 3.36Å; Q470-T474 PolarHBondContact O-N 3.23Å; Q470-T474 PolarHBondContact O-OG1 2.8Å |
| 471 | V | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.6 | -44.5 | 175.4 | 171 | 0 | 0 | 0 | 0 | 110.5 | F422 L426 Y457 H467 Y468 A473 T474 L475 | F422-V471 HydrophobicContact CE1-CG1 4.43Å; F422-V471 HydrophobicContact CZ-CG1 4.31Å; L426-V471 HydrophobicContact CD2-CG1 3.95Å; L426-V471 HydrophobicContact CD2-CG2 4.44Å; Y457-V471 HydrophobicContact CD1-CB 4.4Å; Y457-V471 HydrophobicContact CD1-CG1 3.8Å; Y457-V471 HydrophobicContact CE1-CB 3.68Å; Y457-V471 HydrophobicContact CE1-CG1 3.6Å; Y457-V471 HydrophobicContact CE1-CG2 3.92Å; H467-V471 WeakPolarHBondContact O-CG2 3.2Å; H467-V471 PolarHBondContact O-N 3.18Å; H467-V471 VanDerWaalsContact O-N 3.09Å; Y468-V471 PolarHBondContact O-N 2.74Å; Y468-V471 VanDerWaalsContact O-N 3.1Å; V471-A473 PolarHBondContact O-N 3.3Å; V471-T474 WeakPolarHBondContact O-CB 3.2Å; V471-T474 PolarHBondContact O-N 3.02Å; V471-L475 HydrophobicContact CG1-CD1 3.94Å; V471-L475 HydrophobicContact CG1-CG 4.39Å; V471-L475 WeakPolarHBondContact O-CG 3.36Å; V471-L475 PolarHBondContact O-N 3.26Å |
| 472 | V | 94.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.03 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 175.2 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | L458 Y468 S469 T474 L475 T476 V511 C512 | L458-V472 HydrophobicContact CD2-CG2 3.68Å; Y468-V472 HydrophobicContact CD1-CG2 3.93Å; Y468-V472 HydrophobicContact CE1-CG2 3.49Å; Y468-V472 VanDerWaalsContact CE1-CG2 3.49Å; Y468-V472 WeakPolarHBondContact O-CG2 3.43Å; Y468-V472 PolarHBondContact O-N 2.73Å; S469-V472 PolarHBondContact O-N 2.83Å; V472-T474 VanDerWaalsContact C-N 3.35Å; V472-T474 PolarHBondContact O-N 3.41Å; V472-L475 PolarHBondContact O-N 3.09Å; V472-T476 VanDerWaalsContact O-CB 3.32Å; V472-T476 WeakPolarHBondContact O-CB 3.44Å; V472-T476 PolarHBondContact O-N 3.33Å; V472-T476 PolarHBondContact O-OG1 2.99Å; V472-V511 HydrophobicContact CG2-CG2 4.31Å; V472-C512 HydrophobicContact CG1-CB 4.34Å |
| 473 | A | 92.5 | Very high | 91.8 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 20% | 0.198 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S469 V471 L475 T476 D477 | S469-A473 WeakPolarHBondContact O-CB 3.38Å; S469-A473 PolarHBondContact O-N 3.03Å; V471-A473 PolarHBondContact O-N 3.3Å; A473-L475 PolarHBondContact O-N 3.22Å; A473-T476 WeakPolarHBondContact O-CB 3.3Å; A473-T476 PolarHBondContact O-N 3.39Å; A473-D477 PolarHBondContact O-N 3Å |
| 474 | T | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 177.9 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | V215 L426 A430 Q470 V471 V472 T476 D477 I478 | V215-T474 HydrophobicContact CG2-CG2 4.34Å; V215-T474 WeakPolarHBondContact CG2-OG1 3.42Å; L426-T474 HydrophobicContact CD1-CG2 4.38Å; L426-T474 HydrophobicContact CG-CG2 4.4Å; A430-T474 HydrophobicContact CB-CG2 4.27Å; Q470-T474 PolarHBondContact NE2-OG1 3.42Å; Q470-T474 WeakPolarHBondContact O-CB 3.36Å; Q470-T474 PolarHBondContact O-N 3.23Å; Q470-T474 PolarHBondContact O-OG1 2.8Å; V471-T474 WeakPolarHBondContact O-CB 3.2Å; V471-T474 PolarHBondContact O-N 3.02Å; V472-T474 VanDerWaalsContact C-N 3.35Å; V472-T474 PolarHBondContact O-N 3.41Å; T474-T476 VanDerWaalsContact C-N 3.33Å; T474-D477 PolarHBondContact O-N 2.88Å; T474-I478 HydrophobicContact CG2-CD1 4Å; T474-I478 VanDerWaalsContact O-CG1 3.29Å; T474-I478 WeakPolarHBondContact O-CG1 3.33Å; T474-I478 PolarHBondContact O-N 3.11Å |
| 475 | L | 96.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.2 | -37.6 | 178.1 | -66.2 | 171.2 | 0 | 0 | 0 | 111.6 | L426 C454 L458 V471 V472 A473 I478 L479 I504 V508 | L426-L475 HydrophobicContact CD1-CD2 3.57Å; L426-L475 HydrophobicContact CD1-CG 4.4Å; C454-L475 HydrophobicContact CB-CD1 4.46Å; L458-L475 HydrophobicContact CD1-CD1 4Å; L458-L475 HydrophobicContact CD2-CD1 4.06Å; L458-L475 HydrophobicContact CG-CD1 4.3Å; V471-L475 HydrophobicContact CG1-CD1 3.94Å; V471-L475 HydrophobicContact CG1-CG 4.39Å; V471-L475 WeakPolarHBondContact O-CG 3.36Å; V471-L475 PolarHBondContact O-N 3.26Å; V472-L475 PolarHBondContact O-N 3.09Å; A473-L475 PolarHBondContact O-N 3.22Å; L475-I478 HydrophobicContact CD2-CD1 4.43Å; L475-I478 PolarHBondContact O-N 3.49Å; L475-L479 WeakPolarHBondContact O-CG 3.29Å; L475-L479 PolarHBondContact O-N 3.03Å; L475-I504 HydrophobicContact CD2-CD1 4.13Å; L475-I504 HydrophobicContact CD2-CG2 4.48Å; L475-V508 HydrophobicContact CB-CG2 3.63Å; L475-V508 HydrophobicContact CD1-CG2 4.1Å; L475-V508 HydrophobicContact CG-CG2 4.49Å |
| 476 | T | 95.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 26.4 Ų | 26.4 | 12% | 0.117 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 174.3 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | V472 A473 T474 L479 K480 V508 L518 | V472-T476 VanDerWaalsContact O-CB 3.32Å; V472-T476 WeakPolarHBondContact O-CB 3.44Å; V472-T476 PolarHBondContact O-N 3.33Å; V472-T476 PolarHBondContact O-OG1 2.99Å; A473-T476 WeakPolarHBondContact O-CB 3.3Å; A473-T476 PolarHBondContact O-N 3.39Å; T474-T476 VanDerWaalsContact C-N 3.33Å; T476-L479 PolarHBondContact O-N 2.93Å; T476-K480 HydrophobicContact CG2-CD 4.31Å; T476-K480 WeakPolarHBondContact O-CG 3.37Å; T476-K480 PolarHBondContact O-N 2.8Å; T476-V508 WeakPolarHBondContact OG1-CG1 3.2Å; T476-L518 HydrophobicContact CG2-CD1 4.24Å |
| 477 | D | 93.3 | Very high | 93.6 | Very high | 63 Ų | 63 | 26.9 Ų | 26.9 | 34% | 0.337 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 177.8 | -76 | -14.1 | 0 | 0 | 0 | 112.5 | A473 T474 L479 K480 K481 | A473-D477 PolarHBondContact O-N 3Å; T474-D477 PolarHBondContact O-N 2.88Å; D477-L479 VanDerWaalsContact C-N 3.29Å; D477-L479 PolarHBondContact O-N 3.48Å; D477-K480 PolarHBondContact O-N 3.34Å; D477-K481 WeakPolarHBondContact O-CB 3.49Å; D477-K481 WeakPolarHBondContact O-CG 3.34Å; D477-K481 PolarHBondContact O-N 3.42Å |
| 478 | I | 95.4 | Very high | 94 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.7 | -46.4 | 172.9 | -76.5 | 164.3 | 0 | 0 | 0 | 110.4 | L426 F429 A430 V433 T474 L475 K481 S482 L501 I504 | L426-I478 HydrophobicContact CD1-CD1 3.97Å; F429-I478 HydrophobicContact CD1-CD1 4.13Å; F429-I478 HydrophobicContact CD1-CG2 4.3Å; F429-I478 HydrophobicContact CE1-CG2 3.76Å; A430-I478 HydrophobicContact CB-CD1 3.99Å; A430-I478 HydrophobicContact CB-CG1 4.3Å; V433-I478 HydrophobicContact CG2-CG2 4.28Å; T474-I478 HydrophobicContact CG2-CD1 4Å; T474-I478 VanDerWaalsContact O-CG1 3.29Å; T474-I478 WeakPolarHBondContact O-CG1 3.33Å; T474-I478 PolarHBondContact O-N 3.11Å; L475-I478 HydrophobicContact CD2-CD1 4.43Å; L475-I478 PolarHBondContact O-N 3.49Å; I478-K481 PolarHBondContact O-N 2.93Å; I478-S482 VanDerWaalsContact O-CB 3.24Å; I478-S482 WeakPolarHBondContact O-CB 3.46Å; I478-S482 PolarHBondContact O-N 3.21Å; I478-S482 PolarHBondContact O-OG 3.48Å; I478-L501 HydrophobicContact CG2-CD2 3.97Å; I478-I504 HydrophobicContact CG2-CD1 4.15Å |
| 479 | L | 96 | Very high | 94 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.3 | -41.7 | 179.4 | -73.6 | 165.1 | 0 | 0 | 0 | 112.1 | L475 T476 D477 K481 G483 L501 I504 V508 L518 L522 | L475-L479 WeakPolarHBondContact O-CG 3.29Å; L475-L479 PolarHBondContact O-N 3.03Å; T476-L479 PolarHBondContact O-N 2.93Å; D477-L479 VanDerWaalsContact C-N 3.29Å; D477-L479 PolarHBondContact O-N 3.48Å; L479-K481 VanDerWaalsContact C-N 3.26Å; L479-K481 PolarHBondContact O-N 2.79Å; L479-G483 WeakPolarHBondContact O-CA 3.48Å; L479-G483 PolarHBondContact O-N 3.01Å; L479-L501 HydrophobicContact CD2-CD2 4.48Å; L479-I504 HydrophobicContact CD1-CG1 4.3Å; L479-I504 HydrophobicContact CD2-CD1 4.28Å; L479-I504 HydrophobicContact CD2-CG1 3.97Å; L479-I504 HydrophobicContact CG-CD1 4.28Å; L479-I504 HydrophobicContact CG-CG1 4.23Å; L479-V508 HydrophobicContact CD1-CB 3.77Å; L479-V508 HydrophobicContact CD1-CG1 4Å; L479-V508 HydrophobicContact CD1-CG2 3.91Å; L479-L518 HydrophobicContact CB-CD1 3.99Å; L479-L518 HydrophobicContact CD1-CD2 4.34Å; L479-L522 HydrophobicContact CB-CD2 4.4Å; L479-L522 HydrophobicContact CD1-CD2 4.21Å; L479-L522 HydrophobicContact CD2-CD2 3.92Å; L479-L522 HydrophobicContact CG-CD2 4.41Å |
| 480 | K | 94.8 | Very high | 94.2 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 32% | 0.322 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62 | -34.3 | 174.8 | -74.6 | -176.6 | 173.6 | -177.6 | 0 | 112.3 | T476 D477 L518 Y521 | T476-K480 HydrophobicContact CG2-CD 4.31Å; T476-K480 WeakPolarHBondContact O-CG 3.37Å; T476-K480 PolarHBondContact O-N 2.8Å; D477-K480 PolarHBondContact O-N 3.34Å; K480-L518 HydrophobicContact CG-CD1 4.05Å; K480-Y521 HydrophobicContact CB-CD1 4.27Å; K480-Y521 HydrophobicContact CB-CE1 4.22Å; K480-Y521 HydrophobicContact CB-CG 4.44Å; K480-Y521 HydrophobicContact CD-CE2 4.36Å; K480-Y521 HydrophobicContact CG-CD1 4.45Å; K480-Y521 HydrophobicContact CG-CD2 3.9Å; K480-Y521 HydrophobicContact CG-CE1 4.45Å; K480-Y521 HydrophobicContact CG-CE2 3.91Å; K480-Y521 HydrophobicContact CG-CG 4.17Å; K480-Y521 WeakPolarHBondContact O-CD1 3.19Å; K480-Y521 VanDerWaalsContact O-CE1 3.3Å; K480-Y521 WeakPolarHBondContact O-CE1 3.42Å |
| 481 | K | 94.3 | Very high | 94.5 | Very high | 123 Ų | 123 | 41.7 Ų | 41.7 | 54% | 0.535 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -83.4 | -38.1 | 179 | -73.1 | 178.9 | 178.4 | -176.1 | 0 | 114.1 | V433 T434 D477 I478 L479 | V433-K481 HydrophobicContact CG1-CB 3.9Å; T434-K481 HydrophobicContact CG2-CD 3.74Å; D477-K481 WeakPolarHBondContact O-CB 3.49Å; D477-K481 WeakPolarHBondContact O-CG 3.34Å; D477-K481 PolarHBondContact O-N 3.42Å; I478-K481 PolarHBondContact O-N 2.93Å; L479-K481 VanDerWaalsContact C-N 3.26Å; L479-K481 PolarHBondContact O-N 2.79Å |
| 482 | S | 93.7 | Very high | 94.7 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 26% | 0.259 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -93.1 | -28.6 | -175.9 | -54 | 0 | 0 | 0 | 0 | 113.3 | V433 I478 | V433-S482 WeakPolarHBondContact CG1-OG 2.84Å; V433-S482 WeakPolarHBondContact CG2-OG 3.43Å; I478-S482 VanDerWaalsContact O-CB 3.24Å; I478-S482 WeakPolarHBondContact O-CB 3.46Å; I478-S482 PolarHBondContact O-N 3.21Å; I478-S482 PolarHBondContact O-OG 3.48Å |
| 483 | G | 94.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | trans | 68 | 173.8 | -158.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L479 Y521 | L479-G483 WeakPolarHBondContact O-CA 3.48Å; L479-G483 PolarHBondContact O-N 3.01Å; G483-Y521 WeakPolarHBondContact CA-O 3.09Å | ||
| 484 | M | 95.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | trans | -97.5 | 142.4 | 166.8 | -169.5 | 174.2 | 64.5 | 0 | 0 | 110 | Q486 L502 Y521 L522 I523 L613 W614 | M484-Q486 PolarHBondContact O-N 2.81Å; M484-Q486 PolarHBondContact O-NE2 2.91Å; M484-L502 HydrophobicContact CG-CD1 4.2Å; M484-L502 HydrophobicContact SD-CD1 4.04Å; M484-Y521 PolarHBondContact N-O 2.83Å; M484-Y521 VanDerWaalsContact N-O 3.12Å; M484-L522 HydrophobicContact CB-CD2 3.96Å; M484-L522 HydrophobicContact CE-CB 3.92Å; M484-L522 WeakPolarHBondContact CE-O 3.45Å; M484-L522 HydrophobicContact SD-CD2 4.31Å; M484-I523 HydrophobicContact CE-CD1 4.01Å; M484-L613 HydrophobicContact CE-CD2 4.28Å; M484-W614 HydrophobicContact CE-CH2 3.32Å; M484-W614 HydrophobicContact CE-CZ2 4.32Å; M484-W614 HydrophobicContact CE-CZ3 3.64Å; M484-W614 HydrophobicContact SD-CH2 3.79Å; M484-W614 HydrophobicContact SD-CZ2 4.44Å | ||
| 485 | P | 95.2 | Very high | 94.8 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | trans | -58.8 | 132.4 | 173.1 | 24.7 | -35.4 | 0 | 0 | 0 | 111 | V487 V493 D498 L501 L502 | P485-V487 VanDerWaalsContact C-N 3.27Å; P485-V487 PolarHBondContact O-N 3Å; P485-V493 HydrophobicContact CB-CG2 3.78Å; P485-V493 HydrophobicContact CG-CG2 3.83Å; P485-D498 HydrophobicContact CB-CB 4.31Å; P485-D498 HydrophobicContact CG-CB 4.11Å; P485-D498 WeakPolarHBondContact CG-O 3.33Å; P485-L501 HydrophobicContact CG-CB 4.49Å; P485-L502 HydrophobicContact CG-CB 3.98Å; P485-L502 HydrophobicContact CG-CD1 4.49Å | ||
| 486 | Q | 94.8 | Very high | 94.6 | Very high | 66 Ų | 66 | 52.3 Ų | 52.3 | 31% | 0.308 | 28% | 0.275 | S | S | . | . | trans | -81.2 | 77.8 | 177.2 | -56.4 | -56.5 | -76 | 0 | 0 | 109.2 | M484 L522 R524 | M484-Q486 PolarHBondContact O-N 2.81Å; M484-Q486 PolarHBondContact O-NE2 2.91Å; Q486-L522 PolarHBondContact NE2-O 3.44Å; Q486-R524 HydrophobicContact CG-CG 4.35Å; Q486-R524 VanDerWaalsContact OE1-N 3.1Å | ||
| 487 | V | 95.4 | Very high | 94.6 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 16% | 0.158 | 28% | 0.283 | C | S | . | . | trans | -68.3 | 133.3 | -173.2 | 65.8 | 0 | 0 | 0 | 0 | 111.8 | P485 V493 L502 L591 K592 | P485-V487 VanDerWaalsContact C-N 3.27Å; P485-V487 PolarHBondContact O-N 3Å; V487-V493 HydrophobicContact CB-CG2 4.01Å; V487-V493 HydrophobicContact CG2-CB 4.39Å; V487-V493 HydrophobicContact CG2-CG2 3.94Å; V487-L502 HydrophobicContact CB-CD1 4.36Å; V487-L502 HydrophobicContact CB-CD2 4.37Å; V487-L502 HydrophobicContact CG1-CD1 3.75Å; V487-L502 HydrophobicContact CG1-CD2 4.21Å; V487-L502 HydrophobicContact CG2-CD2 4.46Å; V487-L591 WeakPolarHBondContact CG2-O 2.95Å; V487-K592 VanDerWaalsContact CG2-C 3.48Å | ||
| 488 | S | 94.1 | Very high | 94.6 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 33% | 0.329 | 28% | 0.281 | S | S | . | . | trans | -157.1 | 176.7 | 173.8 | 69.2 | 0 | 0 | 0 | 0 | 111.3 | K490 C491 K592 | S488-K490 PolarHBondContact O-N 3.21Å; S488-K490 PolarHBondContact OG-N 3.04Å; S488-C491 PolarHBondContact N-O 3.3Å; S488-C491 VanDerWaalsContact N-O 3.13Å; S488-C491 CarbonylContact O-C 3.5Å; S488-C491 PolarHBondContact O-N 2.7Å; S488-C491 VanDerWaalsContact O-N 3.15Å; S488-C491 PolarHBondContact OG-N 3.32Å; S488-C491 VanDerWaalsContact OG-N 3.15Å; S488-K592 CarbonylContact C-O 3.58Å; S488-K592 VanDerWaalsContact CA-O 3.23Å; S488-K592 WeakPolarHBondContact CA-O 3.47Å | ||
| 489 | E | 92.2 | Very high | 94.6 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 38% | 0.383 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -52.3 | -38.6 | 172.1 | -160.2 | 175.9 | 176.9 | 0 | 0 | 112.9 | K592 V721 R738 | E489-K592 HydrophobicContact CG-CD 4.42Å; E489-V721 HydrophobicContact CB-CG2 3.48Å; E489-V721 VanDerWaalsContact CB-CG2 3.48Å; E489-V721 HydrophobicContact CG-CG2 3.72Å; E489-R738 IonicContact OE2-NH1 3.56Å; E489-R738 PolarHBondContact OE2-NH1 3.08Å |
| 490 | K | 94.6 | Very high | 94.6 | Very high | 193 Ų | 193 | 55.4 Ų | 55.4 | 84% | 0.839 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -87.8 | -21.3 | -177.3 | -63 | -178.6 | -178.6 | 178.1 | 0 | 112.8 | S488 P492 | S488-K490 PolarHBondContact O-N 3.21Å; S488-K490 PolarHBondContact OG-N 3.04Å; K490-P492 VanDerWaalsContact C-CD 3.45Å |
| 491 | C | 95.4 | Very high | 94.6 | Very high | 77 Ų | 77 | 52.2 Ų | 52.2 | 52% | 0.52 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -128 | 69.3 | -179.1 | -58.6 | 0 | 0 | 0 | 0 | 110 | S488 | S488-C491 PolarHBondContact N-O 3.3Å; S488-C491 VanDerWaalsContact N-O 3.13Å; S488-C491 CarbonylContact O-C 3.5Å; S488-C491 PolarHBondContact O-N 2.7Å; S488-C491 VanDerWaalsContact O-N 3.15Å; S488-C491 PolarHBondContact OG-N 3.32Å; S488-C491 VanDerWaalsContact OG-N 3.15Å |
| 492 | P | 97 | Very high | 94.7 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 23% | 0.234 | 25% | 0.248 | C | C | . | . | trans | -71.8 | 145.9 | 179.4 | 29 | -35.5 | 0 | 0 | 0 | 112.2 | K490 E590 L591 K592 | K490-P492 VanDerWaalsContact C-CD 3.45Å; P492-E590 HydrophobicContact CB-CG 3.57Å; P492-E590 HydrophobicContact CG-CG 4.21Å; P492-L591 CarbonylContact C-O 3.6Å; P492-L591 WeakPolarHBondContact CA-O 3.38Å; P492-K592 HydrophobicContact CB-CG 4.14Å | ||
| 493 | V | 96.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -81.8 | 126.7 | 172.6 | 163 | 0 | 0 | 0 | 0 | 110 | P485 V487 D498 H499 L502 E590 L591 | P485-V493 HydrophobicContact CB-CG2 3.78Å; P485-V493 HydrophobicContact CG-CG2 3.83Å; V487-V493 HydrophobicContact CB-CG2 4.01Å; V487-V493 HydrophobicContact CG2-CB 4.39Å; V487-V493 HydrophobicContact CG2-CG2 3.94Å; V493-D498 HydrophobicContact CB-CB 4.36Å; V493-D498 HydrophobicContact CG1-CB 3.65Å; V493-D498 HydrophobicContact CG2-CB 4.11Å; V493-H499 HydrophobicContact CG1-CB 4.35Å; V493-L502 HydrophobicContact CB-CD2 4.44Å; V493-L502 HydrophobicContact CG2-CD2 4.2Å; V493-E590 WeakPolarHBondContact O-CA 3.5Å; V493-L591 HydrophobicContact CB-CB 4.24Å; V493-L591 PolarHBondContact N-O 2.86Å; V493-L591 PolarHBondContact O-N 2.81Å |
| 494 | K | 94.5 | Very high | 94.7 | Very high | 127 Ų | 127 | 47 Ų | 47 | 55% | 0.552 | 25% | 0.246 | S | C | * | . | trans | -130.6 | -37.8 | -174.9 | -66.4 | 177.4 | 173.3 | -171.3 | 0 | 113.1 | E590 | K494-E590 WeakPolarHBondContact CE-OE2 3.26Å; K494-E590 HydrophobicContact CG-CG 4.06Å; K494-E590 IonicContact NZ-OE2 3.43Å; K494-E590 PolarHBondContact NZ-OE2 3.46Å | ||
| 495 | S | 93.3 | Very high | 94.7 | Very high | 40 Ų | 40 | 46.8 Ų | 46.8 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -76.1 | 146 | -175 | 79.4 | 0 | 0 | 0 | 0 | 111.2 | K497 D498 H499 | S495-K497 PolarHBondContact O-N 2.91Å; S495-D498 PolarHBondContact O-N 2.86Å; S495-D498 VanDerWaalsContact O-N 3.11Å; S495-D498 WeakPolarHBondContact OG-CB 3.17Å; S495-D498 PolarHBondContact OG-N 2.93Å; S495-D498 PolarHBondContact OG-OD2 2.86Å; S495-H499 PolarHBondContact O-CD2 2.52Å; S495-H499 VanDerWaalsContact O-CD2 3.28Å; S495-H499 PolarHBondContact O-N 2.7Å |
| 496 | P | 92.9 | Very high | 94.7 | Very high | 47 Ų | 47 | 46.2 Ų | 46.2 | 31% | 0.305 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -54.1 | -36.5 | 174.9 | -27 | 35 | 0 | 0 | 0 | 113.1 | E444 L447 K448 H499 L500 | E444-P496 WeakPolarHBondContact O-CB 3.37Å; L447-P496 HydrophobicContact CB-CB 3.94Å; L447-P496 HydrophobicContact CD1-CB 4.25Å; K448-P496 HydrophobicContact CG-CB 4.46Å; P496-H499 PolarHBondContact O-N 2.99Å; P496-L500 WeakPolarHBondContact O-CB 3.49Å; P496-L500 PolarHBondContact O-N 3.36Å |
| 497 | K | 94.3 | Very high | 94.7 | Very high | 66 Ų | 66 | 44.3 Ų | 44.3 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.1 | -48 | 175 | 175.1 | 177.4 | 176.9 | 174.7 | 0 | 112.7 | F429 H432 L447 S495 H499 L500 L501 | F429-K497 HydrophobicContact CE2-CG 4.07Å; F429-K497 HydrophobicContact CZ-CG 4.19Å; H432-K497 PolarHBondContact NE2-NZ 3.03Å; L447-K497 HydrophobicContact CD1-CB 4.19Å; S495-K497 PolarHBondContact O-N 2.91Å; K497-H499 VanDerWaalsContact C-N 3.33Å; K497-L500 WeakPolarHBondContact O-CB 3.2Å; K497-L500 PolarHBondContact O-N 2.76Å; K497-L501 HydrophobicContact CG-CD1 4.09Å; K497-L501 WeakPolarHBondContact O-CG 3.37Å; K497-L501 PolarHBondContact O-N 3.22Å |
| 498 | D | 94.3 | Very high | 94.7 | Very high | 55 Ų | 55 | 43 Ų | 43 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.4 | -35.7 | -179.2 | -64.9 | -35.9 | 0 | 0 | 0 | 111.1 | P485 V493 S495 L500 L501 L502 | P485-D498 HydrophobicContact CB-CB 4.31Å; P485-D498 HydrophobicContact CG-CB 4.11Å; P485-D498 WeakPolarHBondContact CG-O 3.33Å; V493-D498 HydrophobicContact CB-CB 4.36Å; V493-D498 HydrophobicContact CG1-CB 3.65Å; V493-D498 HydrophobicContact CG2-CB 4.11Å; S495-D498 PolarHBondContact O-N 2.86Å; S495-D498 VanDerWaalsContact O-N 3.11Å; S495-D498 WeakPolarHBondContact OG-CB 3.17Å; S495-D498 PolarHBondContact OG-N 2.93Å; S495-D498 PolarHBondContact OG-OD2 2.86Å; D498-L500 VanDerWaalsContact C-N 3.35Å; D498-L501 PolarHBondContact O-N 2.85Å; D498-L502 VanDerWaalsContact O-CB 3.23Å; D498-L502 WeakPolarHBondContact O-CB 3.48Å; D498-L502 PolarHBondContact O-N 3.1Å |
| 499 | H | 94.5 | Very high | 94.7 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 13% | 0.125 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.2 | -47.3 | 170.7 | -88.8 | -85.8 | 0 | 0 | 0 | 111.6 | V493 S495 P496 K497 N503 A588 A589 L591 | V493-H499 HydrophobicContact CG1-CB 4.35Å; S495-H499 PolarHBondContact O-CD2 2.52Å; S495-H499 VanDerWaalsContact O-CD2 3.28Å; S495-H499 PolarHBondContact O-N 2.7Å; P496-H499 PolarHBondContact O-N 2.99Å; K497-H499 VanDerWaalsContact C-N 3.33Å; H499-N503 WeakPolarHBondContact O-CB 3.31Å; H499-N503 PolarHBondContact O-N 3.26Å; H499-N503 VanDerWaalsContact O-N 3.07Å; H499-A588 PolarHBondContact CE1-O 3.18Å; H499-A588 VanDerWaalsContact CE1-O 3.3Å; H499-A589 PolarHBondContact NE2-O 3.24Å; H499-L591 VanDerWaalsContact CE1-CD1 3.43Å; H499-L591 WeakPolarHBondContact CE1-CD1 3.33Å; H499-L591 WeakPolarHBondContact ND1-CD1 3.35Å |
| 500 | L | 95.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -53.1 | 175.7 | 171.4 | 62.7 | 0 | 0 | 0 | 111.2 | F429 L447 L450 P496 K497 D498 L502 N503 I504 | F429-L500 HydrophobicContact CD1-CD2 3.7Å; F429-L500 HydrophobicContact CD2-CD2 3.93Å; F429-L500 HydrophobicContact CE1-CD2 3.49Å; F429-L500 VanDerWaalsContact CE1-CD2 3.49Å; F429-L500 HydrophobicContact CE1-CG 4.21Å; F429-L500 HydrophobicContact CE2-CD2 3.76Å; F429-L500 HydrophobicContact CG-CD2 3.92Å; F429-L500 HydrophobicContact CZ-CD2 3.54Å; F429-L500 HydrophobicContact CZ-CG 4.31Å; L447-L500 HydrophobicContact CB-CB 4.42Å; L447-L500 HydrophobicContact CB-CD2 4.18Å; L447-L500 HydrophobicContact CD2-CD2 3.83Å; L447-L500 HydrophobicContact CG-CD2 4.46Å; L450-L500 HydrophobicContact CB-CD1 4.22Å; L450-L500 HydrophobicContact CD2-CD1 4.32Å; L450-L500 HydrophobicContact CD2-CD2 3.9Å; L450-L500 HydrophobicContact CG-CD1 4.06Å; L450-L500 HydrophobicContact CG-CD2 4.49Å; P496-L500 WeakPolarHBondContact O-CB 3.49Å; P496-L500 PolarHBondContact O-N 3.36Å; K497-L500 WeakPolarHBondContact O-CB 3.2Å; K497-L500 PolarHBondContact O-N 2.76Å; D498-L500 VanDerWaalsContact C-N 3.35Å; L500-L502 VanDerWaalsContact C-N 3.33Å; L500-L502 PolarHBondContact O-N 3.02Å; L500-N503 PolarHBondContact O-N 3.21Å; L500-I504 HydrophobicContact CD1-CG2 3.68Å; L500-I504 WeakPolarHBondContact O-CG1 3.39Å; L500-I504 WeakPolarHBondContact O-CG2 3.41Å; L500-I504 PolarHBondContact O-N 3.17Å |
| 501 | L | 96.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | -178.3 | -70.2 | 175.1 | 0 | 0 | 0 | 112.5 | F429 I478 L479 P485 K497 D498 I504 G505 | F429-L501 HydrophobicContact CE1-CD2 4.09Å; F429-L501 HydrophobicContact CZ-CD2 4.04Å; F429-L501 HydrophobicContact CZ-CG 4.29Å; I478-L501 HydrophobicContact CG2-CD2 3.97Å; L479-L501 HydrophobicContact CD2-CD2 4.48Å; P485-L501 HydrophobicContact CG-CB 4.49Å; K497-L501 HydrophobicContact CG-CD1 4.09Å; K497-L501 WeakPolarHBondContact O-CG 3.37Å; K497-L501 PolarHBondContact O-N 3.22Å; D498-L501 PolarHBondContact O-N 2.85Å; L501-I504 HydrophobicContact CD2-CD1 4.11Å; L501-G505 PolarHBondContact O-N 3.14Å |
| 502 | L | 95.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -43 | 177 | -174.4 | 63.4 | 0 | 0 | 0 | 112 | M484 P485 V487 V493 D498 L500 A506 L591 A594 W614 | M484-L502 HydrophobicContact CG-CD1 4.2Å; M484-L502 HydrophobicContact SD-CD1 4.04Å; P485-L502 HydrophobicContact CG-CB 3.98Å; P485-L502 HydrophobicContact CG-CD1 4.49Å; V487-L502 HydrophobicContact CB-CD1 4.36Å; V487-L502 HydrophobicContact CB-CD2 4.37Å; V487-L502 HydrophobicContact CG1-CD1 3.75Å; V487-L502 HydrophobicContact CG1-CD2 4.21Å; V487-L502 HydrophobicContact CG2-CD2 4.46Å; V493-L502 HydrophobicContact CB-CD2 4.44Å; V493-L502 HydrophobicContact CG2-CD2 4.2Å; D498-L502 VanDerWaalsContact O-CB 3.23Å; D498-L502 WeakPolarHBondContact O-CB 3.48Å; D498-L502 PolarHBondContact O-N 3.1Å; L500-L502 VanDerWaalsContact C-N 3.33Å; L500-L502 PolarHBondContact O-N 3.02Å; L502-A506 PolarHBondContact O-N 3.12Å; L502-L591 HydrophobicContact CD2-CD1 4.12Å; L502-A594 HydrophobicContact CD1-CB 4.28Å; L502-A594 HydrophobicContact CD2-CB 4.49Å; L502-A594 HydrophobicContact CG-CB 4.38Å; L502-W614 HydrophobicContact CD1-CH2 3.67Å; L502-W614 HydrophobicContact CD1-CZ2 4.3Å |
| 503 | N | 93.7 | Very high | 93.9 | Very high | 53 Ų | 53 | 35.8 Ų | 35.8 | 28% | 0.283 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.1 | -54.2 | 178.9 | -172.3 | -28.2 | 0 | 0 | 0 | 111.1 | H499 L500 G505 A506 E507 | H499-N503 WeakPolarHBondContact O-CB 3.31Å; H499-N503 PolarHBondContact O-N 3.26Å; H499-N503 VanDerWaalsContact O-N 3.07Å; L500-N503 PolarHBondContact O-N 3.21Å; N503-G505 VanDerWaalsContact C-N 3.27Å; N503-G505 PolarHBondContact O-N 2.83Å; N503-A506 PolarHBondContact O-N 3.29Å; N503-E507 PolarHBondContact O-N 3.09Å |
| 504 | I | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.7 | -32.7 | -178.5 | 71.6 | 179.9 | 0 | 0 | 0 | 111.9 | C454 L475 I478 L479 L500 L501 A506 E507 V508 | C454-I504 HydrophobicContact CB-CG2 3.71Å; L475-I504 HydrophobicContact CD2-CD1 4.13Å; L475-I504 HydrophobicContact CD2-CG2 4.48Å; I478-I504 HydrophobicContact CG2-CD1 4.15Å; L479-I504 HydrophobicContact CD1-CG1 4.3Å; L479-I504 HydrophobicContact CD2-CD1 4.28Å; L479-I504 HydrophobicContact CD2-CG1 3.97Å; L479-I504 HydrophobicContact CG-CD1 4.28Å; L479-I504 HydrophobicContact CG-CG1 4.23Å; L500-I504 HydrophobicContact CD1-CG2 3.68Å; L500-I504 WeakPolarHBondContact O-CG1 3.39Å; L500-I504 WeakPolarHBondContact O-CG2 3.41Å; L500-I504 PolarHBondContact O-N 3.17Å; L501-I504 HydrophobicContact CD2-CD1 4.11Å; I504-A506 VanDerWaalsContact C-N 3.32Å; I504-A506 PolarHBondContact O-N 3.2Å; I504-E507 PolarHBondContact O-N 2.95Å; I504-V508 HydrophobicContact CB-CG2 4.49Å; I504-V508 VanDerWaalsContact O-CB 3.25Å; I504-V508 WeakPolarHBondContact O-CB 3.27Å; I504-V508 WeakPolarHBondContact O-CG2 3.39Å; I504-V508 PolarHBondContact O-N 2.68Å |
| 505 | G | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L501 N503 Y509 | L501-G505 PolarHBondContact O-N 3.14Å; N503-G505 VanDerWaalsContact C-N 3.27Å; N503-G505 PolarHBondContact O-N 2.83Å; G505-Y509 WeakPolarHBondContact O-CB 3.47Å; G505-Y509 PolarHBondContact O-N 2.88Å |
| 506 | A | 93.4 | Very high | 93.4 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 10% | 0.099 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L502 N503 I504 K510 L613 W614 | L502-A506 PolarHBondContact O-N 3.12Å; N503-A506 PolarHBondContact O-N 3.29Å; I504-A506 VanDerWaalsContact C-N 3.32Å; I504-A506 PolarHBondContact O-N 3.2Å; A506-K510 WeakPolarHBondContact O-CG 3.32Å; A506-L613 HydrophobicContact CB-CD2 4.36Å; A506-W614 HydrophobicContact CB-CZ2 4.04Å |
| 507 | E | 94.7 | Very high | 93.4 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 12% | 0.121 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -80.1 | -40.5 | -175.1 | -61 | -53.8 | 141.8 | 0 | 0 | 112.9 | L458 N503 I504 Y509 K510 | L458-E507 HydrophobicContact CD1-CB 3.77Å; N503-E507 PolarHBondContact O-N 3.09Å; I504-E507 PolarHBondContact O-N 2.95Å; E507-Y509 VanDerWaalsContact C-N 3.29Å; E507-Y509 PolarHBondContact O-N 2.87Å; E507-K510 WeakPolarHBondContact O-CB 3.48Å; E507-K510 PolarHBondContact O-N 2.87Å; E507-K510 VanDerWaalsContact O-N 3.11Å; E507-K510 IonicContact OE1-NZ 2.78Å; E507-K510 PolarHBondContact OE1-NZ 3.44Å; E507-K510 IonicContact OE2-NZ 3.86Å; E507-K510 PolarHBondContact OE2-NZ 3.33Å |
| 508 | V | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -39 | 175.9 | 175 | 0 | 0 | 0 | 0 | 110.5 | L458 L475 T476 L479 I504 K510 V511 C512 L518 | L458-V508 HydrophobicContact CD1-CG2 3.82Å; L475-V508 HydrophobicContact CB-CG2 3.63Å; L475-V508 HydrophobicContact CD1-CG2 4.1Å; L475-V508 HydrophobicContact CG-CG2 4.49Å; T476-V508 WeakPolarHBondContact OG1-CG1 3.2Å; L479-V508 HydrophobicContact CD1-CB 3.77Å; L479-V508 HydrophobicContact CD1-CG1 4Å; L479-V508 HydrophobicContact CD1-CG2 3.91Å; I504-V508 HydrophobicContact CB-CG2 4.49Å; I504-V508 VanDerWaalsContact O-CB 3.25Å; I504-V508 WeakPolarHBondContact O-CB 3.27Å; I504-V508 WeakPolarHBondContact O-CG2 3.39Å; I504-V508 PolarHBondContact O-N 2.68Å; V508-K510 PolarHBondContact O-N 3.05Å; V508-K510 VanDerWaalsContact O-N 3.12Å; V508-V511 PolarHBondContact O-N 3.02Å; V508-V511 VanDerWaalsContact O-N 3.07Å; V508-C512 HydrophobicContact CG1-CB 3.93Å; V508-C512 VanDerWaalsContact O-CB 3.29Å; V508-C512 WeakPolarHBondContact O-CB 3.43Å; V508-C512 PolarHBondContact O-N 2.64Å; V508-C512 PolarHBondContact O-SG 2.81Å; V508-L518 HydrophobicContact CB-CD2 4.39Å; V508-L518 HydrophobicContact CG1-CD2 3.65Å |
| 509 | Y | 94.9 | Very high | 93.6 | Very high | 14 Ų | 14 | 33.4 Ų | 33.4 | 6% | 0.055 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.6 | -31.2 | 176.1 | -174.5 | -100.1 | 0 | 0 | 0 | 113.1 | G505 E507 P515 L519 L522 G559 L613 | G505-Y509 WeakPolarHBondContact O-CB 3.47Å; G505-Y509 PolarHBondContact O-N 2.88Å; E507-Y509 VanDerWaalsContact C-N 3.29Å; E507-Y509 PolarHBondContact O-N 2.87Å; Y509-P515 HydrophobicContact CD2-CB 3.84Å; Y509-P515 HydrophobicContact CE2-CB 3.64Å; Y509-P515 WeakPolarHBondContact CE2-O 3.46Å; Y509-P515 HydrophobicContact CG-CB 4.44Å; Y509-P515 WeakPolarHBondContact O-CB 3.31Å; Y509-L519 HydrophobicContact CE2-CB 4.2Å; Y509-L519 HydrophobicContact CE2-CD1 3.97Å; Y509-L522 HydrophobicContact CD2-CD1 3.79Å; Y509-L522 HydrophobicContact CG-CD1 4.17Å; Y509-G559 WeakPolarHBondContact OH-CA 3.34Å; Y509-G559 PolarHBondContact OH-O 2.85Å; Y509-L613 HydrophobicContact CD1-CB 3.69Å; Y509-L613 HydrophobicContact CD1-CD1 4.16Å; Y509-L613 HydrophobicContact CD1-CG 4.4Å; Y509-L613 HydrophobicContact CD2-CD1 3.89Å; Y509-L613 HydrophobicContact CE1-CB 4.06Å; Y509-L613 HydrophobicContact CE1-CD1 4.41Å; Y509-L613 HydrophobicContact CE2-CD1 4.13Å; Y509-L613 HydrophobicContact CG-CB 4.15Å; Y509-L613 HydrophobicContact CG-CD1 3.89Å; Y509-L613 HydrophobicContact CG-CD2 4.46Å; Y509-L613 HydrophobicContact CG-CG 4.39Å |
| 510 | K | 92.1 | Very high | 93.6 | Very high | 125 Ų | 125 | 36 Ų | 36 | 54% | 0.543 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -77.4 | -23.4 | -179.4 | -61 | 172 | -164.9 | 166.2 | 0 | 113.8 | A506 E507 V508 | A506-K510 WeakPolarHBondContact O-CG 3.32Å; E507-K510 WeakPolarHBondContact O-CB 3.48Å; E507-K510 PolarHBondContact O-N 2.87Å; E507-K510 VanDerWaalsContact O-N 3.11Å; E507-K510 IonicContact OE1-NZ 2.78Å; E507-K510 PolarHBondContact OE1-NZ 3.44Å; E507-K510 IonicContact OE2-NZ 3.86Å; E507-K510 PolarHBondContact OE2-NZ 3.33Å; V508-K510 PolarHBondContact O-N 3.05Å; V508-K510 VanDerWaalsContact O-N 3.12Å |
| 511 | V | 92.6 | Very high | 93.6 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -123.4 | -15.9 | -169.8 | -56.7 | 0 | 0 | 0 | 0 | 113.7 | L458 K461 H463 V472 V508 | L458-V511 HydrophobicContact CB-CG2 4.26Å; L458-V511 HydrophobicContact CD1-CG2 4.48Å; L458-V511 HydrophobicContact CD2-CG2 3.86Å; L458-V511 HydrophobicContact CG-CG2 4.41Å; K461-V511 HydrophobicContact CG-CG1 4.27Å; H463-V511 PolarHBondContact CE1-O 3.27Å; V472-V511 HydrophobicContact CG2-CG2 4.31Å; V508-V511 PolarHBondContact O-N 3.02Å; V508-V511 VanDerWaalsContact O-N 3.07Å |
| 512 | C | 90.6 | Very high | 93.6 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -63.9 | 143.9 | 179.4 | 67.1 | 0 | 0 | 0 | 0 | 110.8 | V472 V508 N514 P515 | V472-C512 HydrophobicContact CG1-CB 4.34Å; V508-C512 HydrophobicContact CG1-CB 3.93Å; V508-C512 VanDerWaalsContact O-CB 3.29Å; V508-C512 WeakPolarHBondContact O-CB 3.43Å; V508-C512 PolarHBondContact O-N 2.64Å; V508-C512 PolarHBondContact O-SG 2.81Å; C512-N514 VanDerWaalsContact C-N 3.26Å; C512-N514 PolarHBondContact O-N 2.95Å; C512-P515 WeakPolarHBondContact SG-CA 3.31Å |
| 513 | P | 86.1 | Confident | 93.6 | Very high | 122 Ų | 122 | 41.2 Ų | 41.2 | 79% | 0.792 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -61.6 | -32.8 | -176.7 | -25.9 | 34.8 | 0 | 0 | 0 | 114 | ||
| 514 | N | 89.1 | Confident | 93.4 | Very high | 70 Ų | 70 | 46.3 Ų | 46.3 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | trans | -127.6 | 84.7 | 177.3 | -166.5 | -8.9 | 0 | 0 | 0 | 111.1 | C512 D516 D517 | C512-N514 VanDerWaalsContact C-N 3.26Å; C512-N514 PolarHBondContact O-N 2.95Å; N514-D516 VanDerWaalsContact C-N 3.27Å; N514-D516 PolarHBondContact O-N 2.92Å; N514-D516 PolarHBondContact OD1-N 3.25Å; N514-D517 HydrophobicContact CB-CB 4.32Å; N514-D517 VanDerWaalsContact CG-CG 3.41Å; N514-D517 PolarHBondContact ND2-OD1 3.47Å; N514-D517 PolarHBondContact ND2-OD2 2.89Å; N514-D517 PolarHBondContact O-N 2.89Å; N514-D517 PolarHBondContact OD1-N 3.44Å | ||
| 515 | P | 92.6 | Very high | 93.1 | Very high | 23 Ų | 23 | 53 Ų | 53 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.5 | -25.5 | -179.9 | 26.7 | -33.7 | 0 | 0 | 0 | 113.4 | Y509 C512 L518 L519 | Y509-P515 HydrophobicContact CD2-CB 3.84Å; Y509-P515 HydrophobicContact CE2-CB 3.64Å; Y509-P515 WeakPolarHBondContact CE2-O 3.46Å; Y509-P515 HydrophobicContact CG-CB 4.44Å; Y509-P515 WeakPolarHBondContact O-CB 3.31Å; C512-P515 WeakPolarHBondContact SG-CA 3.31Å; P515-L518 PolarHBondContact O-N 2.86Å; P515-L518 VanDerWaalsContact O-N 3.17Å; P515-L519 PolarHBondContact O-N 3.27Å |
| 516 | D | 92.4 | Very high | 92.8 | Very high | 80 Ų | 80 | 55.7 Ų | 55.7 | 43% | 0.428 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.4 | -35.8 | -178.9 | -60.9 | -26.5 | 0 | 0 | 0 | 110.8 | N514 L518 L519 P520 K561 | N514-D516 VanDerWaalsContact C-N 3.27Å; N514-D516 PolarHBondContact O-N 2.92Å; N514-D516 PolarHBondContact OD1-N 3.25Å; D516-L518 VanDerWaalsContact C-N 3.26Å; D516-L518 PolarHBondContact O-N 3.3Å; D516-L519 PolarHBondContact O-N 3.04Å; D516-P520 WeakPolarHBondContact O-CD 3.05Å; D516-K561 WeakPolarHBondContact OD1-CE 3.02Å; D516-K561 IonicContact OD1-NZ 2.66Å; D516-K561 PolarHBondContact OD1-NZ 3.45Å; D516-K561 IonicContact OD2-NZ 3.04Å; D516-K561 PolarHBondContact OD2-NZ 3.49Å |
| 517 | D | 93.6 | Very high | 92.6 | Very high | 89 Ų | 89 | 59.1 Ų | 59.1 | 48% | 0.476 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.7 | -26.8 | 172.1 | -75.3 | 4.2 | 0 | 0 | 0 | 113 | N514 Y521 | N514-D517 HydrophobicContact CB-CB 4.32Å; N514-D517 VanDerWaalsContact CG-CG 3.41Å; N514-D517 PolarHBondContact ND2-OD1 3.47Å; N514-D517 PolarHBondContact ND2-OD2 2.89Å; N514-D517 PolarHBondContact O-N 2.89Å; N514-D517 PolarHBondContact OD1-N 3.44Å; D517-Y521 WeakPolarHBondContact O-CE2 3.37Å |
| 518 | L | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -86.4 | -30.3 | -178.9 | -176.2 | 59.7 | 0 | 0 | 0 | 111.9 | T476 L479 K480 V508 P515 D516 P520 Y521 L522 | T476-L518 HydrophobicContact CG2-CD1 4.24Å; L479-L518 HydrophobicContact CB-CD1 3.99Å; L479-L518 HydrophobicContact CD1-CD2 4.34Å; K480-L518 HydrophobicContact CG-CD1 4.05Å; V508-L518 HydrophobicContact CB-CD2 4.39Å; V508-L518 HydrophobicContact CG1-CD2 3.65Å; P515-L518 PolarHBondContact O-N 2.86Å; P515-L518 VanDerWaalsContact O-N 3.17Å; D516-L518 VanDerWaalsContact C-N 3.26Å; D516-L518 PolarHBondContact O-N 3.3Å; L518-P520 VanDerWaalsContact C-CD 3.44Å; L518-Y521 WeakPolarHBondContact O-CB 3.41Å; L518-Y521 PolarHBondContact O-N 2.84Å; L518-L522 HydrophobicContact CD1-CD2 4.45Å; L518-L522 HydrophobicContact CD1-CG 4.47Å; L518-L522 HydrophobicContact CD2-CD1 3.99Å; L518-L522 HydrophobicContact CD2-CG 4.49Å; L518-L522 HydrophobicContact CG-CD1 3.85Å; L518-L522 HydrophobicContact CG-CD2 4.32Å; L518-L522 HydrophobicContact CG-CG 3.95Å; L518-L522 PolarHBondContact O-N 2.86Å |
| 519 | L | 95.6 | Very high | 92.4 | Very high | 26 Ų | 26 | 68.6 Ų | 68.6 | 14% | 0.136 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -49.6 | -44.6 | -173.6 | -176 | 63.2 | 0 | 0 | 0 | 114.3 | Y509 P515 D516 Y521 L522 I523 L613 | Y509-L519 HydrophobicContact CE2-CB 4.2Å; Y509-L519 HydrophobicContact CE2-CD1 3.97Å; P515-L519 PolarHBondContact O-N 3.27Å; D516-L519 PolarHBondContact O-N 3.04Å; L519-Y521 PolarHBondContact O-N 3.27Å; L519-Y521 VanDerWaalsContact O-N 3.16Å; L519-L522 PolarHBondContact O-N 3.34Å; L519-I523 HydrophobicContact CD1-CB 4.39Å; L519-I523 HydrophobicContact CD1-CG1 4.07Å; L519-I523 PolarHBondContact O-N 3.49Å; L519-L613 HydrophobicContact CD1-CD1 3.75Å |
| 520 | P | 95.3 | Very high | 92.5 | Very high | 82 Ų | 82 | 72.3 Ų | 72.3 | 53% | 0.532 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.4 | -22.2 | -179.4 | -23.3 | 35.2 | 0 | 0 | 0 | 114.6 | D516 L518 | D516-P520 WeakPolarHBondContact O-CD 3.05Å; L518-P520 VanDerWaalsContact C-CD 3.44Å |
| 521 | Y | 95.4 | Very high | 92.8 | Very high | 101 Ų | 101 | 69 Ų | 69 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -85.1 | -23.2 | 176.8 | -59.2 | -87.5 | 0 | 0 | 0 | 112.4 | K480 G483 M484 D517 L518 L519 | K480-Y521 HydrophobicContact CB-CD1 4.27Å; K480-Y521 HydrophobicContact CB-CE1 4.22Å; K480-Y521 HydrophobicContact CB-CG 4.44Å; K480-Y521 HydrophobicContact CD-CE2 4.36Å; K480-Y521 HydrophobicContact CG-CD1 4.45Å; K480-Y521 HydrophobicContact CG-CD2 3.9Å; K480-Y521 HydrophobicContact CG-CE1 4.45Å; K480-Y521 HydrophobicContact CG-CE2 3.91Å; K480-Y521 HydrophobicContact CG-CG 4.17Å; K480-Y521 WeakPolarHBondContact O-CD1 3.19Å; K480-Y521 VanDerWaalsContact O-CE1 3.3Å; K480-Y521 WeakPolarHBondContact O-CE1 3.42Å; G483-Y521 WeakPolarHBondContact CA-O 3.09Å; M484-Y521 PolarHBondContact N-O 2.83Å; M484-Y521 VanDerWaalsContact N-O 3.12Å; D517-Y521 WeakPolarHBondContact O-CE2 3.37Å; L518-Y521 WeakPolarHBondContact O-CB 3.41Å; L518-Y521 PolarHBondContact O-N 2.84Å; L519-Y521 PolarHBondContact O-N 3.27Å; L519-Y521 VanDerWaalsContact O-N 3.16Å |
| 522 | L | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -88.7 | -49.3 | 179.2 | -57.3 | -176.4 | 0 | 0 | 0 | 111 | L479 M484 Q486 Y509 L518 L519 L613 | L479-L522 HydrophobicContact CB-CD2 4.4Å; L479-L522 HydrophobicContact CD1-CD2 4.21Å; L479-L522 HydrophobicContact CD2-CD2 3.92Å; L479-L522 HydrophobicContact CG-CD2 4.41Å; M484-L522 HydrophobicContact CB-CD2 3.96Å; M484-L522 HydrophobicContact CE-CB 3.92Å; M484-L522 WeakPolarHBondContact CE-O 3.45Å; M484-L522 HydrophobicContact SD-CD2 4.31Å; Q486-L522 PolarHBondContact NE2-O 3.44Å; Y509-L522 HydrophobicContact CD2-CD1 3.79Å; Y509-L522 HydrophobicContact CG-CD1 4.17Å; L518-L522 HydrophobicContact CD1-CD2 4.45Å; L518-L522 HydrophobicContact CD1-CG 4.47Å; L518-L522 HydrophobicContact CD2-CD1 3.99Å; L518-L522 HydrophobicContact CD2-CG 4.49Å; L518-L522 HydrophobicContact CG-CD1 3.85Å; L518-L522 HydrophobicContact CG-CD2 4.32Å; L518-L522 HydrophobicContact CG-CG 3.95Å; L518-L522 PolarHBondContact O-N 2.86Å; L519-L522 PolarHBondContact O-N 3.34Å; L522-L613 HydrophobicContact CB-CD1 4.07Å; L522-L613 HydrophobicContact CD1-CD1 3.81Å; L522-L613 HydrophobicContact CD1-CD2 4.07Å |
| 523 | I | 95.2 | Very high | 93.4 | Very high | 20 Ų | 20 | 76 Ų | 76 | 10% | 0.103 | 41% | 0.407 | C | S | . | . | trans | -119.5 | 107 | -178.7 | -52.2 | -62.9 | 0 | 0 | 0 | 107.9 | M484 L519 N526 P558 L613 W614 | M484-I523 HydrophobicContact CE-CD1 4.01Å; L519-I523 HydrophobicContact CD1-CB 4.39Å; L519-I523 HydrophobicContact CD1-CG1 4.07Å; L519-I523 PolarHBondContact O-N 3.49Å; I523-N526 HydrophobicContact CG2-CB 3.97Å; I523-P558 HydrophobicContact CG1-CB 4.2Å; I523-P558 HydrophobicContact CG2-CB 4.13Å; I523-L613 HydrophobicContact CD1-CD1 4.41Å; I523-L613 HydrophobicContact CG1-CD1 3.95Å; I523-W614 HydrophobicContact CD1-CE3 4.19Å; I523-W614 HydrophobicContact CD1-CZ3 3.98Å | ||
| 524 | R | 89.9 | Confident | 93.9 | Very high | 160 Ų | 160 | 75.2 Ų | 75.2 | 60% | 0.604 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -78.1 | -40.5 | -177.5 | -65.3 | -178 | -174.2 | 175.7 | 1.2 | 112.1 | Q486 | Q486-R524 HydrophobicContact CG-CG 4.35Å; Q486-R524 VanDerWaalsContact OE1-N 3.1Å |
| 525 | D | 87.6 | Confident | 94.3 | Very high | 140 Ų | 140 | 75.5 Ų | 75.5 | 75% | 0.749 | 40% | 0.395 | S | S | * | . | trans | -107.5 | 90.5 | -178.2 | -62.9 | -43.2 | 0 | 0 | 0 | 109.9 | ||||
| 526 | N | 90.1 | Very high | 94.6 | Very high | 57 Ų | 57 | 81.7 Ų | 81.7 | 31% | 0.305 | 42% | 0.416 | S | S | . | . | trans | -119.7 | 85 | 177.2 | -166.5 | 8.5 | 0 | 0 | 0 | 110.4 | I523 P558 | I523-N526 HydrophobicContact CG2-CB 3.97Å; N526-P558 PolarHBondContact ND2-O 3.27Å; N526-P558 WeakPolarHBondContact OD1-CD 3.43Å | ||
| 527 | P | 89.7 | Confident | 94.8 | Very high | 85 Ų | 85 | 78.2 Ų | 78.2 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | trans | -65.7 | 138.7 | -176.5 | 27.3 | -33.9 | 0 | 0 | 0 | 111.2 | L529 | P527-L529 HydrophobicContact CB-CD2 4.42Å; P527-L529 HydrophobicContact CG-CD2 4.34Å; P527-L529 PolarHBondContact O-N 2.79Å | ||
| 528 | L | 91.1 | Very high | 94.8 | Very high | 179 Ų | 179 | 80.2 Ų | 80.2 | 94% | 0.937 | 40% | 0.402 | S | S | * | . | trans | -69.6 | 113 | 170.1 | -67.4 | 175 | 0 | 0 | 0 | 109 | ||||
| 529 | L | 95.7 | Very high | 94.8 | Very high | 46 Ų | 46 | 80.2 Ų | 80.2 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | trans | -98.2 | 145.6 | 176.7 | -58.2 | -178.3 | 0 | 0 | 0 | 109.9 | P527 V531 Y555 V639 P661 | P527-L529 HydrophobicContact CB-CD2 4.42Å; P527-L529 HydrophobicContact CG-CD2 4.34Å; P527-L529 PolarHBondContact O-N 2.79Å; L529-V531 PolarHBondContact O-N 3.39Å; L529-Y555 HydrophobicContact CD1-CE1 4.31Å; L529-V639 HydrophobicContact CB-CG1 3.85Å; L529-V639 HydrophobicContact CB-CG2 3.82Å; L529-V639 HydrophobicContact CD1-CG1 3.95Å; L529-V639 HydrophobicContact CD1-CG2 4.39Å; L529-P661 HydrophobicContact CB-CB 4.43Å; L529-P661 HydrophobicContact CD2-CB 4.26Å | ||
| 530 | P | 96.6 | Very high | 94.6 | Very high | 92 Ų | 92 | 82.5 Ų | 82.5 | 60% | 0.597 | 41% | 0.414 | S | S | * | . | trans | -55.7 | 137.7 | 172.7 | -24.3 | 33 | 0 | 0 | 0 | 111.7 | P640 | P530-P640 WeakPolarHBondContact O-CD 3.26Š| ||
| 531 | V | 97.9 | Very high | 94.5 | Very high | 56 Ų | 56 | 79 Ų | 79 | 34% | 0.339 | 39% | 0.392 | S | S | . | . | trans | -114.2 | 152.9 | -178.9 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | L529 M560 M637 A638 V639 | L529-V531 PolarHBondContact O-N 3.39Å; V531-M560 HydrophobicContact CG1-CE 3.79Å; V531-M637 HydrophobicContact CB-CG 4.06Å; V531-M637 HydrophobicContact CG1-CG 4.27Å; V531-M637 HydrophobicContact CG2-CG 4.04Å; V531-M637 HydrophobicContact CG2-SD 4.44Å; V531-A638 CarbonylContact C-O 3.44Å; V531-A638 VanDerWaalsContact CA-O 3.23Å; V531-A638 WeakPolarHBondContact CA-O 3.39Å; V531-A638 WeakPolarHBondContact CB-O 3.43Å; V531-V639 HydrophobicContact CG1-CG2 4.15Å | ||
| 532 | V | 97.6 | Very high | 94.2 | Very high | 44 Ų | 44 | 77.2 Ų | 77.2 | 27% | 0.267 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 152.8 | 165.1 | -65.5 | 0 | 0 | 0 | 0 | 109.6 | H535 L554 M637 A638 P640 | V532-H535 HydrophobicContact CG2-CB 4.2Å; V532-L554 HydrophobicContact CG2-CD2 3.72Å; V532-M637 WeakPolarHBondContact O-CA 3.4Å; V532-A638 WeakPolarHBondContact CG2-O 3.44Å; V532-A638 PolarHBondContact N-O 3.25Å; V532-A638 PolarHBondContact O-N 3.36Å; V532-A638 VanDerWaalsContact O-N 3.11Å; V532-P640 HydrophobicContact CG1-CB 4.4Å; V532-P640 HydrophobicContact CG1-CG 4.15Å |
| 533 | H | 98.1 | Very high | 93.9 | Very high | 123 Ų | 123 | 77.4 Ų | 77.4 | 57% | 0.569 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 145.4 | -178.2 | -64.5 | -77 | 0 | 0 | 0 | 112.3 | H535 Q636 | H533-H535 PolarHBondContact O-N 3.3Å; H533-H535 VanDerWaalsContact O-N 3.15Å; H533-Q636 CarbonylContact C-O 3.58Å; H533-Q636 WeakPolarHBondContact CA-O 3.47Å |
| 534 | N | 97 | Very high | 93.5 | Very high | 106 Ų | 106 | 82.2 Ų | 82.2 | 57% | 0.567 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47.7 | 42.7 | 176.3 | -61.1 | -42.3 | 0 | 0 | 0 | 113.1 | R536 V635 Q636 | N534-R536 PolarHBondContact O-N 3.27Å; N534-V635 CarbonylContact C-O 3.52Å; N534-V635 VanDerWaalsContact CA-O 3.32Å; N534-V635 WeakPolarHBondContact CA-O 3.2Å; N534-V635 PolarHBondContact N-O 2.66Å; N534-Q636 PolarHBondContact N-O 3.01Å |
| 535 | H | 97.7 | Very high | 93 | Very high | 77 Ų | 77 | 77.9 Ų | 77.9 | 36% | 0.356 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 126 | -176.4 | -167.3 | 93.4 | 0 | 0 | 0 | 110 | V532 H533 L554 F634 V635 | V532-H535 HydrophobicContact CG2-CB 4.2Å; H533-H535 PolarHBondContact O-N 3.3Å; H533-H535 VanDerWaalsContact O-N 3.15Å; H535-L554 HydrophobicContact CB-CD1 3.95Å; H535-L554 HydrophobicContact CB-CD2 4.26Å; H535-F634 WeakPolarHBondContact O-CA 3.34Å; H535-V635 PolarHBondContact N-O 2.89Å; H535-V635 PolarHBondContact O-N 3.23Å |
| 536 | R | 97.5 | Very high | 93.1 | Very high | 152 Ų | 152 | 72.4 Ų | 72.4 | 57% | 0.574 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.3 | -178.8 | -177.4 | -174.9 | -65.5 | -178.4 | 0.9 | 110.4 | N534 Q632 F634 | N534-R536 PolarHBondContact O-N 3.27Å; R536-Q632 HydrophobicContact CG-CB 4.42Å; R536-Q632 HydrophobicContact CG-CG 4.38Å; R536-F634 HydrophobicContact CB-CD1 4.12Å; R536-F634 HydrophobicContact CB-CE1 3.91Å; R536-F634 HydrophobicContact CG-CD1 4.45Å; R536-F634 HydrophobicContact CG-CE1 3.92Å; R536-F634 HydrophobicContact CG-CZ 4.28Å |
| 537 | V | 96.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 72.1 Ų | 72.1 | 5% | 0.048 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.5 | 172.5 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | T552 L554 L620 Q632 A633 V635 | V537-T552 HydrophobicContact CG1-CG2 3.96Å; V537-T552 HydrophobicContact CG2-CG2 3.91Å; V537-L554 HydrophobicContact CG2-CD1 4.45Å; V537-L620 HydrophobicContact CG1-CD1 3.92Å; V537-Q632 WeakPolarHBondContact O-CA 3.34Å; V537-A633 HydrophobicContact CB-CB 4.44Å; V537-A633 PolarHBondContact N-O 3.02Å; V537-A633 PolarHBondContact O-N 2.96Å; V537-V635 HydrophobicContact CG2-CG2 4.21Å |
| 538 | K | 95.3 | Very high | 93.5 | Very high | 131 Ų | 131 | 69.4 Ų | 69.4 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 135 | 175.2 | -164.8 | -176.2 | -175 | -147 | 0 | 110.1 | D540 | K538-D540 WeakPolarHBondContact CD-OD2 3.5Å; K538-D540 WeakPolarHBondContact CE-OD2 3.36Å; K538-D540 IonicContact NZ-OD1 3.5Å; K538-D540 IonicContact NZ-OD2 3.75Å; K538-D540 PolarHBondContact NZ-OD2 2.85Å |
| 539 | I | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 103.4 | 179.5 | -57.4 | 172.4 | 0 | 0 | 0 | 108 | I550 P567 I570 W575 L620 A628 G630 L631 A633 | I539-I550 HydrophobicContact CG2-CD1 3.88Å; I539-P567 HydrophobicContact CD1-CG 4.28Å; I539-I570 HydrophobicContact CD1-CD1 3.96Å; I539-W575 HydrophobicContact CG2-CH2 3.53Å; I539-W575 HydrophobicContact CG2-CZ2 4.33Å; I539-W575 HydrophobicContact CG2-CZ3 4.14Å; I539-L620 HydrophobicContact CD1-CD1 3.6Å; I539-L620 HydrophobicContact CG1-CD1 3.63Å; I539-A628 HydrophobicContact CG2-CB 4.15Å; I539-G630 PolarHBondContact O-N 2.91Å; I539-L631 HydrophobicContact CB-CB 3.93Å; I539-L631 HydrophobicContact CD1-CB 4.39Å; I539-L631 HydrophobicContact CG2-CB 4.34Å; I539-L631 PolarHBondContact N-O 2.83Å; I539-L631 PolarHBondContact O-N 2.77Å; I539-A633 HydrophobicContact CD1-CB 4.02Å |
| 540 | D | 91.8 | Very high | 93.7 | Very high | 73 Ų | 73 | 60.1 Ų | 60.1 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 109 | 168.9 | -60.1 | -52.7 | 0 | 0 | 0 | 107.4 | K538 A628 G630 | K538-D540 WeakPolarHBondContact CD-OD2 3.5Å; K538-D540 WeakPolarHBondContact CE-OD2 3.36Å; K538-D540 IonicContact NZ-OD1 3.5Å; K538-D540 IonicContact NZ-OD2 3.75Å; K538-D540 PolarHBondContact NZ-OD2 2.85Å; D540-A628 CarbonylContact C-O 3.54Å; D540-A628 WeakPolarHBondContact CA-O 3.41Å; D540-G630 PolarHBondContact OD1-N 3.45Å |
| 541 | V | 91.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 56.1 Ų | 56.1 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 143.5 | -177.6 | 78.5 | 0 | 0 | 0 | 0 | 111.3 | T543 E548 I550 W575 A622 T626 Q627 A628 | V541-T543 HydrophobicContact CG2-CG2 3.49Å; V541-T543 VanDerWaalsContact CG2-CG2 3.49Å; V541-E548 HydrophobicContact CG2-CB 4.19Å; V541-E548 HydrophobicContact CG2-CG 4.3Å; V541-E548 VanDerWaalsContact CG2-OE2 3.27Å; V541-E548 WeakPolarHBondContact CG2-OE2 3.19Å; V541-I550 HydrophobicContact CB-CD1 4.22Å; V541-W575 HydrophobicContact CG1-CH2 3.68Å; V541-W575 HydrophobicContact CG1-CZ2 3.88Å; V541-A622 HydrophobicContact CB-CB 4.45Å; V541-A622 HydrophobicContact CG1-CB 3.85Å; V541-A622 HydrophobicContact CG2-CB 3.99Å; V541-T626 HydrophobicContact CG1-CG2 4.09Å; V541-Q627 WeakPolarHBondContact O-CA 3.21Å; V541-A628 HydrophobicContact CG1-CB 4.17Å; V541-A628 PolarHBondContact N-O 2.82Å; V541-A628 PolarHBondContact O-N 3.16Å |
| 542 | S | 90.6 | Very high | 93.8 | Very high | 63 Ų | 63 | 53.9 Ų | 53.9 | 44% | 0.441 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 79.5 | 175.3 | 162.6 | 0 | 0 | 0 | 0 | 107.5 | T626 Q627 | S542-T626 CarbonylContact C-O 3.52Å; S542-T626 WeakPolarHBondContact CA-O 3.31Å; S542-Q627 VanDerWaalsContact CB-OE1 3.28Å; S542-Q627 PolarHBondContact OG-NE2 2.91Å; S542-Q627 PolarHBondContact OG-OE1 2.89Å |
| 543 | T | 89.4 | Confident | 93.8 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | trans | -81.2 | 139.4 | -178.4 | 66.1 | 0 | 0 | 0 | 0 | 111.1 | V541 E548 A622 P623 N625 T626 | V541-T543 HydrophobicContact CG2-CG2 3.49Å; V541-T543 VanDerWaalsContact CG2-CG2 3.49Å; T543-E548 HydrophobicContact CG2-CB 3.55Å; T543-A622 HydrophobicContact CG2-CB 3.84Å; T543-P623 PolarHBondContact OG1-O 2.77Å; T543-N625 VanDerWaalsContact O-CA 3.31Å; T543-N625 WeakPolarHBondContact O-CA 3.34Å; T543-N625 PolarHBondContact O-N 3.1Å; T543-N625 PolarHBondContact OG1-N 3.13Å; T543-N625 VanDerWaalsContact OG1-N 3.13Å; T543-T626 PolarHBondContact N-O 3.14Å; T543-T626 PolarHBondContact O-N 3.24Å; T543-T626 WeakPolarHBondContact OG1-CB 3.39Å; T543-T626 PolarHBondContact OG1-N 3.44Å | ||
| 544 | E | 86.5 | Confident | 93.8 | Very high | 120 Ų | 120 | 46.4 Ų | 46.4 | 56% | 0.561 | 25% | 0.252 | S | S | * | . | trans | -93.3 | -132.3 | 167.6 | -64.9 | -174.9 | 174.3 | 0 | 0 | 109.7 | G546 P624 N625 P712 | E544-G546 PolarHBondContact O-N 3.09Å; E544-P624 CarbonylContact O-C 3.58Å; E544-P624 WeakPolarHBondContact O-CA 3.37Å; E544-N625 PolarHBondContact O-N 3.34Å; E544-P712 HydrophobicContact CB-CB 4.29Å; E544-P712 HydrophobicContact CG-CB 3.74Å; E544-P712 VanDerWaalsContact OE2-CB 3.28Å; E544-P712 WeakPolarHBondContact OE2-CB 2.9Å; E544-P712 WeakPolarHBondContact OE2-CG 3.17Å | ||
| 545 | G | 80.6 | Confident | 93.9 | Very high | 69 Ų | 69 | 42 Ų | 42 | 71% | 0.711 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -70.5 | 1.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 546 | G | 88.8 | Confident | 93.9 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 26% | 0.258 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -131.5 | 155.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E544 | E544-G546 PolarHBondContact O-N 3.09Š|
| 547 | E | 93.5 | Very high | 93.9 | Very high | 51 Ų | 51 | 31.7 Ų | 31.7 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | trans | -65.9 | 147.5 | 171.8 | 61.6 | 168.4 | -134 | 0 | 0 | 111.2 | W549 R600 V621 A622 R713 | E547-W549 PolarHBondContact OE1-NE1 2.79Å; E547-R600 IonicContact OE1-CZ 3.54Å; E547-R600 IonicContact OE1-NH1 2.62Å; E547-R600 PolarHBondContact OE1-NH1 3.09Å; E547-R600 IonicContact OE1-NH2 3.55Å; E547-R600 PolarHBondContact OE1-NH2 3.3Å; E547-R600 IonicContact OE2-CZ 3.14Å; E547-R600 IonicContact OE2-NH1 3.7Å; E547-R600 PolarHBondContact OE2-NH1 3.41Å; E547-R600 IonicContact OE2-NH2 3.61Å; E547-V621 HydrophobicContact CB-CG1 4.13Å; E547-V621 HydrophobicContact CG-CG1 4.44Å; E547-A622 CarbonylContact C-O 3.6Å; E547-A622 WeakPolarHBondContact CA-O 3.32Å; E547-A622 WeakPolarHBondContact CB-O 3.48Å; E547-R713 WeakPolarHBondContact O-CD 3.46Å; E547-R713 PolarHBondContact O-NH1 2.91Å | ||
| 548 | E | 94.5 | Very high | 93.9 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 14% | 0.136 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.8 | 176.3 | -177.3 | 166.1 | -162.1 | 0 | 0 | 110.7 | V541 T543 A622 R713 | V541-E548 HydrophobicContact CG2-CB 4.19Å; V541-E548 HydrophobicContact CG2-CG 4.3Å; V541-E548 VanDerWaalsContact CG2-OE2 3.27Å; V541-E548 WeakPolarHBondContact CG2-OE2 3.19Å; T543-E548 HydrophobicContact CG2-CB 3.55Å; E548-A622 PolarHBondContact N-O 3.04Å; E548-A622 PolarHBondContact O-N 2.88Å; E548-R713 HydrophobicContact CB-CG 4.13Å; E548-R713 HydrophobicContact CG-CG 4.08Å |
| 549 | W | 96 | Very high | 93.9 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.019 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 129.2 | 176.4 | -57.7 | 7.7 | 0 | 0 | 0 | 109.9 | E547 C581 T583 Y619 V621 R716 Y732 P733 | E547-W549 PolarHBondContact OE1-NE1 2.79Å; W549-C581 WeakPolarHBondContact CZ3-O 3.46Å; W549-T583 HydrophobicContact CH2-CG2 3.67Å; W549-T583 HydrophobicContact CZ2-CG2 3.66Å; W549-Y619 HydrophobicContact CB-CD1 4.29Å; W549-Y619 HydrophobicContact CE3-CD1 4.14Å; W549-Y619 HydrophobicContact CE3-CD2 4.28Å; W549-Y619 HydrophobicContact CE3-CE1 4.29Å; W549-Y619 HydrophobicContact CE3-CE2 4.44Å; W549-Y619 HydrophobicContact CE3-CG 4.13Å; W549-Y619 HydrophobicContact CZ3-CE2 4.49Å; W549-V621 HydrophobicContact CG-CG2 4.25Å; W549-R716 PolarHBondContact O-NH2 2.7Å; W549-Y732 AromaticContact CD1-CE1 3.76Å; W549-Y732 HydrophobicContact CD2-CE1 4.43Å; W549-Y732 HydrophobicContact CG-CE1 4.15Å; W549-Y732 PolarHBondContact N-OH 2.52Å; W549-Y732 AromaticContact NE1-CE1 3.79Å; W549-P733 HydrophobicContact CH2-CG 4.44Å |
| 550 | I | 96 | Very high | 93.9 | Very high | 25 Ų | 25 | 27.8 Ų | 27.8 | 13% | 0.128 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 114.6 | 173.7 | -52.3 | 176 | 0 | 0 | 0 | 107.8 | I539 V541 W575 Y619 L620 | I539-I550 HydrophobicContact CG2-CD1 3.88Å; V541-I550 HydrophobicContact CB-CD1 4.22Å; I550-W575 HydrophobicContact CD1-CH2 3.9Å; I550-W575 HydrophobicContact CD1-CZ3 3.81Å; I550-Y619 WeakPolarHBondContact O-CA 3.22Å; I550-L620 HydrophobicContact CB-CB 4.2Å; I550-L620 HydrophobicContact CD1-CB 4.42Å; I550-L620 PolarHBondContact N-O 2.81Å; I550-L620 PolarHBondContact O-N 3.41Å; I550-L620 VanDerWaalsContact O-N 3.16Å |
| 551 | S | 97.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 6% | 0.056 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 135.6 | 175.3 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | E666 R716 | S551-E666 WeakPolarHBondContact CB-OE2 3.1Å; S551-E666 PolarHBondContact OG-OE1 2.9Å; S551-E666 PolarHBondContact OG-OE2 3.48Å; S551-R716 PolarHBondContact OG-NH1 2.69Å; S551-R716 PolarHBondContact OG-NH2 2.95Å |
| 552 | T | 97.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 27 Ų | 27 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -16.9 | -177.7 | 64 | 0 | 0 | 0 | 0 | 113.4 | V537 L554 I618 | V537-T552 HydrophobicContact CG1-CG2 3.96Å; V537-T552 HydrophobicContact CG2-CG2 3.91Å; T552-L554 PolarHBondContact O-N 3.49Å; T552-L554 WeakPolarHBondContact OG1-CB 3.47Å; T552-L554 PolarHBondContact OG1-N 3.3Å; T552-I618 WeakPolarHBondContact CB-O 3.38Å; T552-I618 HydrophobicContact CG2-CB 4.42Å; T552-I618 HydrophobicContact CG2-CG2 4.34Å; T552-I618 WeakPolarHBondContact CG2-O 3.35Å; T552-I618 PolarHBondContact OG1-O 2.77Å |
| 553 | G | 97.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 68.4 | 19.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A641 | G553-A641 PolarHBondContact O-N 2.75Å |
| 554 | L | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150 | -176.9 | -58.3 | 173.2 | 0 | 0 | 0 | 111.5 | V532 H535 V537 T552 L617 I618 V635 A638 V639 | V532-L554 HydrophobicContact CG2-CD2 3.72Å; H535-L554 HydrophobicContact CB-CD1 3.95Å; H535-L554 HydrophobicContact CB-CD2 4.26Å; V537-L554 HydrophobicContact CG2-CD1 4.45Å; T552-L554 PolarHBondContact O-N 3.49Å; T552-L554 WeakPolarHBondContact OG1-CB 3.47Å; T552-L554 PolarHBondContact OG1-N 3.3Å; L554-L617 CarbonylContact O-C 3.58Å; L554-L617 WeakPolarHBondContact O-CA 3.28Å; L554-L617 WeakPolarHBondContact O-CD2 3.45Å; L554-I618 HydrophobicContact CB-CB 4.49Å; L554-I618 HydrophobicContact CB-CD1 3.93Å; L554-I618 HydrophobicContact CB-CG1 4.3Å; L554-I618 PolarHBondContact O-N 2.87Å; L554-V635 HydrophobicContact CD1-CB 3.63Å; L554-V635 HydrophobicContact CD1-CG1 4.01Å; L554-V635 HydrophobicContact CD1-CG2 3.65Å; L554-A638 HydrophobicContact CB-CB 3.9Å; L554-A638 HydrophobicContact CD1-CB 4.25Å; L554-A638 HydrophobicContact CD2-CB 4.18Å; L554-A638 HydrophobicContact CG-CB 4.34Å; L554-V639 CarbonylContact C-O 3.45Å |
| 555 | Y | 98.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 23.7 Ų | 23.7 | 6% | 0.059 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.3 | -179.1 | 173.6 | -100 | 0 | 0 | 0 | 110.3 | L529 G616 V639 S662 P663 | L529-Y555 HydrophobicContact CD1-CE1 4.31Å; Y555-G616 WeakPolarHBondContact CA-O 3.38Å; Y555-G616 WeakPolarHBondContact CD2-O 3.45Å; Y555-G616 VanDerWaalsContact CE2-CA 3.48Å; Y555-V639 HydrophobicContact CD1-CB 3.95Å; Y555-V639 HydrophobicContact CD1-CG1 4.2Å; Y555-V639 HydrophobicContact CD1-CG2 4.31Å; Y555-V639 PolarHBondContact N-O 3.2Å; Y555-V639 WeakPolarHBondContact O-CB 3.44Å; Y555-V639 PolarHBondContact O-N 3.49Å; Y555-S662 VanDerWaalsContact CB-OG 3.23Å; Y555-S662 WeakPolarHBondContact CB-OG 3.49Å; Y555-S662 WeakPolarHBondContact CD2-OG 3.24Å; Y555-S662 VanDerWaalsContact CG-OG 3.24Å; Y555-P663 HydrophobicContact CD2-CG 4.43Å; Y555-P663 HydrophobicContact CE1-CG 4.19Å; Y555-P663 HydrophobicContact CE2-CG 3.76Å |
| 556 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.3 | 165.5 | -63.8 | -176.9 | 0 | 0 | 0 | 109.5 | M560 T562 I579 V610 G615 G616 I618 A638 | L556-M560 HydrophobicContact CB-CB 4.34Å; L556-M560 HydrophobicContact CD2-CE 4.37Å; L556-M560 HydrophobicContact CD2-CG 4.21Å; L556-M560 HydrophobicContact CD2-SD 3.87Å; L556-T562 HydrophobicContact CD1-CG2 4.1Å; L556-T562 HydrophobicContact CD2-CG2 3.74Å; L556-I579 HydrophobicContact CB-CG2 4.46Å; L556-I579 HydrophobicContact CD1-CD1 3.82Å; L556-I579 HydrophobicContact CD1-CG1 4.29Å; L556-I579 HydrophobicContact CD1-CG2 4.24Å; L556-V610 HydrophobicContact CD1-CG2 4.18Å; L556-G615 CarbonylContact O-C 3.55Å; L556-G615 WeakPolarHBondContact O-CA 3.46Å; L556-G616 PolarHBondContact N-O 3.39Å; L556-G616 PolarHBondContact O-N 2.91Å; L556-I618 HydrophobicContact CD1-CD1 4.38Å; L556-I618 HydrophobicContact CD2-CD1 3.86Å; L556-I618 HydrophobicContact CG-CD1 3.79Å; L556-I618 HydrophobicContact CG-CG1 4.01Å; L556-A638 HydrophobicContact CD2-CB 4.23Å |
| 557 | S | 97.3 | Very high | 97 | Very high | 12 Ų | 12 | 20.6 Ų | 20.6 | 8% | 0.084 | 11% | 0.108 | C | C | . | . | trans | -62.3 | 157.7 | 167.6 | -66.8 | 0 | 0 | 0 | 0 | 111.1 | G559 M560 | S557-G559 PolarHBondContact O-N 2.9Å; S557-M560 WeakPolarHBondContact O-CB 3.42Å; S557-M560 PolarHBondContact O-N 2.73Å | ||
| 558 | P | 96.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 20.9 Ų | 20.9 | 16% | 0.156 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | 123 | 173.2 | -31.6 | 37.8 | 0 | 0 | 0 | 112.8 | I523 N526 M560 L613 | I523-P558 HydrophobicContact CG1-CB 4.2Å; I523-P558 HydrophobicContact CG2-CB 4.13Å; N526-P558 PolarHBondContact ND2-O 3.27Å; N526-P558 WeakPolarHBondContact OD1-CD 3.43Å; P558-M560 PolarHBondContact O-N 2.99Å; P558-L613 CarbonylContact C-O 3.57Å; P558-L613 WeakPolarHBondContact CA-O 3.37Å; P558-L613 VanDerWaalsContact CB-O 3.23Å; P558-L613 WeakPolarHBondContact CB-O 3.46Å |
| 559 | G | 95.1 | Very high | 97.2 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -5.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y509 S557 K561 N612 L613 | Y509-G559 WeakPolarHBondContact OH-CA 3.34Å; Y509-G559 PolarHBondContact OH-O 2.85Å; S557-G559 PolarHBondContact O-N 2.9Å; G559-K561 PolarHBondContact O-N 3.32Å; G559-N612 PolarHBondContact N-O 2.77Å; G559-L613 PolarHBondContact N-O 2.77Å |
| 560 | M | 95.5 | Very high | 97.2 | Very high | 27 Ų | 27 | 25 Ų | 25 | 13% | 0.133 | 14% | 0.141 | C | C | . | . | trans | -61.8 | 132 | -179.9 | -175.1 | -178.1 | -179.9 | 0 | 0 | 111.3 | V531 L556 S557 P558 S611 M637 V639 | V531-M560 HydrophobicContact CG1-CE 3.79Å; L556-M560 HydrophobicContact CB-CB 4.34Å; L556-M560 HydrophobicContact CD2-CE 4.37Å; L556-M560 HydrophobicContact CD2-CG 4.21Å; L556-M560 HydrophobicContact CD2-SD 3.87Å; S557-M560 WeakPolarHBondContact O-CB 3.42Å; S557-M560 PolarHBondContact O-N 2.73Å; P558-M560 PolarHBondContact O-N 2.99Å; M560-S611 WeakPolarHBondContact O-CA 3.42Å; M560-S611 WeakPolarHBondContact O-CB 3.47Å; M560-M637 HydrophobicContact CE-CB 4.17Å; M560-M637 HydrophobicContact CE-CE 3.73Å; M560-M637 HydrophobicContact CE-CG 3.54Å; M560-M637 HydrophobicContact CE-SD 4.1Å; M560-V639 HydrophobicContact SD-CG2 4.4Å | ||
| 561 | K | 95.5 | Very high | 97.3 | Very high | 61 Ų | 61 | 24.8 Ų | 24.8 | 27% | 0.265 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 138 | 175.1 | -62.4 | 168.3 | -172.1 | 165.1 | 0 | 109.7 | D516 G559 V610 | D516-K561 WeakPolarHBondContact OD1-CE 3.02Å; D516-K561 IonicContact OD1-NZ 2.66Å; D516-K561 PolarHBondContact OD1-NZ 3.45Å; D516-K561 IonicContact OD2-NZ 3.04Å; D516-K561 PolarHBondContact OD2-NZ 3.49Å; G559-K561 PolarHBondContact O-N 3.32Å; K561-V610 WeakPolarHBondContact CA-O 3.37Å |
| 562 | T | 97.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 157.6 | 168 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | L556 V564 Q609 V610 V635 M637 | L556-T562 HydrophobicContact CD1-CG2 4.1Å; L556-T562 HydrophobicContact CD2-CG2 3.74Å; T562-V564 HydrophobicContact CG2-CG2 4.5Å; T562-Q609 WeakPolarHBondContact O-CA 3.33Å; T562-V610 HydrophobicContact CG2-CG2 3.64Å; T562-V610 PolarHBondContact N-O 2.92Å; T562-V610 VanDerWaalsContact N-O 3.09Å; T562-V610 PolarHBondContact O-N 3.46Å; T562-V635 HydrophobicContact CG2-CG1 4.06Å; T562-M637 WeakPolarHBondContact CB-O 2.91Å; T562-M637 PolarHBondContact OG1-N 2.82Å; T562-M637 VanDerWaalsContact OG1-N 3.07Å; T562-M637 PolarHBondContact OG1-O 3.03Å; T562-M637 VanDerWaalsContact OG1-O 3.05Å |
| 563 | Y | 98.4 | Very high | 97.1 | Very high | 93 Ų | 93 | 36.5 Ų | 36.5 | 37% | 0.365 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 146.1 | 161.3 | -68.7 | -90.4 | 0 | 0 | 0 | 110.9 | M607 I608 Q609 Q636 | Y563-M607 HydrophobicContact CD1-CE 4.13Å; Y563-M607 HydrophobicContact CG-CE 4.03Å; Y563-I608 CarbonylContact C-O 3.57Å; Y563-I608 VanDerWaalsContact CA-O 3.29Å; Y563-I608 WeakPolarHBondContact CA-O 3.3Å; Y563-Q609 HydrophobicContact CD1-CB 3.91Å; Y563-Q609 HydrophobicContact CD1-CG 4.42Å; Y563-Q609 HydrophobicContact CE1-CB 3.61Å; Y563-Q609 HydrophobicContact CE1-CG 4.1Å; Y563-Q609 HydrophobicContact CE2-CG 4.31Å; Y563-Q636 PolarHBondContact O-N 3.47Å |
| 564 | V | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.1 | 167.9 | -171.6 | 0 | 0 | 0 | 0 | 107.7 | T562 I566 I577 I608 V610 F634 V635 | T562-V564 HydrophobicContact CG2-CG2 4.5Å; V564-I566 HydrophobicContact CB-CD1 4.49Å; V564-I566 HydrophobicContact CG1-CD1 3.61Å; V564-I566 HydrophobicContact CG1-CG1 4.22Å; V564-I577 HydrophobicContact CB-CD1 3.8Å; V564-I577 HydrophobicContact CG1-CD1 4.07Å; V564-I577 HydrophobicContact CG2-CD1 4.01Å; V564-I608 PolarHBondContact N-O 3.12Å; V564-I608 PolarHBondContact O-N 2.79Å; V564-V610 HydrophobicContact CG2-CG2 3.89Å; V564-F634 CarbonylContact C-O 3.58Å; V564-F634 WeakPolarHBondContact CA-O 3.19Å; V564-V635 HydrophobicContact CG1-CG2 4.29Å; V564-V635 HydrophobicContact CG2-CG2 4.32Å |
| 565 | A | 98.4 | Very high | 96.9 | Very high | 25 Ų | 25 | 38.9 Ų | 38.9 | 21% | 0.207 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 124.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | E606 M607 A633 F634 | A565-E606 CarbonylContact C-O 3.53Å; A565-E606 VanDerWaalsContact CA-O 3.31Å; A565-E606 WeakPolarHBondContact CA-O 3.35Å; A565-M607 VanDerWaalsContact CA-SD 3.54Å; A565-M607 HydrophobicContact CB-SD 3.47Å; A565-M607 WeakPolarHBondContact CB-SD 3.38Å; A565-A633 CarbonylContact O-C 3.5Å; A565-A633 WeakPolarHBondContact O-CA 3.38Å; A565-A633 WeakPolarHBondContact O-CB 3.4Å; A565-F634 HydrophobicContact CB-CB 4.11Å; A565-F634 HydrophobicContact CB-CD2 4.49Å; A565-F634 PolarHBondContact N-O 3.15Å; A565-F634 PolarHBondContact O-N 3.15Å |
| 566 | I | 98.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | trans | -117.2 | 134.2 | -173.5 | -63.7 | -62 | 0 | 0 | 0 | 108.9 | V564 I570 V571 I577 V603 E606 I608 L620 A633 | V564-I566 HydrophobicContact CB-CD1 4.49Å; V564-I566 HydrophobicContact CG1-CD1 3.61Å; V564-I566 HydrophobicContact CG1-CG1 4.22Å; I566-I570 HydrophobicContact CG2-CD1 3.67Å; I566-I570 HydrophobicContact CG2-CG1 3.4Å; I566-I570 VanDerWaalsContact CG2-CG1 3.4Å; I566-V571 HydrophobicContact CG2-CG2 4Å; I566-I577 HydrophobicContact CD1-CD1 4.21Å; I566-I577 HydrophobicContact CG1-CD1 4.44Å; I566-V603 HydrophobicContact CB-CG1 4.18Å; I566-V603 HydrophobicContact CG1-CG1 4.2Å; I566-V603 HydrophobicContact CG2-CG1 3.33Å; I566-E606 PolarHBondContact N-O 3.23Å; I566-I608 HydrophobicContact CG1-CD1 3.98Å; I566-L620 HydrophobicContact CD1-CD2 4.09Å; I566-A633 HydrophobicContact CD1-CB 4.05Å | ||
| 567 | P | 97.2 | Very high | 96.9 | Very high | 22 Ų | 22 | 41 Ų | 41 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | trans | -64.1 | 139.7 | 176.6 | 23.6 | -30.3 | 0 | 0 | 0 | 111 | I539 D569 I570 L631 Q632 | I539-P567 HydrophobicContact CD1-CG 4.28Å; P567-D569 PolarHBondContact O-N 3.07Å; P567-I570 HydrophobicContact CG-CD1 4.07Å; P567-I570 HydrophobicContact CG-CG1 4.08Å; P567-I570 WeakPolarHBondContact O-CG1 3.24Å; P567-I570 PolarHBondContact O-N 2.82Å; P567-I570 VanDerWaalsContact O-N 3.16Å; P567-L631 HydrophobicContact CG-CB 4.14Å; P567-L631 HydrophobicContact CG-CD1 4.31Å; P567-Q632 VanDerWaalsContact CD-O 3.3Å; P567-Q632 WeakPolarHBondContact CD-O 3.3Å | ||
| 568 | A | 96.8 | Very high | 97 | Very high | 56 Ų | 56 | 40.4 Ų | 40.4 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -53.7 | -31.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I570 V571 E606 | A568-I570 PolarHBondContact O-N 3.49Å; A568-I570 VanDerWaalsContact O-N 3.14Å; A568-V571 PolarHBondContact O-N 3.42Å; A568-E606 HydrophobicContact CB-CG 4.44Å |
| 569 | D | 96.1 | Very high | 97.1 | Very high | 114 Ų | 114 | 39.3 Ų | 39.3 | 61% | 0.61 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -55.2 | -29.8 | -179.9 | -56.3 | -101.7 | 0 | 0 | 0 | 114.3 | P567 L631 | P567-D569 PolarHBondContact O-N 3.07Å; D569-L631 HydrophobicContact CB-CD1 3.94Å; D569-L631 HydrophobicContact CB-CD2 4.28Å |
| 570 | I | 96.1 | Very high | 97.2 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -109.3 | -1.6 | -176.3 | 68.7 | 175.4 | 0 | 0 | 0 | 113.7 | I539 I566 P567 A568 N572 K573 W575 L631 | I539-I570 HydrophobicContact CD1-CD1 3.96Å; I566-I570 HydrophobicContact CG2-CD1 3.67Å; I566-I570 HydrophobicContact CG2-CG1 3.4Å; I566-I570 VanDerWaalsContact CG2-CG1 3.4Å; P567-I570 HydrophobicContact CG-CD1 4.07Å; P567-I570 HydrophobicContact CG-CG1 4.08Å; P567-I570 WeakPolarHBondContact O-CG1 3.24Å; P567-I570 PolarHBondContact O-N 2.82Å; P567-I570 VanDerWaalsContact O-N 3.16Å; A568-I570 PolarHBondContact O-N 3.49Å; A568-I570 VanDerWaalsContact O-N 3.14Å; I570-N572 PolarHBondContact O-N 3.42Å; I570-K573 WeakPolarHBondContact O-CB 3.47Å; I570-K573 PolarHBondContact O-N 2.86Å; I570-W575 HydrophobicContact CB-CD2 4.17Å; I570-W575 HydrophobicContact CB-CG 3.98Å; I570-W575 HydrophobicContact CD1-CD2 3.98Å; I570-W575 HydrophobicContact CD1-CE3 4.06Å; I570-W575 HydrophobicContact CD1-CG 4.31Å; I570-W575 HydrophobicContact CD1-CZ3 4.47Å; I570-W575 HydrophobicContact CG2-CD2 4.41Å; I570-W575 HydrophobicContact CG2-CZ2 4.09Å; I570-L631 HydrophobicContact CG2-CD1 3.67Å |
| 571 | V | 97.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 131.8 | 177.4 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | I566 A568 K573 V603 E606 | I566-V571 HydrophobicContact CG2-CG2 4Å; A568-V571 PolarHBondContact O-N 3.42Å; V571-K573 PolarHBondContact O-N 3.48Å; V571-V603 HydrophobicContact CG2-CG1 4.33Å; V571-E606 HydrophobicContact CG2-CG 4.03Å |
| 572 | N | 96.4 | Very high | 97.3 | Very high | 120 Ų | 120 | 35.4 Ų | 35.4 | 64% | 0.642 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 26.7 | -175.4 | -62.4 | -54.7 | 0 | 0 | 0 | 114.2 | I570 V603 N604 | I570-N572 PolarHBondContact O-N 3.42Å; N572-V603 PolarHBondContact N-O 3.48Å; N572-N604 PolarHBondContact ND2-O 3.38Å; N572-N604 WeakPolarHBondContact OD1-CA 3.27Å; N572-N604 WeakPolarHBondContact OD1-CB 3.46Å |
| 573 | K | 95.8 | Very high | 97.2 | Very high | 142 Ų | 142 | 37.5 Ų | 37.5 | 62% | 0.617 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 18.6 | 177.1 | -59.6 | -61.2 | -175.6 | 175.3 | 0 | 114.1 | I570 V571 W575 P623 | I570-K573 WeakPolarHBondContact O-CB 3.47Å; I570-K573 PolarHBondContact O-N 2.86Å; V571-K573 PolarHBondContact O-N 3.48Å; K573-W575 VanDerWaalsContact C-N 3.29Å; K573-W575 PolarHBondContact O-N 2.82Å; K573-P623 WeakPolarHBondContact O-CG 3.33Å |
| 574 | G | 94.5 | Very high | 97 | Very high | 53 Ų | 53 | 33.6 Ų | 33.6 | 55% | 0.546 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 3.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 575 | W | 97.5 | Very high | 96.7 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | trans | -65.4 | 150.8 | 171.8 | -76.2 | 71.4 | 0 | 0 | 0 | 111.7 | I539 V541 I550 I570 K573 V603 L620 V621 A622 T626 A628 | I539-W575 HydrophobicContact CG2-CH2 3.53Å; I539-W575 HydrophobicContact CG2-CZ2 4.33Å; I539-W575 HydrophobicContact CG2-CZ3 4.14Å; V541-W575 HydrophobicContact CG1-CH2 3.68Å; V541-W575 HydrophobicContact CG1-CZ2 3.88Å; I550-W575 HydrophobicContact CD1-CH2 3.9Å; I550-W575 HydrophobicContact CD1-CZ3 3.81Å; I570-W575 HydrophobicContact CB-CD2 4.17Å; I570-W575 HydrophobicContact CB-CG 3.98Å; I570-W575 HydrophobicContact CD1-CD2 3.98Å; I570-W575 HydrophobicContact CD1-CE3 4.06Å; I570-W575 HydrophobicContact CD1-CG 4.31Å; I570-W575 HydrophobicContact CD1-CZ3 4.47Å; I570-W575 HydrophobicContact CG2-CD2 4.41Å; I570-W575 HydrophobicContact CG2-CZ2 4.09Å; K573-W575 VanDerWaalsContact C-N 3.29Å; K573-W575 PolarHBondContact O-N 2.82Å; W575-V603 HydrophobicContact CB-CB 3.9Å; W575-V603 HydrophobicContact CB-CG2 3.84Å; W575-V603 WeakPolarHBondContact O-CB 3.41Å; W575-V603 WeakPolarHBondContact O-CG2 3.34Å; W575-V603 PolarHBondContact O-N 2.98Å; W575-L620 HydrophobicContact CE3-CB 4.45Å; W575-L620 HydrophobicContact CZ3-CB 4.19Å; W575-V621 WeakPolarHBondContact CA-O 3.26Å; W575-A622 HydrophobicContact CD2-CB 4.4Å; W575-A622 HydrophobicContact CE3-CB 4.15Å; W575-A622 HydrophobicContact CH2-CB 3.52Å; W575-A622 HydrophobicContact CZ2-CB 3.79Å; W575-A622 HydrophobicContact CZ3-CB 3.7Å; W575-T626 HydrophobicContact CZ2-CG2 3.57Å; W575-A628 HydrophobicContact CZ2-CB 4.29Å | ||
| 576 | Q | 98 | Very high | 96.5 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 28% | 0.276 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 157.4 | 175.7 | -50.6 | -173.8 | -62.9 | 0 | 0 | 110.9 | F601 V621 | Q576-F601 CarbonylContact C-O 3.23Å; Q576-F601 VanDerWaalsContact CA-O 3.22Å; Q576-F601 WeakPolarHBondContact CA-O 3.31Å; Q576-V621 HydrophobicContact CB-CB 4.2Å; Q576-V621 PolarHBondContact N-O 3.22Å; Q576-V621 VanDerWaalsContact N-O 3.09Å; Q576-V621 PolarHBondContact O-N 3.01Å |
| 577 | I | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.5 | 165.8 | -57.2 | 166.9 | 0 | 0 | 0 | 107 | V564 I566 I579 R600 F601 V603 I608 V610 I618 Y619 L620 | V564-I577 HydrophobicContact CB-CD1 3.8Å; V564-I577 HydrophobicContact CG1-CD1 4.07Å; V564-I577 HydrophobicContact CG2-CD1 4.01Å; I566-I577 HydrophobicContact CD1-CD1 4.21Å; I566-I577 HydrophobicContact CG1-CD1 4.44Å; I577-I579 HydrophobicContact CG2-CD1 4.19Å; I577-R600 CarbonylContact O-C 3.58Å; I577-R600 VanDerWaalsContact O-CA 3.32Å; I577-R600 WeakPolarHBondContact O-CA 3.18Å; I577-F601 HydrophobicContact CB-CB 4.41Å; I577-F601 PolarHBondContact N-O 3.07Å; I577-F601 PolarHBondContact O-N 3Å; I577-V603 HydrophobicContact CG1-CG2 4.08Å; I577-I608 HydrophobicContact CD1-CB 4.18Å; I577-I608 HydrophobicContact CD1-CD1 3.9Å; I577-I608 HydrophobicContact CD1-CG2 4.28Å; I577-V610 HydrophobicContact CB-CG1 4.34Å; I577-V610 HydrophobicContact CD1-CG1 3.98Å; I577-V610 HydrophobicContact CG2-CG1 4.15Å; I577-I618 HydrophobicContact CG2-CG2 4.08Å; I577-Y619 CarbonylContact C-O 3.15Å; I577-Y619 WeakPolarHBondContact CA-O 3.29Å; I577-L620 HydrophobicContact CG1-CD2 3.98Å |
| 578 | Q | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.5 | 175 | -173 | 176.3 | -68 | 0 | 0 | 110.7 | G580 V599 R600 I618 Y619 V621 | Q578-G580 PolarHBondContact NE2-O 2.9Å; Q578-V599 WeakPolarHBondContact CA-O 3.28Å; Q578-R600 HydrophobicContact CB-CG 4.07Å; Q578-R600 HydrophobicContact CG-CG 3.95Å; Q578-R600 VanDerWaalsContact OE1-NH2 3.11Å; Q578-I618 WeakPolarHBondContact O-CA 3.43Å; Q578-Y619 HydrophobicContact CB-CD2 4.43Å; Q578-Y619 PolarHBondContact N-O 3.15Å; Q578-Y619 PolarHBondContact O-N 3.31Å; Q578-V621 HydrophobicContact CB-CG2 3.94Å |
| 579 | I | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.5 | 169.9 | -47 | -61 | 0 | 0 | 0 | 107.9 | L556 I577 H598 V599 F601 V610 N612 L617 I618 | L556-I579 HydrophobicContact CB-CG2 4.46Å; L556-I579 HydrophobicContact CD1-CD1 3.82Å; L556-I579 HydrophobicContact CD1-CG1 4.29Å; L556-I579 HydrophobicContact CD1-CG2 4.24Å; I577-I579 HydrophobicContact CG2-CD1 4.19Å; I579-H598 CarbonylContact O-C 3.53Å; I579-H598 WeakPolarHBondContact O-CA 3.41Å; I579-V599 HydrophobicContact CB-CG1 3.96Å; I579-V599 HydrophobicContact CG1-CG1 4.32Å; I579-V599 PolarHBondContact N-O 2.82Å; I579-V599 PolarHBondContact O-N 2.87Å; I579-F601 HydrophobicContact CG1-CD2 4.41Å; I579-F601 HydrophobicContact CG1-CE2 4.03Å; I579-V610 HydrophobicContact CD1-CB 4.39Å; I579-V610 HydrophobicContact CD1-CG2 4.1Å; I579-V610 HydrophobicContact CG1-CB 4.47Å; I579-N612 HydrophobicContact CB-CB 4.05Å; I579-N612 HydrophobicContact CG2-CB 3.64Å; I579-L617 CarbonylContact C-O 3.57Å; I579-L617 WeakPolarHBondContact CA-O 3.46Å; I579-I618 HydrophobicContact CD1-CB 4.2Å; I579-I618 HydrophobicContact CD1-CG1 3.9Å; I579-I618 HydrophobicContact CD1-CG2 3.93Å |
| 580 | G | 98 | Very high | 95.6 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 105.7 | 140.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q578 L617 Y619 | Q578-G580 PolarHBondContact NE2-O 2.9Å; G580-L617 PolarHBondContact N-O 3.47Å; G580-Y619 WeakPolarHBondContact O-CE2 3.37Å |
| 581 | C | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -89.5 | -14 | -176.6 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | W549 L617 Y619 T675 V718 | W549-C581 WeakPolarHBondContact CZ3-O 3.46Å; C581-L617 HydrophobicContact CB-CD1 4.42Å; C581-Y619 HydrophobicContact CB-CE2 4.09Å; C581-Y619 WeakPolarHBondContact CB-OH 3.46Å; C581-T675 HydrophobicContact CB-CG2 3.82Å; C581-V718 HydrophobicContact CB-CG2 4.16Å; C581-V718 WeakPolarHBondContact O-CG2 3.37Å |
| 582 | Q | 96.6 | Very high | 95.6 | Very high | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | trans | -83 | 158.2 | -177.6 | -59.2 | 78.8 | 0.9 | 0 | 0 | 112 | V597 H598 W664 V718 D720 M735 | Q582-V597 HydrophobicContact CB-CG2 3.99Å; Q582-V597 HydrophobicContact CG-CG2 3.8Å; Q582-H598 VanDerWaalsContact O-CB 3.29Å; Q582-H598 WeakPolarHBondContact O-CB 3.23Å; Q582-H598 PolarHBondContact O-ND1 2.9Å; Q582-W664 VanDerWaalsContact NE2-CZ2 3.26Å; Q582-V718 HydrophobicContact CG-CG1 4.44Å; Q582-D720 WeakPolarHBondContact CG-OD2 3.36Å; Q582-M735 HydrophobicContact CB-CE 4.35Å; Q582-M735 HydrophobicContact CG-CE 4.09Å | ||
| 583 | T | 93.8 | Very high | 95.6 | Very high | 48 Ų | 48 | 42.1 Ų | 42.1 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | trans | -122 | -10.8 | 164 | 52 | 0 | 0 | 0 | 0 | 113.1 | W549 | W549-T583 HydrophobicContact CH2-CG2 3.67Å; W549-T583 HydrophobicContact CZ2-CG2 3.66Å | ||
| 584 | D | 94.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | trans | -63.8 | 138.7 | -175.4 | -87.2 | 9.7 | 0 | 0 | 0 | 113.4 | L586 I723 S724 H729 M735 | D584-L586 HydrophobicContact CB-CD2 4.39Å; D584-I723 WeakPolarHBondContact OD2-CA 3.41Å; D584-S724 PolarHBondContact OD1-OG 2.84Å; D584-S724 WeakPolarHBondContact OD2-CB 3.14Å; D584-S724 PolarHBondContact OD2-N 2.81Å; D584-S724 PolarHBondContact OD2-OG 3.42Å; D584-H729 IonicContact OD1-CE1 3.84Å; D584-H729 PolarHBondContact OD1-CE1 3.42Å; D584-H729 VanDerWaalsContact OD1-CE1 3.23Å; D584-H729 IonicContact OD1-NE2 2.61Å; D584-H729 PolarHBondContact OD1-NE2 3.47Å; D584-H729 IonicContact OD2-CE1 3.43Å; D584-H729 IonicContact OD2-NE2 3.71Å; D584-H729 PolarHBondContact OD2-NE2 3.05Å; D584-H729 VanDerWaalsContact OD2-NE2 3.16Å; D584-M735 HydrophobicContact CB-CE 4.43Å | ||
| 585 | H | 93.1 | Very high | 95.5 | Very high | 133 Ų | 133 | 34.6 Ų | 34.6 | 62% | 0.616 | 19% | 0.192 | S | C | * | . | trans | -110 | 109.9 | 164.7 | -166.5 | 82.5 | 0 | 0 | 0 | 109.5 | S595 | H585-S595 WeakPolarHBondContact CA-O 3.45Š| ||
| 586 | L | 94.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | trans | -81.7 | 130.5 | -176.1 | -51.7 | 177.1 | 0 | 0 | 0 | 111.8 | D584 L591 R593 S595 Q722 I723 | D584-L586 HydrophobicContact CB-CD2 4.39Å; L586-L591 HydrophobicContact CB-CD2 3.67Å; L586-L591 HydrophobicContact CD1-CD2 3.93Å; L586-L591 HydrophobicContact CG-CD2 4.49Å; L586-R593 HydrophobicContact CD1-CG 3.76Å; L586-R593 VanDerWaalsContact CD1-CZ 3.48Å; L586-S595 PolarHBondContact N-O 2.74Å; L586-S595 VanDerWaalsContact O-CB 3.31Å; L586-S595 WeakPolarHBondContact O-CB 3.3Å; L586-S595 PolarHBondContact O-OG 3.37Å; L586-Q722 HydrophobicContact CD1-CB 4.11Å; L586-Q722 HydrophobicContact CD1-CG 3.8Å; L586-Q722 HydrophobicContact CD2-CG 4.3Å; L586-I723 VanDerWaalsContact CD2-C 3.44Å | ||
| 587 | N | 89.4 | Confident | 95.2 | Very high | 163 Ų | 163 | 34.3 Ų | 34.3 | 87% | 0.872 | 20% | 0.197 | S | C | * | . | trans | -124.8 | 78.8 | 168.8 | -176.5 | 21.7 | 0 | 0 | 0 | 109.4 | ||||
| 588 | A | 91.7 | Very high | 95.1 | Very high | 36 Ų | 36 | 36.5 Ų | 36.5 | 30% | 0.298 | 21% | 0.207 | S | C | . | . | trans | -129.2 | 150.1 | -176 | 0 | 0 | 0 | 0 | 0 | 111.1 | H499 E590 L591 | H499-A588 PolarHBondContact CE1-O 3.18Å; H499-A588 VanDerWaalsContact CE1-O 3.3Å; A588-E590 VanDerWaalsContact C-N 3.26Å; A588-E590 WeakPolarHBondContact CB-O 3.47Å; A588-E590 PolarHBondContact O-N 3.28Å; A588-L591 HydrophobicContact CB-CD2 4.3Å | ||
| 589 | A | 92.1 | Very high | 95 | Very high | 73 Ų | 73 | 38.2 Ų | 38.2 | 60% | 0.603 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -65.5 | -32.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H499 | H499-A589 PolarHBondContact NE2-O 3.24Š|
| 590 | E | 95.6 | Very high | 94.9 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 33% | 0.327 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -112.5 | 124.2 | 174 | -173.3 | -179.2 | 125.8 | 0 | 0 | 109.4 | P492 V493 K494 A588 Q722 | P492-E590 HydrophobicContact CB-CG 3.57Å; P492-E590 HydrophobicContact CG-CG 4.21Å; V493-E590 WeakPolarHBondContact O-CA 3.5Å; K494-E590 WeakPolarHBondContact CE-OE2 3.26Å; K494-E590 HydrophobicContact CG-CG 4.06Å; K494-E590 IonicContact NZ-OE2 3.43Å; K494-E590 PolarHBondContact NZ-OE2 3.46Å; A588-E590 VanDerWaalsContact C-N 3.26Å; A588-E590 WeakPolarHBondContact CB-O 3.47Å; A588-E590 PolarHBondContact O-N 3.28Å; E590-Q722 PolarHBondContact O-NE2 2.94Å |
| 591 | L | 96.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -113.8 | 121.2 | 177.7 | -72.4 | 176.2 | 0 | 0 | 0 | 110.7 | V487 P492 V493 H499 L502 L586 A588 | V487-L591 WeakPolarHBondContact CG2-O 2.95Å; P492-L591 CarbonylContact C-O 3.6Å; P492-L591 WeakPolarHBondContact CA-O 3.38Å; V493-L591 HydrophobicContact CB-CB 4.24Å; V493-L591 PolarHBondContact N-O 2.86Å; V493-L591 PolarHBondContact O-N 2.81Å; H499-L591 VanDerWaalsContact CE1-CD1 3.43Å; H499-L591 WeakPolarHBondContact CE1-CD1 3.33Å; H499-L591 WeakPolarHBondContact ND1-CD1 3.35Å; L502-L591 HydrophobicContact CD2-CD1 4.12Å; L586-L591 HydrophobicContact CB-CD2 3.67Å; L586-L591 HydrophobicContact CD1-CD2 3.93Å; L586-L591 HydrophobicContact CG-CD2 4.49Å; A588-L591 HydrophobicContact CB-CD2 4.3Å |
| 592 | K | 97.1 | Very high | 94.8 | Very high | 52 Ų | 52 | 47 Ų | 47 | 23% | 0.226 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -95.4 | -6.2 | 173.5 | -62.5 | 175.7 | 180 | -178.2 | 0 | 112.8 | V487 S488 E489 P492 V721 Q722 | V487-K592 VanDerWaalsContact CG2-C 3.48Å; S488-K592 CarbonylContact C-O 3.58Å; S488-K592 VanDerWaalsContact CA-O 3.23Å; S488-K592 WeakPolarHBondContact CA-O 3.47Å; E489-K592 HydrophobicContact CG-CD 4.42Å; P492-K592 HydrophobicContact CB-CG 4.14Å; K592-V721 HydrophobicContact CB-CG2 4.21Å; K592-Q722 HydrophobicContact CB-CB 4.2Å |
| 593 | R | 96 | Very high | 94.8 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 6% | 0.064 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -151.4 | 171.4 | 166 | 61 | 164.8 | 178.3 | 84.2 | -6.3 | 109.6 | L586 S595 D720 V721 Q722 | L586-R593 HydrophobicContact CD1-CG 3.76Å; L586-R593 VanDerWaalsContact CD1-CZ 3.48Å; R593-S595 PolarHBondContact NH1-O 3.16Å; R593-D720 IonicContact CZ-OD2 3.77Å; R593-D720 VanDerWaalsContact CZ-OD2 3.3Å; R593-D720 IonicContact NE-OD1 2.73Å; R593-D720 IonicContact NE-OD2 2.83Å; R593-D720 PolarHBondContact NE-OD2 3.13Å; R593-D720 IonicContact NH2-OD2 2.84Å; R593-D720 PolarHBondContact NH2-OD2 3.49Å; R593-V721 HydrophobicContact CB-CG1 3.98Å; R593-V721 HydrophobicContact CG-CG1 4.01Å; R593-Q722 HydrophobicContact CG-CB 4.37Å; R593-Q722 PolarHBondContact NE-O 3.01Å; R593-Q722 VanDerWaalsContact NE-O 3.09Å; R593-Q722 PolarHBondContact NH2-O 3.27Å |
| 594 | A | 95.3 | Very high | 95 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | trans | -59.9 | 150.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L502 C596 V597 W614 | L502-A594 HydrophobicContact CD1-CB 4.28Å; L502-A594 HydrophobicContact CD2-CB 4.49Å; L502-A594 HydrophobicContact CG-CB 4.38Å; A594-C596 VanDerWaalsContact C-N 3.3Å; A594-C596 PolarHBondContact O-N 2.84Å; A594-V597 HydrophobicContact CB-CG1 3.96Å; A594-W614 HydrophobicContact CB-CD2 4.25Å; A594-W614 HydrophobicContact CB-CH2 3.76Å; A594-W614 HydrophobicContact CB-CZ2 3.25Å; A594-W614 HydrophobicContact CB-CZ3 4.42Å | ||
| 595 | S | 92.9 | Very high | 95.1 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -57.2 | -41.9 | -176 | -67 | 0 | 0 | 0 | 0 | 113 | H585 L586 R593 | H585-S595 WeakPolarHBondContact CA-O 3.45Å; L586-S595 PolarHBondContact N-O 2.74Å; L586-S595 VanDerWaalsContact O-CB 3.31Å; L586-S595 WeakPolarHBondContact O-CB 3.3Å; L586-S595 PolarHBondContact O-OG 3.37Å; R593-S595 PolarHBondContact NH1-O 3.16Å |
| 596 | C | 93.6 | Very high | 95.4 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 30% | 0.297 | 28% | 0.277 | S | S | . | . | trans | -128.4 | 125.9 | 173.6 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | A594 H598 W614 | A594-C596 VanDerWaalsContact C-N 3.3Å; A594-C596 PolarHBondContact O-N 2.84Å; C596-H598 PolarHBondContact SG-ND1 3.44Å; C596-H598 PolarHBondContact SG-O 2.88Å; C596-W614 PolarHBondContact O-NE1 3.06Å | ||
| 597 | V | 96 | Very high | 95.5 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 10% | 0.097 | 30% | 0.296 | C | S | . | . | trans | -118.5 | 5.8 | -178.6 | -65.5 | 0 | 0 | 0 | 0 | 113.2 | Q582 A594 N612 W614 | Q582-V597 HydrophobicContact CB-CG2 3.99Å; Q582-V597 HydrophobicContact CG-CG2 3.8Å; A594-V597 HydrophobicContact CB-CG1 3.96Å; V597-N612 PolarHBondContact O-ND2 2.95Å; V597-W614 HydrophobicContact CB-CB 4.31Å; V597-W614 HydrophobicContact CB-CG 4.25Å; V597-W614 HydrophobicContact CG1-CB 4.45Å; V597-W614 HydrophobicContact CG1-CD2 4.43Å; V597-W614 HydrophobicContact CG1-CG 4.06Å | ||
| 598 | H | 96.1 | Very high | 95.9 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | trans | -115.4 | 156 | 176.7 | 77.7 | -82.1 | 0 | 0 | 0 | 111.4 | I579 Q582 C596 | I579-H598 CarbonylContact O-C 3.53Å; I579-H598 WeakPolarHBondContact O-CA 3.41Å; Q582-H598 VanDerWaalsContact O-CB 3.29Å; Q582-H598 WeakPolarHBondContact O-CB 3.23Å; Q582-H598 PolarHBondContact O-ND1 2.9Å; C596-H598 PolarHBondContact SG-ND1 3.44Å; C596-H598 PolarHBondContact SG-O 2.88Å | ||
| 599 | V | 95.6 | Very high | 96.2 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 146 | 174.7 | 58.5 | 0 | 0 | 0 | 0 | 109.6 | Q578 I579 F601 N612 | Q578-V599 WeakPolarHBondContact CA-O 3.28Å; I579-V599 HydrophobicContact CB-CG1 3.96Å; I579-V599 HydrophobicContact CG1-CG1 4.32Å; I579-V599 PolarHBondContact N-O 2.82Å; I579-V599 PolarHBondContact O-N 2.87Å; V599-F601 HydrophobicContact CB-CE2 4.39Å; V599-F601 HydrophobicContact CG1-CE2 3.61Å; V599-F601 HydrophobicContact CG1-CZ 4.09Å; V599-F601 HydrophobicContact CG2-CE2 3.94Å; V599-F601 HydrophobicContact CG2-CZ 3.95Å; V599-N612 HydrophobicContact CG1-CB 3.77Å |
| 600 | R | 96.1 | Very high | 96.5 | Very high | 70 Ų | 70 | 45.7 Ų | 45.7 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.8 | 175.3 | -65.2 | -167.5 | 178.3 | -171.4 | -3.4 | 111 | E547 I577 Q578 | E547-R600 IonicContact OE1-CZ 3.54Å; E547-R600 IonicContact OE1-NH1 2.62Å; E547-R600 PolarHBondContact OE1-NH1 3.09Å; E547-R600 IonicContact OE1-NH2 3.55Å; E547-R600 PolarHBondContact OE1-NH2 3.3Å; E547-R600 IonicContact OE2-CZ 3.14Å; E547-R600 IonicContact OE2-NH1 3.7Å; E547-R600 PolarHBondContact OE2-NH1 3.41Å; E547-R600 IonicContact OE2-NH2 3.61Å; I577-R600 CarbonylContact O-C 3.58Å; I577-R600 VanDerWaalsContact O-CA 3.32Å; I577-R600 WeakPolarHBondContact O-CA 3.18Å; Q578-R600 HydrophobicContact CB-CG 4.07Å; Q578-R600 HydrophobicContact CG-CG 3.95Å; Q578-R600 VanDerWaalsContact OE1-NH2 3.11Å |
| 601 | F | 97.1 | Very high | 96.5 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 19% | 0.193 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.3 | 175.8 | -62.9 | -89.1 | 0 | 0 | 0 | 109.2 | Q576 I577 I579 V599 I608 V610 S611 | Q576-F601 CarbonylContact C-O 3.23Å; Q576-F601 VanDerWaalsContact CA-O 3.22Å; Q576-F601 WeakPolarHBondContact CA-O 3.31Å; I577-F601 HydrophobicContact CB-CB 4.41Å; I577-F601 PolarHBondContact N-O 3.07Å; I577-F601 PolarHBondContact O-N 3Å; I579-F601 HydrophobicContact CG1-CD2 4.41Å; I579-F601 HydrophobicContact CG1-CE2 4.03Å; V599-F601 HydrophobicContact CB-CE2 4.39Å; V599-F601 HydrophobicContact CG1-CE2 3.61Å; V599-F601 HydrophobicContact CG1-CZ 4.09Å; V599-F601 HydrophobicContact CG2-CE2 3.94Å; V599-F601 HydrophobicContact CG2-CZ 3.95Å; F601-I608 HydrophobicContact CB-CG2 4.38Å; F601-V610 HydrophobicContact CB-CG1 4.03Å; F601-V610 HydrophobicContact CD1-CG1 4.28Å; F601-V610 HydrophobicContact CD2-CB 3.84Å; F601-V610 HydrophobicContact CD2-CG1 3.62Å; F601-V610 HydrophobicContact CE2-CB 3.85Å; F601-V610 HydrophobicContact CE2-CG1 4.15Å; F601-V610 HydrophobicContact CG-CB 4.31Å; F601-V610 HydrophobicContact CG-CG1 3.71Å; F601-V610 HydrophobicContact CZ-CB 4.34Å; F601-S611 WeakPolarHBondContact CE2-O 3.2Å; F601-S611 WeakPolarHBondContact CZ-O 3.24Å |
| 602 | P | 96.8 | Very high | 96.4 | Very high | 72 Ų | 72 | 44.3 Ų | 44.3 | 47% | 0.468 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 140.6 | 175.8 | 29.4 | -34.1 | 0 | 0 | 0 | 110.7 | N604 | P602-N604 PolarHBondContact O-N 2.87Å; P602-N604 VanDerWaalsContact O-N 3.15Å |
| 603 | V | 97.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | trans | -82.8 | 89 | 173.6 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | I566 V571 N572 W575 I577 I608 | I566-V603 HydrophobicContact CB-CG1 4.18Å; I566-V603 HydrophobicContact CG1-CG1 4.2Å; I566-V603 HydrophobicContact CG2-CG1 3.33Å; V571-V603 HydrophobicContact CG2-CG1 4.33Å; N572-V603 PolarHBondContact N-O 3.48Å; W575-V603 HydrophobicContact CB-CB 3.9Å; W575-V603 HydrophobicContact CB-CG2 3.84Å; W575-V603 WeakPolarHBondContact O-CB 3.41Å; W575-V603 WeakPolarHBondContact O-CG2 3.34Å; W575-V603 PolarHBondContact O-N 2.98Å; I577-V603 HydrophobicContact CG1-CG2 4.08Å; V603-I608 HydrophobicContact CB-CD1 3.98Å; V603-I608 HydrophobicContact CG1-CD1 3.93Å; V603-I608 HydrophobicContact CG2-CD1 3.9Å | ||
| 604 | N | 96.8 | Very high | 96.4 | Very high | 90 Ų | 90 | 43.6 Ų | 43.6 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | trans | -116.9 | -5.6 | -176.2 | 63.6 | 2.1 | 0 | 0 | 0 | 114.7 | N572 P602 | N572-N604 PolarHBondContact ND2-O 3.38Å; N572-N604 WeakPolarHBondContact OD1-CA 3.27Å; N572-N604 WeakPolarHBondContact OD1-CB 3.46Å; P602-N604 PolarHBondContact O-N 2.87Å; P602-N604 VanDerWaalsContact O-N 3.15Å | ||
| 605 | S | 97.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 43.4 Ų | 43.4 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -140.4 | 162.9 | 173.3 | 61.3 | 0 | 0 | 0 | 0 | 110.5 | M607 I608 | S605-M607 PolarHBondContact O-N 2.73Å; S605-M607 PolarHBondContact OG-O 3.41Å; S605-I608 WeakPolarHBondContact O-CG1 3.46Å; S605-I608 WeakPolarHBondContact OG-CG1 3.45Å |
| 606 | E | 98 | Very high | 96.7 | Very high | 118 Ų | 118 | 42.1 Ų | 42.1 | 55% | 0.551 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -69.6 | -16.5 | 173.1 | -67.1 | 179.5 | -165.2 | 0 | 0 | 112.9 | A565 I566 A568 V571 | A565-E606 CarbonylContact C-O 3.53Å; A565-E606 VanDerWaalsContact CA-O 3.31Å; A565-E606 WeakPolarHBondContact CA-O 3.35Å; I566-E606 PolarHBondContact N-O 3.23Å; A568-E606 HydrophobicContact CB-CG 4.44Å; V571-E606 HydrophobicContact CG2-CG 4.03Å |
| 607 | M | 98 | Very high | 97 | Very high | 83 Ų | 83 | 40.1 Ų | 40.1 | 41% | 0.409 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 112.1 | -179.8 | -75.2 | -61.4 | -64.5 | 0 | 0 | 109.4 | Y563 A565 S605 Q636 | Y563-M607 HydrophobicContact CD1-CE 4.13Å; Y563-M607 HydrophobicContact CG-CE 4.03Å; A565-M607 VanDerWaalsContact CA-SD 3.54Å; A565-M607 HydrophobicContact CB-SD 3.47Å; A565-M607 WeakPolarHBondContact CB-SD 3.38Å; S605-M607 PolarHBondContact O-N 2.73Å; S605-M607 PolarHBondContact OG-O 3.41Å; M607-Q636 VanDerWaalsContact CE-NE2 3.32Å |
| 608 | I | 97.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.6 | -173.8 | -54.5 | 170.6 | 0 | 0 | 0 | 108.9 | Y563 V564 I566 I577 F601 V603 S605 V610 | Y563-I608 CarbonylContact C-O 3.57Å; Y563-I608 VanDerWaalsContact CA-O 3.29Å; Y563-I608 WeakPolarHBondContact CA-O 3.3Å; V564-I608 PolarHBondContact N-O 3.12Å; V564-I608 PolarHBondContact O-N 2.79Å; I566-I608 HydrophobicContact CG1-CD1 3.98Å; I577-I608 HydrophobicContact CD1-CB 4.18Å; I577-I608 HydrophobicContact CD1-CD1 3.9Å; I577-I608 HydrophobicContact CD1-CG2 4.28Å; F601-I608 HydrophobicContact CB-CG2 4.38Å; V603-I608 HydrophobicContact CB-CD1 3.98Å; V603-I608 HydrophobicContact CG1-CD1 3.93Å; V603-I608 HydrophobicContact CG2-CD1 3.9Å; S605-I608 WeakPolarHBondContact O-CG1 3.46Å; S605-I608 WeakPolarHBondContact OG-CG1 3.45Å; I608-V610 HydrophobicContact CG2-CG1 3.87Å |
| 609 | Q | 97.5 | Very high | 97.2 | Very high | 99 Ų | 99 | 37.2 Ų | 37.2 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 128 | 169.7 | -162.6 | 177.6 | 40.3 | 0 | 0 | 109.6 | T562 Y563 | T562-Q609 WeakPolarHBondContact O-CA 3.33Å; Y563-Q609 HydrophobicContact CD1-CB 3.91Å; Y563-Q609 HydrophobicContact CD1-CG 4.42Å; Y563-Q609 HydrophobicContact CE1-CB 3.61Å; Y563-Q609 HydrophobicContact CE1-CG 4.1Å; Y563-Q609 HydrophobicContact CE2-CG 4.31Å |
| 610 | V | 97.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.2 | -179.8 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | L556 K561 T562 V564 I577 I579 F601 I608 | L556-V610 HydrophobicContact CD1-CG2 4.18Å; K561-V610 WeakPolarHBondContact CA-O 3.37Å; T562-V610 HydrophobicContact CG2-CG2 3.64Å; T562-V610 PolarHBondContact N-O 2.92Å; T562-V610 VanDerWaalsContact N-O 3.09Å; T562-V610 PolarHBondContact O-N 3.46Å; V564-V610 HydrophobicContact CG2-CG2 3.89Å; I577-V610 HydrophobicContact CB-CG1 4.34Å; I577-V610 HydrophobicContact CD1-CG1 3.98Å; I577-V610 HydrophobicContact CG2-CG1 4.15Å; I579-V610 HydrophobicContact CD1-CB 4.39Å; I579-V610 HydrophobicContact CD1-CG2 4.1Å; I579-V610 HydrophobicContact CG1-CB 4.47Å; F601-V610 HydrophobicContact CB-CG1 4.03Å; F601-V610 HydrophobicContact CD1-CG1 4.28Å; F601-V610 HydrophobicContact CD2-CB 3.84Å; F601-V610 HydrophobicContact CD2-CG1 3.62Å; F601-V610 HydrophobicContact CE2-CB 3.85Å; F601-V610 HydrophobicContact CE2-CG1 4.15Å; F601-V610 HydrophobicContact CG-CB 4.31Å; F601-V610 HydrophobicContact CG-CG1 3.71Å; F601-V610 HydrophobicContact CZ-CB 4.34Å; I608-V610 HydrophobicContact CG2-CG1 3.87Å |
| 611 | S | 95.8 | Very high | 97.4 | Very high | 31 Ų | 31 | 32.4 Ų | 32.4 | 22% | 0.217 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 162 | 173.8 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | M560 F601 | M560-S611 WeakPolarHBondContact O-CA 3.42Å; M560-S611 WeakPolarHBondContact O-CB 3.47Å; F601-S611 WeakPolarHBondContact CE2-O 3.2Å; F601-S611 WeakPolarHBondContact CZ-O 3.24Å |
| 612 | N | 96.1 | Very high | 97.4 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | trans | -145.6 | 134.9 | 171.4 | -173.4 | 6.6 | 0 | 0 | 0 | 108.8 | G559 I579 V597 V599 W614 G615 | G559-N612 PolarHBondContact N-O 2.77Å; I579-N612 HydrophobicContact CB-CB 4.05Å; I579-N612 HydrophobicContact CG2-CB 3.64Å; V597-N612 PolarHBondContact O-ND2 2.95Å; V599-N612 HydrophobicContact CG1-CB 3.77Å; N612-W614 PolarHBondContact O-N 2.99Å; N612-W614 PolarHBondContact OD1-N 2.86Å; N612-G615 PolarHBondContact ND2-O 3.31Å; N612-G615 PolarHBondContact O-N 3.08Å | ||
| 613 | L | 96.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -41 | 176.6 | 175.9 | 60.1 | 0 | 0 | 0 | 111 | M484 A506 Y509 L519 L522 I523 P558 G559 G615 | M484-L613 HydrophobicContact CE-CD2 4.28Å; A506-L613 HydrophobicContact CB-CD2 4.36Å; Y509-L613 HydrophobicContact CD1-CB 3.69Å; Y509-L613 HydrophobicContact CD1-CD1 4.16Å; Y509-L613 HydrophobicContact CD1-CG 4.4Å; Y509-L613 HydrophobicContact CD2-CD1 3.89Å; Y509-L613 HydrophobicContact CE1-CB 4.06Å; Y509-L613 HydrophobicContact CE1-CD1 4.41Å; Y509-L613 HydrophobicContact CE2-CD1 4.13Å; Y509-L613 HydrophobicContact CG-CB 4.15Å; Y509-L613 HydrophobicContact CG-CD1 3.89Å; Y509-L613 HydrophobicContact CG-CD2 4.46Å; Y509-L613 HydrophobicContact CG-CG 4.39Å; L519-L613 HydrophobicContact CD1-CD1 3.75Å; L522-L613 HydrophobicContact CB-CD1 4.07Å; L522-L613 HydrophobicContact CD1-CD1 3.81Å; L522-L613 HydrophobicContact CD1-CD2 4.07Å; I523-L613 HydrophobicContact CD1-CD1 4.41Å; I523-L613 HydrophobicContact CG1-CD1 3.95Å; P558-L613 CarbonylContact C-O 3.57Å; P558-L613 WeakPolarHBondContact CA-O 3.37Å; P558-L613 VanDerWaalsContact CB-O 3.23Å; P558-L613 WeakPolarHBondContact CB-O 3.46Å; G559-L613 PolarHBondContact N-O 2.77Å; L613-G615 VanDerWaalsContact C-N 3.33Å |
| 614 | W | 96.2 | Very high | 97.2 | Very high | 48 Ų | 48 | 30.6 Ų | 30.6 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -6.5 | -176.1 | -50.9 | 111.4 | 0 | 0 | 0 | 114 | M484 L502 A506 I523 A594 C596 V597 N612 | M484-W614 HydrophobicContact CE-CH2 3.32Å; M484-W614 HydrophobicContact CE-CZ2 4.32Å; M484-W614 HydrophobicContact CE-CZ3 3.64Å; M484-W614 HydrophobicContact SD-CH2 3.79Å; M484-W614 HydrophobicContact SD-CZ2 4.44Å; L502-W614 HydrophobicContact CD1-CH2 3.67Å; L502-W614 HydrophobicContact CD1-CZ2 4.3Å; A506-W614 HydrophobicContact CB-CZ2 4.04Å; I523-W614 HydrophobicContact CD1-CE3 4.19Å; I523-W614 HydrophobicContact CD1-CZ3 3.98Å; A594-W614 HydrophobicContact CB-CD2 4.25Å; A594-W614 HydrophobicContact CB-CH2 3.76Å; A594-W614 HydrophobicContact CB-CZ2 3.25Å; A594-W614 HydrophobicContact CB-CZ3 4.42Å; C596-W614 PolarHBondContact O-NE1 3.06Å; V597-W614 HydrophobicContact CB-CB 4.31Å; V597-W614 HydrophobicContact CB-CG 4.25Å; V597-W614 HydrophobicContact CG1-CB 4.45Å; V597-W614 HydrophobicContact CG1-CD2 4.43Å; V597-W614 HydrophobicContact CG1-CG 4.06Å; N612-W614 PolarHBondContact O-N 2.99Å; N612-W614 PolarHBondContact OD1-N 2.86Å |
| 615 | G | 96.6 | Very high | 97 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | trans | 67.7 | -163.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L556 N612 L613 | L556-G615 CarbonylContact O-C 3.55Å; L556-G615 WeakPolarHBondContact O-CA 3.46Å; N612-G615 PolarHBondContact ND2-O 3.31Å; N612-G615 PolarHBondContact O-N 3.08Å; L613-G615 VanDerWaalsContact C-N 3.33Å | ||
| 616 | G | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.9 | 163.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y555 L556 | Y555-G616 WeakPolarHBondContact CA-O 3.38Å; Y555-G616 WeakPolarHBondContact CD2-O 3.45Å; Y555-G616 VanDerWaalsContact CE2-CA 3.48Å; L556-G616 PolarHBondContact N-O 3.39Å; L556-G616 PolarHBondContact O-N 2.91Å |
| 617 | L | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 144.2 | 170.9 | -71.1 | 172.9 | 0 | 0 | 0 | 110.5 | L554 I579 G580 C581 Y619 A641 W664 E666 T675 | L554-L617 CarbonylContact O-C 3.58Å; L554-L617 WeakPolarHBondContact O-CA 3.28Å; L554-L617 WeakPolarHBondContact O-CD2 3.45Å; I579-L617 CarbonylContact C-O 3.57Å; I579-L617 WeakPolarHBondContact CA-O 3.46Å; G580-L617 PolarHBondContact N-O 3.47Å; C581-L617 HydrophobicContact CB-CD1 4.42Å; L617-Y619 HydrophobicContact CB-CE2 3.59Å; L617-Y619 WeakPolarHBondContact CB-OH 3.47Å; L617-Y619 WeakPolarHBondContact CD1-OH 3.25Å; L617-Y619 WeakPolarHBondContact O-CE2 3.27Å; L617-A641 HydrophobicContact CD2-CB 3.59Å; L617-W664 HydrophobicContact CD1-CB 3.67Å; L617-W664 HydrophobicContact CD1-CG 4.48Å; L617-W664 HydrophobicContact CD2-CB 4.2Å; L617-W664 HydrophobicContact CG-CB 3.79Å; L617-E666 HydrophobicContact CD1-CG 3.79Å; L617-T675 HydrophobicContact CD1-CG2 3.87Å |
| 618 | I | 98.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 131.2 | 179.6 | -48.3 | 178.8 | 0 | 0 | 0 | 109.2 | T552 L554 L556 I577 Q578 I579 V635 A638 | T552-I618 WeakPolarHBondContact CB-O 3.38Å; T552-I618 HydrophobicContact CG2-CB 4.42Å; T552-I618 HydrophobicContact CG2-CG2 4.34Å; T552-I618 WeakPolarHBondContact CG2-O 3.35Å; T552-I618 PolarHBondContact OG1-O 2.77Å; L554-I618 HydrophobicContact CB-CB 4.49Å; L554-I618 HydrophobicContact CB-CD1 3.93Å; L554-I618 HydrophobicContact CB-CG1 4.3Å; L554-I618 PolarHBondContact O-N 2.87Å; L556-I618 HydrophobicContact CD1-CD1 4.38Å; L556-I618 HydrophobicContact CD2-CD1 3.86Å; L556-I618 HydrophobicContact CG-CD1 3.79Å; L556-I618 HydrophobicContact CG-CG1 4.01Å; I577-I618 HydrophobicContact CG2-CG2 4.08Å; Q578-I618 WeakPolarHBondContact O-CA 3.43Å; I579-I618 HydrophobicContact CD1-CB 4.2Å; I579-I618 HydrophobicContact CD1-CG1 3.9Å; I579-I618 HydrophobicContact CD1-CG2 3.93Å; I618-V635 HydrophobicContact CD1-CG1 3.91Å; I618-A638 HydrophobicContact CD1-CB 4.01Å |
| 619 | Y | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144 | 175.6 | -55.6 | -84.2 | 0 | 0 | 0 | 111.1 | W549 I550 I577 Q578 G580 C581 L617 E666 | W549-Y619 HydrophobicContact CB-CD1 4.29Å; W549-Y619 HydrophobicContact CE3-CD1 4.14Å; W549-Y619 HydrophobicContact CE3-CD2 4.28Å; W549-Y619 HydrophobicContact CE3-CE1 4.29Å; W549-Y619 HydrophobicContact CE3-CE2 4.44Å; W549-Y619 HydrophobicContact CE3-CG 4.13Å; W549-Y619 HydrophobicContact CZ3-CE2 4.49Å; I550-Y619 WeakPolarHBondContact O-CA 3.22Å; I577-Y619 CarbonylContact C-O 3.15Å; I577-Y619 WeakPolarHBondContact CA-O 3.29Å; Q578-Y619 HydrophobicContact CB-CD2 4.43Å; Q578-Y619 PolarHBondContact N-O 3.15Å; Q578-Y619 PolarHBondContact O-N 3.31Å; G580-Y619 WeakPolarHBondContact O-CE2 3.37Å; C581-Y619 HydrophobicContact CB-CE2 4.09Å; C581-Y619 WeakPolarHBondContact CB-OH 3.46Å; L617-Y619 HydrophobicContact CB-CE2 3.59Å; L617-Y619 WeakPolarHBondContact CB-OH 3.47Å; L617-Y619 WeakPolarHBondContact CD1-OH 3.25Å; L617-Y619 WeakPolarHBondContact O-CE2 3.27Å; Y619-E666 WeakPolarHBondContact CE1-OE1 3.48Å |
| 620 | L | 98.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 127.2 | 159.4 | -56.3 | 175.3 | 0 | 0 | 0 | 107.9 | V537 I539 I550 I566 W575 I577 A633 | V537-L620 HydrophobicContact CG1-CD1 3.92Å; I539-L620 HydrophobicContact CD1-CD1 3.6Å; I539-L620 HydrophobicContact CG1-CD1 3.63Å; I550-L620 HydrophobicContact CB-CB 4.2Å; I550-L620 HydrophobicContact CD1-CB 4.42Å; I550-L620 PolarHBondContact N-O 2.81Å; I550-L620 PolarHBondContact O-N 3.41Å; I550-L620 VanDerWaalsContact O-N 3.16Å; I566-L620 HydrophobicContact CD1-CD2 4.09Å; W575-L620 HydrophobicContact CE3-CB 4.45Å; W575-L620 HydrophobicContact CZ3-CB 4.19Å; I577-L620 HydrophobicContact CG1-CD2 3.98Å; L620-A633 HydrophobicContact CD1-CB 4Å |
| 621 | V | 97.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 108.5 | -178.7 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | E547 W549 W575 Q576 Q578 | E547-V621 HydrophobicContact CB-CG1 4.13Å; E547-V621 HydrophobicContact CG-CG1 4.44Å; W549-V621 HydrophobicContact CG-CG2 4.25Å; W575-V621 WeakPolarHBondContact CA-O 3.26Å; Q576-V621 HydrophobicContact CB-CB 4.2Å; Q576-V621 PolarHBondContact N-O 3.22Å; Q576-V621 VanDerWaalsContact N-O 3.09Å; Q576-V621 PolarHBondContact O-N 3.01Å; Q578-V621 HydrophobicContact CB-CG2 3.94Å |
| 622 | A | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | V541 T543 E547 E548 W575 | V541-A622 HydrophobicContact CB-CB 4.45Å; V541-A622 HydrophobicContact CG1-CB 3.85Å; V541-A622 HydrophobicContact CG2-CB 3.99Å; T543-A622 HydrophobicContact CG2-CB 3.84Å; E547-A622 CarbonylContact C-O 3.6Å; E547-A622 WeakPolarHBondContact CA-O 3.32Å; E547-A622 WeakPolarHBondContact CB-O 3.48Å; E548-A622 PolarHBondContact N-O 3.04Å; E548-A622 PolarHBondContact O-N 2.88Å; W575-A622 HydrophobicContact CD2-CB 4.4Å; W575-A622 HydrophobicContact CE3-CB 4.15Å; W575-A622 HydrophobicContact CH2-CB 3.52Å; W575-A622 HydrophobicContact CZ2-CB 3.79Å; W575-A622 HydrophobicContact CZ3-CB 3.7Å |
| 623 | P | 95.8 | Very high | 95.9 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 166.2 | 177.3 | 26.6 | -27.1 | 0 | 0 | 0 | 111.1 | T543 K573 T626 | T543-P623 PolarHBondContact OG1-O 2.77Å; K573-P623 WeakPolarHBondContact O-CG 3.33Å; P623-T626 WeakPolarHBondContact CD-OG1 3.36Å; P623-T626 WeakPolarHBondContact CG-OG1 3.44Å; P623-T626 WeakPolarHBondContact O-CB 3.27Å; P623-T626 PolarHBondContact O-OG1 3.37Å |
| 624 | P | 94.1 | Very high | 96 | Very high | 59 Ų | 59 | 40.1 Ų | 40.1 | 38% | 0.383 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 152.7 | 173.2 | -23.5 | 32.7 | 0 | 0 | 0 | 112.9 | E544 T626 | E544-P624 CarbonylContact O-C 3.58Å; E544-P624 WeakPolarHBondContact O-CA 3.37Å; P624-T626 VanDerWaalsContact C-N 3.33Å; P624-T626 PolarHBondContact O-N 2.92Å |
| 625 | N | 92.9 | Very high | 96.1 | Very high | 131 Ų | 131 | 37.9 Ų | 37.9 | 70% | 0.701 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 40.5 | 176.8 | -50.1 | -61.7 | 0 | 0 | 0 | 114.1 | T543 E544 | T543-N625 VanDerWaalsContact O-CA 3.31Å; T543-N625 WeakPolarHBondContact O-CA 3.34Å; T543-N625 PolarHBondContact O-N 3.1Å; T543-N625 PolarHBondContact OG1-N 3.13Å; T543-N625 VanDerWaalsContact OG1-N 3.13Å; E544-N625 PolarHBondContact O-N 3.34Å |
| 626 | T | 92.9 | Very high | 96.2 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 12% | 0.117 | 22% | 0.222 | C | C | . | . | trans | -107.9 | 133.6 | -178 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | V541 S542 T543 W575 P623 P624 | V541-T626 HydrophobicContact CG1-CG2 4.09Å; S542-T626 CarbonylContact C-O 3.52Å; S542-T626 WeakPolarHBondContact CA-O 3.31Å; T543-T626 PolarHBondContact N-O 3.14Å; T543-T626 PolarHBondContact O-N 3.24Å; T543-T626 WeakPolarHBondContact OG1-CB 3.39Å; T543-T626 PolarHBondContact OG1-N 3.44Å; W575-T626 HydrophobicContact CZ2-CG2 3.57Å; P623-T626 WeakPolarHBondContact CD-OG1 3.36Å; P623-T626 WeakPolarHBondContact CG-OG1 3.44Å; P623-T626 WeakPolarHBondContact O-CB 3.27Å; P623-T626 PolarHBondContact O-OG1 3.37Å; P624-T626 VanDerWaalsContact C-N 3.33Å; P624-T626 PolarHBondContact O-N 2.92Å | ||
| 627 | Q | 92.8 | Very high | 96.2 | Very high | 139 Ų | 139 | 44.3 Ų | 44.3 | 65% | 0.65 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 119.8 | 170.3 | -64.4 | -66 | -36.2 | 0 | 0 | 108.4 | V541 S542 | V541-Q627 WeakPolarHBondContact O-CA 3.21Å; S542-Q627 VanDerWaalsContact CB-OE1 3.28Å; S542-Q627 PolarHBondContact OG-NE2 2.91Å; S542-Q627 PolarHBondContact OG-OE1 2.89Å |
| 628 | A | 92.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 12% | 0.116 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 133.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.4 | I539 D540 V541 W575 L631 | I539-A628 HydrophobicContact CG2-CB 4.15Å; D540-A628 CarbonylContact C-O 3.54Å; D540-A628 WeakPolarHBondContact CA-O 3.41Å; V541-A628 HydrophobicContact CG1-CB 4.17Å; V541-A628 PolarHBondContact N-O 2.82Å; V541-A628 PolarHBondContact O-N 3.16Å; W575-A628 HydrophobicContact CZ2-CB 4.29Å; A628-L631 HydrophobicContact CB-CD1 3.9Å; A628-L631 HydrophobicContact CB-CG 4.45Å |
| 629 | Q | 93.7 | Very high | 96.2 | Very high | 176 Ų | 176 | 44.3 Ų | 44.3 | 82% | 0.822 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -139 | 133.2 | -179.3 | -170.4 | 176.6 | 8 | 0 | 0 | 109.7 | L631 | Q629-L631 PolarHBondContact O-N 2.66Å |
| 630 | G | 92.6 | Very high | 96.1 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 45% | 0.454 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.2 | 5.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I539 D540 | I539-G630 PolarHBondContact O-N 2.91Å; D540-G630 PolarHBondContact OD1-N 3.45Å |
| 631 | L | 96.3 | Very high | 96.1 | Very high | 33 Ų | 33 | 45.9 Ų | 45.9 | 17% | 0.173 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 155.9 | 175.4 | -63.8 | -173 | 0 | 0 | 0 | 110.7 | I539 P567 D569 I570 A628 Q629 | I539-L631 HydrophobicContact CB-CB 3.93Å; I539-L631 HydrophobicContact CD1-CB 4.39Å; I539-L631 HydrophobicContact CG2-CB 4.34Å; I539-L631 PolarHBondContact N-O 2.83Å; I539-L631 PolarHBondContact O-N 2.77Å; P567-L631 HydrophobicContact CG-CB 4.14Å; P567-L631 HydrophobicContact CG-CD1 4.31Å; D569-L631 HydrophobicContact CB-CD1 3.94Å; D569-L631 HydrophobicContact CB-CD2 4.28Å; I570-L631 HydrophobicContact CG2-CD1 3.67Å; A628-L631 HydrophobicContact CB-CD1 3.9Å; A628-L631 HydrophobicContact CB-CG 4.45Å; Q629-L631 PolarHBondContact O-N 2.66Å |
| 632 | Q | 97.3 | Very high | 96.2 | Very high | 74 Ų | 74 | 45.8 Ų | 45.8 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 129.7 | -177.3 | -63.3 | -179.7 | 8.5 | 0 | 0 | 110.8 | R536 V537 P567 F634 | R536-Q632 HydrophobicContact CG-CB 4.42Å; R536-Q632 HydrophobicContact CG-CG 4.38Å; V537-Q632 WeakPolarHBondContact O-CA 3.34Å; P567-Q632 VanDerWaalsContact CD-O 3.3Å; P567-Q632 WeakPolarHBondContact CD-O 3.3Å; Q632-F634 HydrophobicContact CB-CE2 4.08Å; Q632-F634 HydrophobicContact CB-CZ 4.28Å |
| 633 | A | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 158 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V537 I539 A565 I566 L620 | V537-A633 HydrophobicContact CB-CB 4.44Å; V537-A633 PolarHBondContact N-O 3.02Å; V537-A633 PolarHBondContact O-N 2.96Å; I539-A633 HydrophobicContact CD1-CB 4.02Å; A565-A633 CarbonylContact O-C 3.5Å; A565-A633 WeakPolarHBondContact O-CA 3.38Å; A565-A633 WeakPolarHBondContact O-CB 3.4Å; I566-A633 HydrophobicContact CD1-CB 4.05Å; L620-A633 HydrophobicContact CD1-CB 4Å |
| 634 | F | 98.4 | Very high | 96.4 | Very high | 65 Ų | 65 | 47 Ų | 47 | 29% | 0.285 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 123.9 | 177.8 | -59.3 | -96.8 | 0 | 0 | 0 | 110.7 | H535 R536 V564 A565 Q632 | H535-F634 WeakPolarHBondContact O-CA 3.34Å; R536-F634 HydrophobicContact CB-CD1 4.12Å; R536-F634 HydrophobicContact CB-CE1 3.91Å; R536-F634 HydrophobicContact CG-CD1 4.45Å; R536-F634 HydrophobicContact CG-CE1 3.92Å; R536-F634 HydrophobicContact CG-CZ 4.28Å; V564-F634 CarbonylContact C-O 3.58Å; V564-F634 WeakPolarHBondContact CA-O 3.19Å; A565-F634 HydrophobicContact CB-CB 4.11Å; A565-F634 HydrophobicContact CB-CD2 4.49Å; A565-F634 PolarHBondContact N-O 3.15Å; A565-F634 PolarHBondContact O-N 3.15Å; Q632-F634 HydrophobicContact CB-CE2 4.08Å; Q632-F634 HydrophobicContact CB-CZ 4.28Å |
| 635 | V | 98.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 115.8 | 172.5 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | N534 H535 V537 L554 T562 V564 I618 M637 A638 | N534-V635 CarbonylContact C-O 3.52Å; N534-V635 VanDerWaalsContact CA-O 3.32Å; N534-V635 WeakPolarHBondContact CA-O 3.2Å; N534-V635 PolarHBondContact N-O 2.66Å; H535-V635 PolarHBondContact N-O 2.89Å; H535-V635 PolarHBondContact O-N 3.23Å; V537-V635 HydrophobicContact CG2-CG2 4.21Å; L554-V635 HydrophobicContact CD1-CB 3.63Å; L554-V635 HydrophobicContact CD1-CG1 4.01Å; L554-V635 HydrophobicContact CD1-CG2 3.65Å; T562-V635 HydrophobicContact CG2-CG1 4.06Å; V564-V635 HydrophobicContact CG1-CG2 4.29Å; V564-V635 HydrophobicContact CG2-CG2 4.32Å; I618-V635 HydrophobicContact CD1-CG1 3.91Å; V635-M637 PolarHBondContact O-N 2.84Å; V635-A638 HydrophobicContact CG1-CB 3.82Å |
| 636 | Q | 98.3 | Very high | 96.8 | Very high | 74 Ų | 74 | 43 Ų | 43 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | -37 | -171 | -73.4 | -167.4 | -13.3 | 0 | 0 | 113.6 | H533 N534 Y563 M607 | H533-Q636 CarbonylContact C-O 3.58Å; H533-Q636 WeakPolarHBondContact CA-O 3.47Å; N534-Q636 PolarHBondContact N-O 3.01Å; Y563-Q636 PolarHBondContact O-N 3.47Å; M607-Q636 VanDerWaalsContact CE-NE2 3.32Å |
| 637 | M | 98.1 | Very high | 96.9 | Very high | 68 Ų | 68 | 46 Ų | 46 | 34% | 0.335 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 123.5 | -179.8 | -169.8 | 177.2 | 55.8 | 0 | 0 | 110.1 | V531 V532 M560 T562 V635 | V531-M637 HydrophobicContact CB-CG 4.06Å; V531-M637 HydrophobicContact CG1-CG 4.27Å; V531-M637 HydrophobicContact CG2-CG 4.04Å; V531-M637 HydrophobicContact CG2-SD 4.44Å; V532-M637 WeakPolarHBondContact O-CA 3.4Å; M560-M637 HydrophobicContact CE-CB 4.17Å; M560-M637 HydrophobicContact CE-CE 3.73Å; M560-M637 HydrophobicContact CE-CG 3.54Å; M560-M637 HydrophobicContact CE-SD 4.1Å; T562-M637 WeakPolarHBondContact CB-O 2.91Å; T562-M637 PolarHBondContact OG1-N 2.82Å; T562-M637 VanDerWaalsContact OG1-N 3.07Å; T562-M637 PolarHBondContact OG1-O 3.03Å; T562-M637 VanDerWaalsContact OG1-O 3.05Å; V635-M637 PolarHBondContact O-N 2.84Å |
| 638 | A | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 163.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V531 V532 L554 L556 I618 V635 | V531-A638 CarbonylContact C-O 3.44Å; V531-A638 VanDerWaalsContact CA-O 3.23Å; V531-A638 WeakPolarHBondContact CA-O 3.39Å; V531-A638 WeakPolarHBondContact CB-O 3.43Å; V532-A638 WeakPolarHBondContact CG2-O 3.44Å; V532-A638 PolarHBondContact N-O 3.25Å; V532-A638 PolarHBondContact O-N 3.36Å; V532-A638 VanDerWaalsContact O-N 3.11Å; L554-A638 HydrophobicContact CB-CB 3.9Å; L554-A638 HydrophobicContact CD1-CB 4.25Å; L554-A638 HydrophobicContact CD2-CB 4.18Å; L554-A638 HydrophobicContact CG-CB 4.34Å; L556-A638 HydrophobicContact CD2-CB 4.23Å; I618-A638 HydrophobicContact CD1-CB 4.01Å; V635-A638 HydrophobicContact CG1-CB 3.82Å |
| 639 | V | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 132 | 173.4 | 179.9 | 0 | 0 | 0 | 0 | 108.6 | L529 V531 L554 Y555 M560 P661 | L529-V639 HydrophobicContact CB-CG1 3.85Å; L529-V639 HydrophobicContact CB-CG2 3.82Å; L529-V639 HydrophobicContact CD1-CG1 3.95Å; L529-V639 HydrophobicContact CD1-CG2 4.39Å; V531-V639 HydrophobicContact CG1-CG2 4.15Å; L554-V639 CarbonylContact C-O 3.45Å; Y555-V639 HydrophobicContact CD1-CB 3.95Å; Y555-V639 HydrophobicContact CD1-CG1 4.2Å; Y555-V639 HydrophobicContact CD1-CG2 4.31Å; Y555-V639 PolarHBondContact N-O 3.2Å; Y555-V639 WeakPolarHBondContact O-CB 3.44Å; Y555-V639 PolarHBondContact O-N 3.49Å; M560-V639 HydrophobicContact SD-CG2 4.4Å; V639-P661 HydrophobicContact CG1-CB 4.36Å; V639-P661 HydrophobicContact CG1-CG 3.61Å |
| 640 | P | 98.1 | Very high | 97.4 | Very high | 33 Ų | 33 | 39.4 Ų | 39.4 | 21% | 0.214 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 140.5 | 175.7 | 25.3 | -27.4 | 0 | 0 | 0 | 111 | P530 V532 A660 P661 S662 | P530-P640 WeakPolarHBondContact O-CD 3.26Å; V532-P640 HydrophobicContact CG1-CB 4.4Å; V532-P640 HydrophobicContact CG1-CG 4.15Å; P640-A660 HydrophobicContact CB-CB 4.4Å; P640-P661 HydrophobicContact CG-CG 4.37Å; P640-S662 PolarHBondContact O-N 3.31Å |
| 641 | A | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | trans | -109.5 | 149.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G553 L617 Y643 | G553-A641 PolarHBondContact O-N 2.75Å; L617-A641 HydrophobicContact CD2-CB 3.59Å; A641-Y643 PolarHBondContact O-N 3.41Å | ||
| 642 | P | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -60.1 | 110 | 169.3 | -22.5 | 33.9 | 0 | 0 | 0 | 109.9 | W654 L657 A660 W664 A665 E666 V681 | P642-W654 HydrophobicContact CB-CH2 4.37Å; P642-W654 HydrophobicContact CB-CZ3 4.41Å; P642-L657 WeakPolarHBondContact CA-O 3.38Å; P642-L657 WeakPolarHBondContact CB-O 3.48Å; P642-A660 HydrophobicContact CG-CB 4.06Å; P642-W664 WeakPolarHBondContact CD-O 3.42Å; P642-A665 HydrophobicContact CB-CB 3.76Å; P642-A665 HydrophobicContact CG-CB 4.22Å; P642-A665 CarbonylContact O-C 3.49Å; P642-A665 WeakPolarHBondContact O-CA 3.15Å; P642-A665 WeakPolarHBondContact O-CB 3.36Å; P642-E666 PolarHBondContact O-N 3.07Å; P642-V681 HydrophobicContact CB-CG2 3.99Å; P642-V681 HydrophobicContact CG-CG2 4.49Å | ||
| 643 | Y | 98.1 | Very high | 97.3 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 111.9 | -177.5 | 176.7 | -134.5 | 0 | 0 | 0 | 110 | A641 E666 E668 | A641-Y643 PolarHBondContact O-N 3.41Å; Y643-E666 WeakPolarHBondContact CA-O 3.29Å; Y643-E666 HydrophobicContact CD2-CB 3.8Å; Y643-E666 HydrophobicContact CE2-CB 4.34Å; Y643-E668 HydrophobicContact CE2-CB 3.88Å; Y643-E668 PolarHBondContact OH-OE2 3.16Å |
| 644 | Y | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 130.3 | 173.6 | 176.2 | -98 | 0 | 0 | 0 | 109.2 | T649 W654 E666 L667 E668 F669 P687 A691 | Y644-T649 HydrophobicContact CD2-CG2 3.86Å; Y644-T649 HydrophobicContact CE2-CG2 4.39Å; Y644-W654 HydrophobicContact CD2-CB 4.48Å; Y644-W654 HydrophobicContact CD2-CD2 4.28Å; Y644-W654 HydrophobicContact CD2-CE3 4.23Å; Y644-W654 HydrophobicContact CD2-CG 4.39Å; Y644-W654 HydrophobicContact CG-CE3 4.45Å; Y644-E666 PolarHBondContact N-O 2.89Å; Y644-L667 HydrophobicContact CG-CD2 4.45Å; Y644-E668 PolarHBondContact O-N 2.88Å; Y644-F669 HydrophobicContact CD1-CE1 4Å; Y644-F669 HydrophobicContact CE1-CD1 4.38Å; Y644-F669 AromaticContact CE1-CE1 3.98Å; Y644-F669 HydrophobicContact CE1-CE1 3.98Å; Y644-P687 HydrophobicContact CD1-CB 3.87Å; Y644-P687 HydrophobicContact CD2-CB 3.77Å; Y644-P687 HydrophobicContact CD2-CG 3.54Å; Y644-P687 HydrophobicContact CE1-CB 3.88Å; Y644-P687 HydrophobicContact CE1-CG 4.39Å; Y644-P687 HydrophobicContact CE2-CB 3.81Å; Y644-P687 HydrophobicContact CE2-CG 3.42Å; Y644-P687 VanDerWaalsContact CE2-CG 3.42Å; Y644-P687 HydrophobicContact CG-CB 3.8Å; Y644-P687 HydrophobicContact CG-CG 4.1Å; Y644-A691 HydrophobicContact CE1-CB 4.37Å |
| 645 | K | 97.8 | Very high | 97.1 | Very high | 72 Ų | 72 | 44.3 Ų | 44.3 | 31% | 0.313 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 116.8 | 172.7 | -177.6 | 171.1 | -173.9 | 142.5 | 0 | 110.2 | G647 V648 T649 E668 | K645-G647 PolarHBondContact O-N 3.46Å; K645-V648 HydrophobicContact CB-CB 4.12Å; K645-V648 HydrophobicContact CD-CB 4.15Å; K645-V648 HydrophobicContact CD-CG2 3.88Å; K645-V648 HydrophobicContact CG-CB 4Å; K645-V648 HydrophobicContact CG-CG2 3.94Å; K645-V648 PolarHBondContact O-N 3.47Å; K645-T649 PolarHBondContact N-OG1 3.45Å; K645-T649 PolarHBondContact O-N 3.17Å; K645-E668 WeakPolarHBondContact CE-OE1 3.48Å; K645-E668 HydrophobicContact CG-CB 4.5Å; K645-E668 HydrophobicContact CG-CG 4.3Å; K645-E668 IonicContact NZ-OE1 3.85Å; K645-E668 PolarHBondContact NZ-OE1 3.42Å |
| 646 | S | 97.3 | Very high | 96.9 | Very high | 34 Ų | 34 | 50.3 Ų | 50.3 | 24% | 0.238 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 133.7 | -179.9 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | V648 E668 | S646-V648 PolarHBondContact O-N 2.94Å; S646-E668 PolarHBondContact N-O 2.89Å |
| 647 | G | 95.6 | Very high | 96.8 | Very high | 82 Ų | 82 | 50 Ų | 50 | 85% | 0.845 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | -1.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | K645 | K645-G647 PolarHBondContact O-N 3.46Š|
| 648 | V | 95.9 | Very high | 96.7 | Very high | 95 Ų | 95 | 47.3 Ų | 47.3 | 58% | 0.576 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | -52 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | K645 S646 T650 | K645-V648 HydrophobicContact CB-CB 4.12Å; K645-V648 HydrophobicContact CD-CB 4.15Å; K645-V648 HydrophobicContact CD-CG2 3.88Å; K645-V648 HydrophobicContact CG-CB 4Å; K645-V648 HydrophobicContact CG-CG2 3.94Å; K645-V648 PolarHBondContact O-N 3.47Å; S646-V648 PolarHBondContact O-N 2.94Å; V648-T650 PolarHBondContact O-N 3.46Å |
| 649 | T | 97 | Very high | 96.5 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -78.1 | 122 | -179.6 | -51.9 | 0 | 0 | 0 | 0 | 110.4 | Y644 K645 E653 W654 L657 | Y644-T649 HydrophobicContact CD2-CG2 3.86Å; Y644-T649 HydrophobicContact CE2-CG2 4.39Å; K645-T649 PolarHBondContact N-OG1 3.45Å; K645-T649 PolarHBondContact O-N 3.17Å; T649-E653 HydrophobicContact CG2-CB 4.16Å; T649-W654 HydrophobicContact CG2-CB 4.12Å; T649-L657 HydrophobicContact CG2-CD1 3.89Å |
| 650 | T | 96.6 | Very high | 96.5 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | trans | -78.8 | 161 | 174.6 | 66.1 | 0 | 0 | 0 | 0 | 111.8 | V648 A652 E653 W654 | V648-T650 PolarHBondContact O-N 3.46Å; T650-A652 VanDerWaalsContact C-N 3.3Å; T650-A652 PolarHBondContact O-N 2.73Å; T650-E653 WeakPolarHBondContact CB-OE2 3.49Å; T650-E653 WeakPolarHBondContact CG2-OE2 3.43Å; T650-E653 PolarHBondContact N-OE2 3.36Å; T650-E653 PolarHBondContact O-N 2.92Å; T650-E653 WeakPolarHBondContact OG1-CB 3.43Å; T650-E653 VanDerWaalsContact OG1-CD 3.23Å; T650-E653 WeakPolarHBondContact OG1-CG 3.43Å; T650-E653 PolarHBondContact OG1-N 3.44Å; T650-E653 PolarHBondContact OG1-OE2 3.01Å; T650-W654 WeakPolarHBondContact O-CB 3.31Å; T650-W654 PolarHBondContact O-N 3.37Å | ||
| 651 | Q | 94.2 | Very high | 96.4 | Very high | 82 Ų | 82 | 52.5 Ų | 52.5 | 38% | 0.383 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.8 | -41.7 | 176.8 | -176.8 | 61.5 | 37.2 | 0 | 0 | 112.6 | W654 S655 D685 | Q651-W654 PolarHBondContact O-N 3.34Å; Q651-S655 PolarHBondContact O-N 3.34Å; Q651-S655 VanDerWaalsContact O-N 3.08Å; Q651-S655 PolarHBondContact O-OG 2.83Å; Q651-D685 PolarHBondContact NE2-O 3.42Å; Q651-D685 PolarHBondContact OE1-O 2.96Å |
| 652 | A | 94.4 | Very high | 96.4 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 60% | 0.595 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.3 | -41.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T650 L656 | T650-A652 VanDerWaalsContact C-N 3.3Å; T650-A652 PolarHBondContact O-N 2.73Å; A652-L656 WeakPolarHBondContact O-CD1 3.41Å |
| 653 | E | 96.1 | Very high | 96.2 | Very high | 98 Ų | 98 | 55.1 Ų | 55.1 | 46% | 0.458 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.1 | -71.5 | 164.7 | 147.2 | 0 | 0 | 111.2 | T649 T650 S655 L656 L657 | T649-E653 HydrophobicContact CG2-CB 4.16Å; T650-E653 WeakPolarHBondContact CB-OE2 3.49Å; T650-E653 WeakPolarHBondContact CG2-OE2 3.43Å; T650-E653 PolarHBondContact N-OE2 3.36Å; T650-E653 PolarHBondContact O-N 2.92Å; T650-E653 WeakPolarHBondContact OG1-CB 3.43Å; T650-E653 VanDerWaalsContact OG1-CD 3.23Å; T650-E653 WeakPolarHBondContact OG1-CG 3.43Å; T650-E653 PolarHBondContact OG1-N 3.44Å; T650-E653 PolarHBondContact OG1-OE2 3.01Å; E653-S655 VanDerWaalsContact C-N 3.34Å; E653-S655 PolarHBondContact O-N 2.98Å; E653-L656 PolarHBondContact O-N 2.91Å; E653-L657 HydrophobicContact CB-CD1 4.31Å; E653-L657 WeakPolarHBondContact O-CG 3.34Å; E653-L657 PolarHBondContact O-N 2.77Å |
| 654 | W | 97.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 179.3 | 176.9 | -114.3 | 0 | 0 | 0 | 112.6 | P642 Y644 T649 T650 Q651 L656 L657 C658 L667 V681 L684 P687 | P642-W654 HydrophobicContact CB-CH2 4.37Å; P642-W654 HydrophobicContact CB-CZ3 4.41Å; Y644-W654 HydrophobicContact CD2-CB 4.48Å; Y644-W654 HydrophobicContact CD2-CD2 4.28Å; Y644-W654 HydrophobicContact CD2-CE3 4.23Å; Y644-W654 HydrophobicContact CD2-CG 4.39Å; Y644-W654 HydrophobicContact CG-CE3 4.45Å; T649-W654 HydrophobicContact CG2-CB 4.12Å; T650-W654 WeakPolarHBondContact O-CB 3.31Å; T650-W654 PolarHBondContact O-N 3.37Å; Q651-W654 PolarHBondContact O-N 3.34Å; W654-L656 PolarHBondContact O-N 3.13Å; W654-L656 VanDerWaalsContact O-N 3.1Å; W654-L657 HydrophobicContact CE3-CB 4.19Å; W654-L657 PolarHBondContact O-N 2.89Å; W654-L657 VanDerWaalsContact O-N 3.17Å; W654-C658 HydrophobicContact CD2-CB 4.08Å; W654-C658 HydrophobicContact CE3-CB 4.34Å; W654-C658 HydrophobicContact CH2-CB 3.93Å; W654-C658 HydrophobicContact CZ2-CB 3.62Å; W654-C658 HydrophobicContact CZ3-CB 4.27Å; W654-C658 WeakPolarHBondContact O-CB 3.42Å; W654-C658 PolarHBondContact O-N 3.28Å; W654-C658 PolarHBondContact O-SG 2.79Å; W654-C658 VanDerWaalsContact O-SG 3.41Å; W654-L667 HydrophobicContact CH2-CD2 3.82Å; W654-L667 HydrophobicContact CZ2-CD2 4.29Å; W654-L667 HydrophobicContact CZ3-CD2 4.4Å; W654-V681 HydrophobicContact CH2-CB 4.13Å; W654-V681 HydrophobicContact CH2-CG2 4.15Å; W654-V681 HydrophobicContact CZ2-CB 4.15Å; W654-L684 HydrophobicContact CZ2-CB 4.37Å; W654-L684 HydrophobicContact CZ2-CD2 4.31Å; W654-L684 PolarHBondContact NE1-O 3.36Å; W654-P687 VanDerWaalsContact CD1-CG 3.49Å; W654-P687 HydrophobicContact CD2-CG 4.11Å; W654-P687 HydrophobicContact CG-CG 3.78Å |
| 655 | S | 94.2 | Very high | 96.3 | Very high | 67 Ų | 67 | 54.6 Ų | 54.6 | 47% | 0.469 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.8 | -23.7 | 175.7 | -65.6 | 0 | 0 | 0 | 0 | 113.7 | Q651 E653 | Q651-S655 PolarHBondContact O-N 3.34Å; Q651-S655 VanDerWaalsContact O-N 3.08Å; Q651-S655 PolarHBondContact O-OG 2.83Å; E653-S655 VanDerWaalsContact C-N 3.34Å; E653-S655 PolarHBondContact O-N 2.98Å |
| 656 | L | 93.8 | Very high | 96.3 | Very high | 128 Ų | 128 | 51.2 Ų | 51.2 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -89.2 | -49.8 | 170 | -81.1 | 81.7 | 0 | 0 | 0 | 111.6 | A652 E653 W654 C658 T659 | A652-L656 WeakPolarHBondContact O-CD1 3.41Å; E653-L656 PolarHBondContact O-N 2.91Å; W654-L656 PolarHBondContact O-N 3.13Å; W654-L656 VanDerWaalsContact O-N 3.1Å; L656-C658 VanDerWaalsContact C-N 3.28Å; L656-C658 PolarHBondContact O-N 2.92Å; L656-T659 PolarHBondContact O-N 3.15Å; L656-T659 VanDerWaalsContact O-N 3.09Å; L656-T659 PolarHBondContact O-OG1 2.8Å |
| 657 | L | 95.6 | Very high | 96.3 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 35% | 0.346 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61 | -33.1 | -175 | -70.4 | 171.2 | 0 | 0 | 0 | 113 | P642 T649 E653 W654 T659 A660 | P642-L657 WeakPolarHBondContact CA-O 3.38Å; P642-L657 WeakPolarHBondContact CB-O 3.48Å; T649-L657 HydrophobicContact CG2-CD1 3.89Å; E653-L657 HydrophobicContact CB-CD1 4.31Å; E653-L657 WeakPolarHBondContact O-CG 3.34Å; E653-L657 PolarHBondContact O-N 2.77Å; W654-L657 HydrophobicContact CE3-CB 4.19Å; W654-L657 PolarHBondContact O-N 2.89Å; W654-L657 VanDerWaalsContact O-N 3.17Å; L657-T659 PolarHBondContact O-N 2.93Å; L657-T659 VanDerWaalsContact O-N 3.1Å; L657-A660 VanDerWaalsContact O-CB 3.23Å; L657-A660 WeakPolarHBondContact O-CB 3.26Å; L657-A660 PolarHBondContact O-N 2.82Å |
| 658 | C | 96.2 | Very high | 96.5 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 8% | 0.081 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.1 | 178.4 | 73.4 | 0 | 0 | 0 | 0 | 113.1 | W654 L656 R682 | W654-C658 HydrophobicContact CD2-CB 4.08Å; W654-C658 HydrophobicContact CE3-CB 4.34Å; W654-C658 HydrophobicContact CH2-CB 3.93Å; W654-C658 HydrophobicContact CZ2-CB 3.62Å; W654-C658 HydrophobicContact CZ3-CB 4.27Å; W654-C658 WeakPolarHBondContact O-CB 3.42Å; W654-C658 PolarHBondContact O-N 3.28Å; W654-C658 PolarHBondContact O-SG 2.79Å; W654-C658 VanDerWaalsContact O-SG 3.41Å; L656-C658 VanDerWaalsContact C-N 3.28Å; L656-C658 PolarHBondContact O-N 2.92Å; C658-R682 VanDerWaalsContact O-CG 3.26Å; C658-R682 WeakPolarHBondContact O-CG 3Å |
| 659 | T | 95.7 | Very high | 96.6 | Very high | 97 Ų | 97 | 41.9 Ų | 41.9 | 60% | 0.595 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -0.9 | 178.5 | 71.8 | 0 | 0 | 0 | 0 | 114.2 | L656 L657 | L656-T659 PolarHBondContact O-N 3.15Å; L656-T659 VanDerWaalsContact O-N 3.09Å; L656-T659 PolarHBondContact O-OG1 2.8Å; L657-T659 PolarHBondContact O-N 2.93Å; L657-T659 VanDerWaalsContact O-N 3.1Å |
| 660 | A | 97.2 | Very high | 96.5 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | trans | -56.6 | 145.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P640 P642 L657 S662 | P640-A660 HydrophobicContact CB-CB 4.4Å; P642-A660 HydrophobicContact CG-CB 4.06Å; L657-A660 VanDerWaalsContact O-CB 3.23Å; L657-A660 WeakPolarHBondContact O-CB 3.26Å; L657-A660 PolarHBondContact O-N 2.82Å; A660-S662 VanDerWaalsContact C-N 3.34Å; A660-S662 PolarHBondContact O-N 2.9Å | ||
| 661 | P | 96.9 | Very high | 96.5 | Very high | 38 Ų | 38 | 41.1 Ų | 41.1 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -74.9 | -14.4 | -162.9 | 28.1 | -36.4 | 0 | 0 | 0 | 115.3 | L529 V639 P640 | L529-P661 HydrophobicContact CB-CB 4.43Å; L529-P661 HydrophobicContact CD2-CB 4.26Å; V639-P661 HydrophobicContact CG1-CB 4.36Å; V639-P661 HydrophobicContact CG1-CG 3.61Å; P640-P661 HydrophobicContact CG-CG 4.37Å |
| 662 | S | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -55.3 | 143.7 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | Y555 P640 A660 W664 S678 | Y555-S662 VanDerWaalsContact CB-OG 3.23Å; Y555-S662 WeakPolarHBondContact CB-OG 3.49Å; Y555-S662 WeakPolarHBondContact CD2-OG 3.24Å; Y555-S662 VanDerWaalsContact CG-OG 3.24Å; P640-S662 PolarHBondContact O-N 3.31Å; A660-S662 VanDerWaalsContact C-N 3.34Å; A660-S662 PolarHBondContact O-N 2.9Å; S662-W664 PolarHBondContact O-N 2.78Å; S662-W664 PolarHBondContact OG-N 3.07Å; S662-W664 PolarHBondContact OG-O 3.37Å; S662-S678 WeakPolarHBondContact O-CB 3.31Å; S662-S678 PolarHBondContact O-OG 3.34Å | ||
| 663 | P | 96.1 | Very high | 96.9 | Very high | 58 Ų | 58 | 34 Ų | 34 | 38% | 0.377 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -71.9 | -13.5 | 173.4 | 29.4 | -35.1 | 0 | 0 | 0 | 113.8 | Y555 P677 S678 | Y555-P663 HydrophobicContact CD2-CG 4.43Å; Y555-P663 HydrophobicContact CE1-CG 4.19Å; Y555-P663 HydrophobicContact CE2-CG 3.76Å; P663-P677 WeakPolarHBondContact O-CA 3.46Å; P663-S678 PolarHBondContact O-N 2.78Å; P663-S678 PolarHBondContact O-OG 2.99Å |
| 664 | W | 98.1 | Very high | 97 | Very high | 39 Ų | 39 | 29.3 Ų | 29.3 | 15% | 0.148 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 144.3 | -180 | -67.5 | 99.6 | 0 | 0 | 0 | 111.9 | Q582 L617 P642 S662 T675 P677 S678 V718 A719 | Q582-W664 VanDerWaalsContact NE2-CZ2 3.26Å; L617-W664 HydrophobicContact CD1-CB 3.67Å; L617-W664 HydrophobicContact CD1-CG 4.48Å; L617-W664 HydrophobicContact CD2-CB 4.2Å; L617-W664 HydrophobicContact CG-CB 3.79Å; P642-W664 WeakPolarHBondContact CD-O 3.42Å; S662-W664 PolarHBondContact O-N 2.78Å; S662-W664 PolarHBondContact OG-N 3.07Å; S662-W664 PolarHBondContact OG-O 3.37Å; W664-T675 HydrophobicContact CE3-CG2 3.97Å; W664-P677 HydrophobicContact CZ3-CG 4.32Å; W664-S678 WeakPolarHBondContact CA-OG 3.39Å; W664-S678 PolarHBondContact N-OG 2.78Å; W664-S678 VanDerWaalsContact N-OG 3.17Å; W664-S678 PolarHBondContact O-OG 3.13Å; W664-V718 HydrophobicContact CZ3-CG1 4.37Å; W664-A719 WeakPolarHBondContact CH2-O 3.42Å; W664-A719 WeakPolarHBondContact CZ3-O 3.39Å |
| 665 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 152.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P642 T675 V676 S678 V681 | P642-A665 HydrophobicContact CB-CB 3.76Å; P642-A665 HydrophobicContact CG-CB 4.22Å; P642-A665 CarbonylContact O-C 3.49Å; P642-A665 WeakPolarHBondContact O-CA 3.15Å; P642-A665 WeakPolarHBondContact O-CB 3.36Å; A665-T675 WeakPolarHBondContact O-CA 3.19Å; A665-V676 HydrophobicContact CB-CG2 4.46Å; A665-V676 PolarHBondContact N-O 3.26Å; A665-V676 PolarHBondContact O-N 3.46Å; A665-V676 VanDerWaalsContact O-N 3.11Å; A665-S678 PolarHBondContact N-OG 3.23Å; A665-V681 HydrophobicContact CB-CB 4.42Å; A665-V681 HydrophobicContact CB-CG1 4.18Å; A665-V681 HydrophobicContact CB-CG2 3.39Å |
| 666 | E | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.8 | 171.6 | -70.9 | -167.1 | 97.8 | 0 | 0 | 111.8 | S551 L617 Y619 P642 Y643 Y644 I673 L674 T675 R716 | S551-E666 WeakPolarHBondContact CB-OE2 3.1Å; S551-E666 PolarHBondContact OG-OE1 2.9Å; S551-E666 PolarHBondContact OG-OE2 3.48Å; L617-E666 HydrophobicContact CD1-CG 3.79Å; Y619-E666 WeakPolarHBondContact CE1-OE1 3.48Å; P642-E666 PolarHBondContact O-N 3.07Å; Y643-E666 WeakPolarHBondContact CA-O 3.29Å; Y643-E666 HydrophobicContact CD2-CB 3.8Å; Y643-E666 HydrophobicContact CE2-CB 4.34Å; Y644-E666 PolarHBondContact N-O 2.89Å; E666-I673 HydrophobicContact CB-CG2 4.31Å; E666-I673 HydrophobicContact CG-CG2 4.49Å; E666-L674 WeakPolarHBondContact CA-O 3.4Å; E666-T675 HydrophobicContact CG-CG2 4.24Å; E666-R716 IonicContact OE1-CZ 3.34Å; E666-R716 IonicContact OE1-NH1 2.65Å; E666-R716 PolarHBondContact OE1-NH1 3.46Å |
| 667 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 105.7 | 172.6 | -53.3 | 173.3 | 0 | 0 | 0 | 108 | Y644 W654 F669 I673 L674 V681 L684 L690 V745 | Y644-L667 HydrophobicContact CG-CD2 4.45Å; W654-L667 HydrophobicContact CH2-CD2 3.82Å; W654-L667 HydrophobicContact CZ2-CD2 4.29Å; W654-L667 HydrophobicContact CZ3-CD2 4.4Å; L667-F669 HydrophobicContact CB-CE1 4.09Å; L667-F669 HydrophobicContact CB-CE2 4.32Å; L667-F669 HydrophobicContact CB-CZ 3.68Å; L667-F669 HydrophobicContact CD1-CZ 4.46Å; L667-I673 WeakPolarHBondContact O-CA 3.42Å; L667-L674 HydrophobicContact CB-CB 4.37Å; L667-L674 PolarHBondContact N-O 2.91Å; L667-L674 PolarHBondContact O-N 3Å; L667-V681 HydrophobicContact CD1-CG1 4.07Å; L667-V681 HydrophobicContact CD2-CG1 4.38Å; L667-V681 HydrophobicContact CG-CG1 4.4Å; L667-L684 HydrophobicContact CD1-CD2 3.93Å; L667-L684 HydrophobicContact CD2-CD2 4.32Å; L667-L690 HydrophobicContact CD1-CD2 3.69Å; L667-V745 HydrophobicContact CD1-CG1 3.8Å |
| 668 | E | 98.2 | Very high | 97.5 | Very high | 14 Ų | 14 | 17.5 Ų | 17.5 | 7% | 0.065 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 119 | -176.3 | 174 | 174.5 | 154.4 | 0 | 0 | 111.5 | Y643 Y644 K645 S646 I673 K714 | Y643-E668 HydrophobicContact CE2-CB 3.88Å; Y643-E668 PolarHBondContact OH-OE2 3.16Å; Y644-E668 PolarHBondContact O-N 2.88Å; K645-E668 WeakPolarHBondContact CE-OE1 3.48Å; K645-E668 HydrophobicContact CG-CB 4.5Å; K645-E668 HydrophobicContact CG-CG 4.3Å; K645-E668 IonicContact NZ-OE1 3.85Å; K645-E668 PolarHBondContact NZ-OE1 3.42Å; S646-E668 PolarHBondContact N-O 2.89Å; E668-I673 HydrophobicContact CB-CD1 4.48Å; E668-I673 HydrophobicContact CB-CG1 4.02Å; E668-I673 HydrophobicContact CB-CG2 4.43Å; E668-I673 HydrophobicContact CG-CD1 4.13Å; E668-I673 HydrophobicContact CG-CG1 3.88Å; E668-K714 VanDerWaalsContact CD-NZ 3.29Å; E668-K714 HydrophobicContact CG-CD 4.29Å; E668-K714 IonicContact OE1-NZ 2.87Å; E668-K714 PolarHBondContact OE1-NZ 3.39Å |
| 669 | F | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | trans | -112.9 | -168 | 176.4 | -47.3 | -45.7 | 0 | 0 | 0 | 110.6 | Y644 L667 I672 L674 L690 A691 W694 K714 | Y644-F669 HydrophobicContact CD1-CE1 4Å; Y644-F669 HydrophobicContact CE1-CD1 4.38Å; Y644-F669 AromaticContact CE1-CE1 3.98Å; Y644-F669 HydrophobicContact CE1-CE1 3.98Å; L667-F669 HydrophobicContact CB-CE1 4.09Å; L667-F669 HydrophobicContact CB-CE2 4.32Å; L667-F669 HydrophobicContact CB-CZ 3.68Å; L667-F669 HydrophobicContact CD1-CZ 4.46Å; F669-I672 HydrophobicContact CB-CG2 4.31Å; F669-I672 HydrophobicContact CD2-CG2 3.83Å; F669-I672 PolarHBondContact N-O 3.23Å; F669-L674 HydrophobicContact CE2-CD1 3.77Å; F669-L674 HydrophobicContact CE2-CG 4.03Å; F669-L674 HydrophobicContact CZ-CD1 4.48Å; F669-L690 HydrophobicContact CE2-CG 4.29Å; F669-L690 HydrophobicContact CZ-CB 4.42Å; F669-L690 HydrophobicContact CZ-CD2 3.94Å; F669-L690 HydrophobicContact CZ-CG 3.81Å; F669-A691 HydrophobicContact CD1-CB 3.5Å; F669-A691 VanDerWaalsContact CD1-CB 3.5Å; F669-A691 HydrophobicContact CE1-CB 3.71Å; F669-A691 HydrophobicContact CG-CB 4.32Å; F669-W694 HydrophobicContact CD2-CB 3.51Å; F669-W694 AromaticContact CD2-CG 3.92Å; F669-W694 HydrophobicContact CD2-CG 3.92Å; F669-W694 HydrophobicContact CE2-CB 3.84Å; F669-W694 AromaticContact CE2-CD1 3.6Å; F669-W694 AromaticContact CE2-CG 3.8Å; F669-W694 HydrophobicContact CE2-CG 3.8Å; F669-W694 HydrophobicContact CG-CB 4.37Å; F669-K714 VanDerWaalsContact O-CE 3.3Å; F669-K714 WeakPolarHBondContact O-CE 3.32Å; F669-K714 PolarHBondContact O-NZ 3.29Å | ||
| 670 | D | 95.4 | Very high | 97.5 | Very high | 72 Ų | 72 | 17.2 Ų | 17.2 | 39% | 0.385 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -68.5 | -42.3 | -169.9 | -69.6 | -4.9 | 0 | 0 | 0 | 112.3 | N695 K710 K714 | D670-N695 WeakPolarHBondContact CB-OD1 3.38Å; D670-N695 PolarHBondContact N-OD1 2.89Å; D670-N695 VanDerWaalsContact N-OD1 3.15Å; D670-N695 PolarHBondContact OD2-ND2 3.19Å; D670-K710 PolarHBondContact O-NZ 3.47Å; D670-K714 WeakPolarHBondContact O-CE 3.34Å |
| 671 | N | 96.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 16.8 Ų | 16.8 | 3% | 0.032 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -123.1 | -1.5 | -174.5 | -69.3 | -31.1 | 0 | 0 | 0 | 113.6 | M698 H709 F711 K714 E715 | N671-M698 HydrophobicContact CB-CB 3.76Å; N671-M698 HydrophobicContact CB-CE 4.1Å; N671-M698 HydrophobicContact CB-CG 4.03Å; N671-H709 PolarHBondContact ND2-O 3.43Å; N671-F711 HydrophobicContact CB-CB 4.37Å; N671-F711 HydrophobicContact CB-CG 4.3Å; N671-F711 PolarHBondContact OD1-N 3Å; N671-K714 CarbonylContact O-C 3.6Å; N671-K714 VanDerWaalsContact O-CA 3.3Å; N671-K714 WeakPolarHBondContact O-CA 3.32Å; N671-E715 PolarHBondContact O-N 3.29Å |
| 672 | I | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 148.7 | -176.4 | -163.1 | 166.5 | 0 | 0 | 0 | 111.5 | F669 L674 W694 M698 E715 F717 L762 | F669-I672 HydrophobicContact CB-CG2 4.31Å; F669-I672 HydrophobicContact CD2-CG2 3.83Å; F669-I672 PolarHBondContact N-O 3.23Å; I672-L674 HydrophobicContact CD1-CD2 4.18Å; I672-L674 HydrophobicContact CG1-CD2 4.24Å; I672-W694 HydrophobicContact CD1-CE3 3.96Å; I672-W694 HydrophobicContact CD1-CZ3 3.79Å; I672-W694 HydrophobicContact CG2-CB 4.14Å; I672-W694 HydrophobicContact CG2-CD2 4.41Å; I672-W694 HydrophobicContact CG2-CE3 4.08Å; I672-W694 HydrophobicContact CG2-CG 4.48Å; I672-M698 HydrophobicContact CB-CG 4.02Å; I672-M698 HydrophobicContact CB-SD 4.24Å; I672-M698 HydrophobicContact CD1-SD 3.95Å; I672-M698 HydrophobicContact CG2-CG 3.93Å; I672-E715 CarbonylContact C-O 3.54Å; I672-E715 VanDerWaalsContact CA-O 3.26Å; I672-E715 WeakPolarHBondContact CA-O 3.15Å; I672-E715 HydrophobicContact CB-CB 4.41Å; I672-E715 HydrophobicContact CD1-CB 4.28Å; I672-E715 HydrophobicContact CG1-CB 3.95Å; I672-F717 HydrophobicContact CD1-CD2 3.62Å; I672-F717 HydrophobicContact CD1-CE2 3.77Å; I672-F717 HydrophobicContact CG1-CD2 4.39Å; I672-L762 HydrophobicContact CD1-CD1 4.4Å; I672-L762 HydrophobicContact CD1-CD2 4.19Å |
| 673 | I | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.4 | 172.1 | -55.3 | 170.7 | 0 | 0 | 0 | 108.4 | E666 L667 E668 K714 E715 R716 F717 | E666-I673 HydrophobicContact CB-CG2 4.31Å; E666-I673 HydrophobicContact CG-CG2 4.49Å; L667-I673 WeakPolarHBondContact O-CA 3.42Å; E668-I673 HydrophobicContact CB-CD1 4.48Å; E668-I673 HydrophobicContact CB-CG1 4.02Å; E668-I673 HydrophobicContact CB-CG2 4.43Å; E668-I673 HydrophobicContact CG-CD1 4.13Å; E668-I673 HydrophobicContact CG-CG1 3.88Å; I673-K714 HydrophobicContact CD1-CB 4.45Å; I673-K714 HydrophobicContact CD1-CD 4.02Å; I673-K714 HydrophobicContact CG1-CB 4.39Å; I673-K714 HydrophobicContact CG1-CD 4Å; I673-E715 PolarHBondContact N-O 2.95Å; I673-R716 HydrophobicContact CB-CG 4.24Å; I673-R716 VanDerWaalsContact CD1-CZ 3.48Å; I673-R716 CarbonylContact O-C 3.49Å; I673-R716 WeakPolarHBondContact O-CA 3.02Å; I673-F717 PolarHBondContact O-N 2.71Å |
| 674 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.4 | 175.4 | -50.8 | -179.8 | 0 | 0 | 0 | 109.5 | E666 L667 F669 I672 W694 F717 L744 | E666-L674 WeakPolarHBondContact CA-O 3.4Å; L667-L674 HydrophobicContact CB-CB 4.37Å; L667-L674 PolarHBondContact N-O 2.91Å; L667-L674 PolarHBondContact O-N 3Å; F669-L674 HydrophobicContact CE2-CD1 3.77Å; F669-L674 HydrophobicContact CE2-CG 4.03Å; F669-L674 HydrophobicContact CZ-CD1 4.48Å; I672-L674 HydrophobicContact CD1-CD2 4.18Å; I672-L674 HydrophobicContact CG1-CD2 4.24Å; L674-W694 HydrophobicContact CD1-CD2 4.39Å; L674-W694 HydrophobicContact CD1-CZ2 4.1Å; L674-W694 HydrophobicContact CD2-CH2 4.3Å; L674-W694 HydrophobicContact CD2-CZ2 4.08Å; L674-F717 HydrophobicContact CD2-CB 3.95Å; L674-F717 HydrophobicContact CD2-CD2 3.96Å; L674-F717 HydrophobicContact CD2-CG 4.29Å; L674-L744 HydrophobicContact CD1-CB 4.46Å |
| 675 | T | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 116 | 172.4 | -51.2 | 0 | 0 | 0 | 0 | 109.4 | C581 L617 W664 A665 E666 F717 V718 A719 | C581-T675 HydrophobicContact CB-CG2 3.82Å; L617-T675 HydrophobicContact CD1-CG2 3.87Å; W664-T675 HydrophobicContact CE3-CG2 3.97Å; A665-T675 WeakPolarHBondContact O-CA 3.19Å; E666-T675 HydrophobicContact CG-CG2 4.24Å; T675-F717 WeakPolarHBondContact CA-O 3.42Å; T675-F717 VanDerWaalsContact CB-O 3.28Å; T675-F717 WeakPolarHBondContact CB-O 3.29Å; T675-F717 PolarHBondContact N-O 3.45Å; T675-F717 PolarHBondContact OG1-O 3.26Å; T675-V718 WeakPolarHBondContact O-CA 3.47Å; T675-A719 PolarHBondContact O-N 3.25Å |
| 676 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 159.6 | -175.9 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | A665 S678 V680 V681 A719 A741 V745 | A665-V676 HydrophobicContact CB-CG2 4.46Å; A665-V676 PolarHBondContact N-O 3.26Å; A665-V676 PolarHBondContact O-N 3.46Å; A665-V676 VanDerWaalsContact O-N 3.11Å; V676-S678 PolarHBondContact O-N 2.84Å; V676-V680 HydrophobicContact CG2-CB 4.42Å; V676-V680 HydrophobicContact CG2-CG1 4.49Å; V676-V681 HydrophobicContact CG2-CG1 3.56Å; V676-A719 HydrophobicContact CG1-CB 4.23Å; V676-A741 HydrophobicContact CB-CB 4.26Å; V676-A741 HydrophobicContact CG1-CB 4.12Å; V676-V745 HydrophobicContact CG2-CG1 4.43Å |
| 677 | P | 97.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 37 Ų | 37 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 136.5 | 168.2 | -29.2 | 39.1 | 0 | 0 | 0 | 112 | P663 W664 D679 V680 R738 | P663-P677 WeakPolarHBondContact O-CA 3.46Å; W664-P677 HydrophobicContact CZ3-CG 4.32Å; P677-D679 WeakPolarHBondContact CB-OD1 3.49Å; P677-D679 PolarHBondContact O-N 2.91Å; P677-D679 VanDerWaalsContact O-N 3.15Å; P677-V680 WeakPolarHBondContact O-CB 3.22Å; P677-V680 PolarHBondContact O-N 2.78Å; P677-R738 HydrophobicContact CG-CG 4.22Å |
| 678 | S | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -26.1 | -173.7 | -66.6 | 0 | 0 | 0 | 0 | 113.8 | S662 P663 W664 A665 V676 V680 V681 R682 | S662-S678 WeakPolarHBondContact O-CB 3.31Å; S662-S678 PolarHBondContact O-OG 3.34Å; P663-S678 PolarHBondContact O-N 2.78Å; P663-S678 PolarHBondContact O-OG 2.99Å; W664-S678 WeakPolarHBondContact CA-OG 3.39Å; W664-S678 PolarHBondContact N-OG 2.78Å; W664-S678 VanDerWaalsContact N-OG 3.17Å; W664-S678 PolarHBondContact O-OG 3.13Å; A665-S678 PolarHBondContact N-OG 3.23Å; V676-S678 PolarHBondContact O-N 2.84Å; S678-V680 PolarHBondContact O-N 3.01Å; S678-V681 WeakPolarHBondContact O-CG2 3.18Å; S678-V681 PolarHBondContact O-N 2.99Å; S678-V681 VanDerWaalsContact O-N 3.16Å; S678-R682 VanDerWaalsContact O-CG 3.31Å; S678-R682 WeakPolarHBondContact O-CG 3.45Å; S678-R682 PolarHBondContact O-N 3Å; S678-R682 VanDerWaalsContact O-N 3.13Å |
| 679 | D | 96 | Very high | 96 | Very high | 76 Ų | 76 | 44.4 Ų | 44.4 | 41% | 0.406 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.4 | -24.4 | 176.1 | 61.7 | -38.7 | 0 | 0 | 0 | 113.1 | P677 R738 | P677-D679 WeakPolarHBondContact CB-OD1 3.49Å; P677-D679 PolarHBondContact O-N 2.91Å; P677-D679 VanDerWaalsContact O-N 3.15Å; D679-R738 IonicContact OD1-NH2 3.46Å; D679-R738 IonicContact OD2-NH2 2.69Å; D679-R738 PolarHBondContact OD2-NH2 2.83Å |
| 680 | V | 95.5 | Very high | 96 | Very high | 28 Ų | 28 | 44.3 Ų | 44.3 | 17% | 0.17 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -76.4 | -32.3 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | V676 P677 S678 A741 V745 | V676-V680 HydrophobicContact CG2-CB 4.42Å; V676-V680 HydrophobicContact CG2-CG1 4.49Å; P677-V680 WeakPolarHBondContact O-CB 3.22Å; P677-V680 PolarHBondContact O-N 2.78Å; S678-V680 PolarHBondContact O-N 3.01Å; V680-A741 HydrophobicContact CG1-CB 4.46Å; V680-A741 HydrophobicContact CG2-CB 3.88Å; V680-V745 HydrophobicContact CG1-CB 4.48Å; V680-V745 HydrophobicContact CG1-CG1 4.32Å; V680-V745 HydrophobicContact CG1-CG2 3.37Å |
| 681 | V | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -99.8 | -14.1 | -175.8 | -56.8 | 0 | 0 | 0 | 0 | 114.3 | P642 W654 A665 L667 V676 S678 R683 L684 | P642-V681 HydrophobicContact CB-CG2 3.99Å; P642-V681 HydrophobicContact CG-CG2 4.49Å; W654-V681 HydrophobicContact CH2-CB 4.13Å; W654-V681 HydrophobicContact CH2-CG2 4.15Å; W654-V681 HydrophobicContact CZ2-CB 4.15Å; A665-V681 HydrophobicContact CB-CB 4.42Å; A665-V681 HydrophobicContact CB-CG1 4.18Å; A665-V681 HydrophobicContact CB-CG2 3.39Å; L667-V681 HydrophobicContact CD1-CG1 4.07Å; L667-V681 HydrophobicContact CD2-CG1 4.38Å; L667-V681 HydrophobicContact CG-CG1 4.4Å; V676-V681 HydrophobicContact CG2-CG1 3.56Å; S678-V681 WeakPolarHBondContact O-CG2 3.18Å; S678-V681 PolarHBondContact O-N 2.99Å; S678-V681 VanDerWaalsContact O-N 3.16Å; V681-R683 PolarHBondContact O-N 3.33Å; V681-L684 HydrophobicContact CB-CB 4.45Å; V681-L684 WeakPolarHBondContact O-CB 3.36Å; V681-L684 PolarHBondContact O-N 2.82Å |
| 682 | R | 94.7 | Very high | 96.2 | Very high | 122 Ų | 122 | 45.5 Ų | 45.5 | 46% | 0.46 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -20.4 | 178.5 | -82.6 | 171.8 | -171.7 | 179.4 | 3 | 114.2 | C658 S678 | C658-R682 VanDerWaalsContact O-CG 3.26Å; C658-R682 WeakPolarHBondContact O-CG 3Å; S678-R682 VanDerWaalsContact O-CG 3.31Å; S678-R682 WeakPolarHBondContact O-CG 3.45Å; S678-R682 PolarHBondContact O-N 3Å; S678-R682 VanDerWaalsContact O-N 3.13Å |
| 683 | R | 88.9 | Confident | 96.2 | Very high | 217 Ų | 217 | 45.8 Ų | 45.8 | 82% | 0.819 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 16.2 | 177.8 | -68 | -174.6 | -83.8 | -137.1 | -2.6 | 113 | V681 D685 | V681-R683 PolarHBondContact O-N 3.33Å; R683-D685 PolarHBondContact O-N 3.24Å |
| 684 | L | 94.8 | Very high | 96.2 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 13% | 0.126 | 21% | 0.211 | C | C | . | . | trans | -85.2 | 97.4 | 177 | 178.2 | 63.9 | 0 | 0 | 0 | 109 | W654 L667 V681 P687 L690 | W654-L684 HydrophobicContact CZ2-CB 4.37Å; W654-L684 HydrophobicContact CZ2-CD2 4.31Å; W654-L684 PolarHBondContact NE1-O 3.36Å; L667-L684 HydrophobicContact CD1-CD2 3.93Å; L667-L684 HydrophobicContact CD2-CD2 4.32Å; V681-L684 HydrophobicContact CB-CB 4.45Å; V681-L684 WeakPolarHBondContact O-CB 3.36Å; V681-L684 PolarHBondContact O-N 2.82Å; L684-P687 HydrophobicContact CD2-CB 4.08Å; L684-P687 HydrophobicContact CG-CB 4.47Å; L684-L690 HydrophobicContact CD2-CD2 3.93Å | ||
| 685 | D | 91.5 | Very high | 96.1 | Very high | 113 Ų | 113 | 47.1 Ų | 47.1 | 60% | 0.604 | 22% | 0.219 | S | C | * | . | trans | -75.6 | -32.4 | -176.5 | -63.6 | -38.5 | 0 | 0 | 0 | 113.1 | Q651 R683 P687 | Q651-D685 PolarHBondContact NE2-O 3.42Å; Q651-D685 PolarHBondContact OE1-O 2.96Å; R683-D685 PolarHBondContact O-N 3.24Å; D685-P687 VanDerWaalsContact O-CD 3.31Å; D685-P687 WeakPolarHBondContact O-CD 3.18Å | ||
| 686 | H | 93.4 | Very high | 96.1 | Very high | 86 Ų | 86 | 50.9 Ų | 50.9 | 40% | 0.398 | 24% | 0.239 | S | C | . | . | trans | -124.2 | 70.9 | -170.7 | -67.2 | -63.9 | 0 | 0 | 0 | 112.7 | D688 K689 L690 | H686-D688 VanDerWaalsContact C-OD1 3.25Å; H686-D688 VanDerWaalsContact CA-OD1 3.28Å; H686-D688 WeakPolarHBondContact CA-OD1 3.36Å; H686-D688 WeakPolarHBondContact CB-OD1 3.27Å; H686-D688 IonicContact ND1-OD1 3.5Å; H686-D688 PolarHBondContact O-N 3.29Å; H686-K689 HydrophobicContact CB-CB 4.25Å; H686-K689 HydrophobicContact CB-CD 3.79Å; H686-K689 HydrophobicContact CB-CG 4.02Å; H686-K689 PolarHBondContact O-N 3.45Å; H686-L690 PolarHBondContact O-N 3.34Å | ||
| 687 | P | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67 | -18.6 | 176.2 | 32 | -38.9 | 0 | 0 | 0 | 112.9 | Y644 W654 L684 D685 L690 A691 | Y644-P687 HydrophobicContact CD1-CB 3.87Å; Y644-P687 HydrophobicContact CD2-CB 3.77Å; Y644-P687 HydrophobicContact CD2-CG 3.54Å; Y644-P687 HydrophobicContact CE1-CB 3.88Å; Y644-P687 HydrophobicContact CE1-CG 4.39Å; Y644-P687 HydrophobicContact CE2-CB 3.81Å; Y644-P687 HydrophobicContact CE2-CG 3.42Å; Y644-P687 VanDerWaalsContact CE2-CG 3.42Å; Y644-P687 HydrophobicContact CG-CB 3.8Å; Y644-P687 HydrophobicContact CG-CG 4.1Å; W654-P687 VanDerWaalsContact CD1-CG 3.49Å; W654-P687 HydrophobicContact CD2-CG 4.11Å; W654-P687 HydrophobicContact CG-CG 3.78Å; L684-P687 HydrophobicContact CD2-CB 4.08Å; L684-P687 HydrophobicContact CG-CB 4.47Å; D685-P687 VanDerWaalsContact O-CD 3.31Å; D685-P687 WeakPolarHBondContact O-CD 3.18Å; P687-L690 WeakPolarHBondContact O-CB 3.21Å; P687-L690 PolarHBondContact O-N 3.08Å; P687-A691 WeakPolarHBondContact O-CB 3.4Å; P687-A691 PolarHBondContact O-N 3.48Å |
| 688 | D | 96.1 | Very high | 96.2 | Very high | 64 Ų | 64 | 50.2 Ų | 50.2 | 34% | 0.342 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 172.7 | 65.3 | -46.5 | 0 | 0 | 0 | 112.1 | H686 L690 A691 I692 | H686-D688 VanDerWaalsContact C-OD1 3.25Å; H686-D688 VanDerWaalsContact CA-OD1 3.28Å; H686-D688 WeakPolarHBondContact CA-OD1 3.36Å; H686-D688 WeakPolarHBondContact CB-OD1 3.27Å; H686-D688 IonicContact ND1-OD1 3.5Å; H686-D688 PolarHBondContact O-N 3.29Å; D688-L690 VanDerWaalsContact C-N 3.26Å; D688-L690 PolarHBondContact O-N 3.45Å; D688-A691 WeakPolarHBondContact O-CB 3.23Å; D688-A691 PolarHBondContact O-N 2.8Å; D688-I692 WeakPolarHBondContact O-CG1 3.46Å; D688-I692 PolarHBondContact O-N 3.38Å |
| 689 | K | 96.4 | Very high | 96.2 | Very high | 105 Ų | 105 | 55.1 Ų | 55.1 | 46% | 0.457 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.6 | -37 | 174.4 | -67.3 | 179.1 | -175.9 | 166.1 | 0 | 111.4 | H686 L693 V747 | H686-K689 HydrophobicContact CB-CB 4.25Å; H686-K689 HydrophobicContact CB-CD 3.79Å; H686-K689 HydrophobicContact CB-CG 4.02Å; H686-K689 PolarHBondContact O-N 3.45Å; K689-L693 PolarHBondContact O-N 3.41Å; K689-V747 HydrophobicContact CB-CG2 4.42Å |
| 690 | L | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.6 | -40.3 | 175.3 | -175 | 62.3 | 0 | 0 | 0 | 111.5 | L667 F669 L684 H686 P687 D688 I692 L693 W694 V745 V747 | L667-L690 HydrophobicContact CD1-CD2 3.69Å; F669-L690 HydrophobicContact CE2-CG 4.29Å; F669-L690 HydrophobicContact CZ-CB 4.42Å; F669-L690 HydrophobicContact CZ-CD2 3.94Å; F669-L690 HydrophobicContact CZ-CG 3.81Å; L684-L690 HydrophobicContact CD2-CD2 3.93Å; H686-L690 PolarHBondContact O-N 3.34Å; P687-L690 WeakPolarHBondContact O-CB 3.21Å; P687-L690 PolarHBondContact O-N 3.08Å; D688-L690 VanDerWaalsContact C-N 3.26Å; D688-L690 PolarHBondContact O-N 3.45Å; L690-I692 PolarHBondContact O-N 2.82Å; L690-L693 HydrophobicContact CD1-CD2 4.43Å; L690-L693 PolarHBondContact O-N 2.73Å; L690-W694 VanDerWaalsContact CD1-CD1 3.44Å; L690-W694 PolarHBondContact O-N 2.88Å; L690-V745 HydrophobicContact CD2-CB 3.91Å; L690-V745 HydrophobicContact CD2-CG1 4.17Å; L690-V747 HydrophobicContact CB-CG2 3.99Å; L690-V747 HydrophobicContact CD1-CG2 3.87Å |
| 691 | A | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y644 F669 P687 D688 L693 W694 N695 | Y644-A691 HydrophobicContact CE1-CB 4.37Å; F669-A691 HydrophobicContact CD1-CB 3.5Å; F669-A691 VanDerWaalsContact CD1-CB 3.5Å; F669-A691 HydrophobicContact CE1-CB 3.71Å; F669-A691 HydrophobicContact CG-CB 4.32Å; P687-A691 WeakPolarHBondContact O-CB 3.4Å; P687-A691 PolarHBondContact O-N 3.48Å; D688-A691 WeakPolarHBondContact O-CB 3.23Å; D688-A691 PolarHBondContact O-N 2.8Å; A691-L693 PolarHBondContact O-N 2.8Å; A691-W694 PolarHBondContact O-N 3.49Å; A691-N695 WeakPolarHBondContact O-CB 3.44Å; A691-N695 PolarHBondContact O-N 3.44Å; A691-N695 PolarHBondContact O-ND2 3.31Å |
| 692 | I | 97.7 | Very high | 96.5 | Very high | 101 Ų | 101 | 50.5 Ų | 50.5 | 52% | 0.518 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.7 | -51.1 | 175.3 | -66.8 | 165.7 | 0 | 0 | 0 | 110.3 | D688 L690 W694 N695 D696 | D688-I692 WeakPolarHBondContact O-CG1 3.46Å; D688-I692 PolarHBondContact O-N 3.38Å; L690-I692 PolarHBondContact O-N 2.82Å; I692-W694 PolarHBondContact O-N 2.83Å; I692-N695 PolarHBondContact O-N 2.79Å; I692-D696 PolarHBondContact O-N 3.48Å |
| 693 | L | 97.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -50 | -179.7 | 173.2 | 64.2 | 0 | 0 | 0 | 112.3 | K689 L690 A691 D696 I697 V747 V750 K751 F794 | K689-L693 PolarHBondContact O-N 3.41Å; L690-L693 HydrophobicContact CD1-CD2 4.43Å; L690-L693 PolarHBondContact O-N 2.73Å; A691-L693 PolarHBondContact O-N 2.8Å; L693-D696 PolarHBondContact O-N 3.5Å; L693-I697 HydrophobicContact CD1-CD1 4.11Å; L693-I697 HydrophobicContact CD1-CG1 4.45Å; L693-I697 HydrophobicContact CG-CD1 4Å; L693-I697 VanDerWaalsContact O-CG1 3.32Å; L693-I697 WeakPolarHBondContact O-CG1 3.23Å; L693-I697 PolarHBondContact O-N 3.13Å; L693-V747 HydrophobicContact CD2-CB 4.3Å; L693-V747 HydrophobicContact CD2-CG1 4.16Å; L693-V747 HydrophobicContact CD2-CG2 4.21Å; L693-V750 HydrophobicContact CD1-CG1 4.11Å; L693-V750 HydrophobicContact CD2-CB 3.77Å; L693-V750 HydrophobicContact CD2-CG1 3.74Å; L693-V750 HydrophobicContact CD2-CG2 4.19Å; L693-V750 HydrophobicContact CG-CG1 4.33Å; L693-K751 HydrophobicContact CD1-CG 4.33Å; L693-F794 HydrophobicContact CD1-CD1 4.42Å; L693-F794 HydrophobicContact CD1-CE1 3.97Å |
| 694 | W | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.2 | -32.5 | -178.9 | -83.8 | 101.5 | 0 | 0 | 0 | 113.1 | F669 I672 L674 L690 A691 I692 D696 I697 M698 F717 L744 I755 L762 | F669-W694 HydrophobicContact CD2-CB 3.51Å; F669-W694 AromaticContact CD2-CG 3.92Å; F669-W694 HydrophobicContact CD2-CG 3.92Å; F669-W694 HydrophobicContact CE2-CB 3.84Å; F669-W694 AromaticContact CE2-CD1 3.6Å; F669-W694 AromaticContact CE2-CG 3.8Å; F669-W694 HydrophobicContact CE2-CG 3.8Å; F669-W694 HydrophobicContact CG-CB 4.37Å; I672-W694 HydrophobicContact CD1-CE3 3.96Å; I672-W694 HydrophobicContact CD1-CZ3 3.79Å; I672-W694 HydrophobicContact CG2-CB 4.14Å; I672-W694 HydrophobicContact CG2-CD2 4.41Å; I672-W694 HydrophobicContact CG2-CE3 4.08Å; I672-W694 HydrophobicContact CG2-CG 4.48Å; L674-W694 HydrophobicContact CD1-CD2 4.39Å; L674-W694 HydrophobicContact CD1-CZ2 4.1Å; L674-W694 HydrophobicContact CD2-CH2 4.3Å; L674-W694 HydrophobicContact CD2-CZ2 4.08Å; L690-W694 VanDerWaalsContact CD1-CD1 3.44Å; L690-W694 PolarHBondContact O-N 2.88Å; A691-W694 PolarHBondContact O-N 3.49Å; I692-W694 PolarHBondContact O-N 2.83Å; W694-D696 VanDerWaalsContact C-N 3.35Å; W694-I697 HydrophobicContact CD2-CD1 4.14Å; W694-I697 HydrophobicContact CE3-CB 4.38Å; W694-I697 HydrophobicContact CE3-CD1 4.05Å; W694-I697 HydrophobicContact CE3-CG2 4.2Å; W694-I697 HydrophobicContact CZ3-CD1 4.4Å; W694-I697 HydrophobicContact CZ3-CG2 4.27Å; W694-I697 PolarHBondContact O-N 3.43Å; W694-M698 WeakPolarHBondContact O-CB 3.47Å; W694-M698 VanDerWaalsContact O-CG 3.32Å; W694-M698 WeakPolarHBondContact O-CG 3.47Å; W694-M698 PolarHBondContact O-N 3.05Å; W694-F717 HydrophobicContact CH2-CE2 4.38Å; W694-F717 HydrophobicContact CZ3-CE2 4.49Å; W694-L744 HydrophobicContact CH2-CD2 3.93Å; W694-L744 HydrophobicContact CZ2-CB 4.35Å; W694-L744 HydrophobicContact CZ2-CD2 3.79Å; W694-L744 PolarHBondContact NE1-O 3.18Å; W694-I755 HydrophobicContact CH2-CD1 3.9Å; W694-I755 HydrophobicContact CZ2-CD1 4.02Å; W694-L762 HydrophobicContact CZ3-CD1 4.14Å |
| 695 | N | 98.2 | Very high | 97.2 | Very high | 32 Ų | 32 | 35.7 Ų | 35.7 | 17% | 0.171 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 171.8 | -75.5 | -10.6 | 0 | 0 | 0 | 111.1 | D670 A691 I692 M698 K699 | D670-N695 WeakPolarHBondContact CB-OD1 3.38Å; D670-N695 PolarHBondContact N-OD1 2.89Å; D670-N695 VanDerWaalsContact N-OD1 3.15Å; D670-N695 PolarHBondContact OD2-ND2 3.19Å; A691-N695 WeakPolarHBondContact O-CB 3.44Å; A691-N695 PolarHBondContact O-N 3.44Å; A691-N695 PolarHBondContact O-ND2 3.31Å; I692-N695 PolarHBondContact O-N 2.79Å; N695-M698 PolarHBondContact O-N 2.9Å; N695-K699 VanDerWaalsContact O-CB 3.27Å; N695-K699 WeakPolarHBondContact O-CB 3.39Å; N695-K699 PolarHBondContact O-N 3.35Å |
| 696 | D | 98.1 | Very high | 97.4 | Very high | 80 Ų | 80 | 31.8 Ų | 31.8 | 43% | 0.428 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 175.5 | -72.2 | -24.3 | 0 | 0 | 0 | 112.1 | I692 L693 W694 K699 A700 V793 | I692-D696 PolarHBondContact O-N 3.48Å; L693-D696 PolarHBondContact O-N 3.5Å; W694-D696 VanDerWaalsContact C-N 3.35Å; D696-K699 PolarHBondContact O-N 2.97Å; D696-A700 PolarHBondContact O-N 3.45Å; D696-V793 HydrophobicContact CB-CG1 3.96Å |
| 697 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.9 | -55 | 173.5 | -70.1 | 164.9 | 0 | 0 | 0 | 110.1 | L693 W694 K699 A700 I701 V750 I755 I759 V789 V793 F794 | L693-I697 HydrophobicContact CD1-CD1 4.11Å; L693-I697 HydrophobicContact CD1-CG1 4.45Å; L693-I697 HydrophobicContact CG-CD1 4Å; L693-I697 VanDerWaalsContact O-CG1 3.32Å; L693-I697 WeakPolarHBondContact O-CG1 3.23Å; L693-I697 PolarHBondContact O-N 3.13Å; W694-I697 HydrophobicContact CD2-CD1 4.14Å; W694-I697 HydrophobicContact CE3-CB 4.38Å; W694-I697 HydrophobicContact CE3-CD1 4.05Å; W694-I697 HydrophobicContact CE3-CG2 4.2Å; W694-I697 HydrophobicContact CZ3-CD1 4.4Å; W694-I697 HydrophobicContact CZ3-CG2 4.27Å; W694-I697 PolarHBondContact O-N 3.43Å; I697-K699 VanDerWaalsContact C-N 3.28Å; I697-K699 PolarHBondContact O-N 2.9Å; I697-A700 WeakPolarHBondContact O-CB 3.47Å; I697-A700 PolarHBondContact O-N 3.46Å; I697-I701 HydrophobicContact CG2-CG1 4.39Å; I697-I701 WeakPolarHBondContact O-CG1 3.36Å; I697-I701 PolarHBondContact O-N 3.32Å; I697-V750 HydrophobicContact CD1-CG1 4.36Å; I697-I755 HydrophobicContact CD1-CD1 4.24Å; I697-I759 HydrophobicContact CG2-CD1 3.57Å; I697-V789 HydrophobicContact CG1-CG1 4.18Å; I697-V789 HydrophobicContact CG2-CG1 4.23Å; I697-V793 HydrophobicContact CG1-CG1 4.21Å; I697-F794 HydrophobicContact CD1-CE1 3.73Å; I697-F794 HydrophobicContact CD1-CZ 3.7Å; I697-F794 HydrophobicContact CG1-CE1 3.63Å; I697-F794 HydrophobicContact CG1-CZ 3.79Å |
| 698 | M | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.3 | -31.7 | -175.8 | -70 | -56.2 | -62.8 | 0 | 0 | 112.6 | N671 I672 W694 N695 I701 A702 F711 E715 L762 | N671-M698 HydrophobicContact CB-CB 3.76Å; N671-M698 HydrophobicContact CB-CE 4.1Å; N671-M698 HydrophobicContact CB-CG 4.03Å; I672-M698 HydrophobicContact CB-CG 4.02Å; I672-M698 HydrophobicContact CB-SD 4.24Å; I672-M698 HydrophobicContact CD1-SD 3.95Å; I672-M698 HydrophobicContact CG2-CG 3.93Å; W694-M698 WeakPolarHBondContact O-CB 3.47Å; W694-M698 VanDerWaalsContact O-CG 3.32Å; W694-M698 WeakPolarHBondContact O-CG 3.47Å; W694-M698 PolarHBondContact O-N 3.05Å; N695-M698 PolarHBondContact O-N 2.9Å; M698-I701 PolarHBondContact O-N 2.9Å; M698-I701 HydrophobicContact SD-CG1 4.34Å; M698-A702 WeakPolarHBondContact O-CB 3.4Å; M698-A702 PolarHBondContact O-N 3.43Å; M698-F711 HydrophobicContact CE-CD2 3.89Å; M698-F711 HydrophobicContact CE-CE2 3.39Å; M698-F711 HydrophobicContact CE-CZ 3.89Å; M698-E715 HydrophobicContact CE-CB 4.21Å; M698-E715 HydrophobicContact CE-CG 3.75Å; M698-L762 HydrophobicContact CE-CD2 4.26Å; M698-L762 HydrophobicContact SD-CD1 3.92Å; M698-L762 HydrophobicContact SD-CD2 3.98Å |
| 699 | K | 98.1 | Very high | 97.3 | Very high | 103 Ų | 103 | 37.4 Ų | 37.4 | 45% | 0.448 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63 | -43.9 | 170.7 | -175.6 | 179.7 | 177.2 | -175.6 | 0 | 111.2 | N695 D696 I697 I701 A702 D703 H709 | N695-K699 VanDerWaalsContact O-CB 3.27Å; N695-K699 WeakPolarHBondContact O-CB 3.39Å; N695-K699 PolarHBondContact O-N 3.35Å; D696-K699 PolarHBondContact O-N 2.97Å; I697-K699 VanDerWaalsContact C-N 3.28Å; I697-K699 PolarHBondContact O-N 2.9Å; K699-I701 VanDerWaalsContact C-N 3.35Å; K699-A702 WeakPolarHBondContact O-CB 3.31Å; K699-A702 PolarHBondContact O-N 3.03Å; K699-D703 WeakPolarHBondContact O-CB 3.37Å; K699-D703 PolarHBondContact O-N 3.11Å; K699-H709 HydrophobicContact CG-CB 4.34Å |
| 700 | A | 98.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 5% | 0.05 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -36.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | D696 I697 D703 L704 Y788 V789 V793 | D696-A700 PolarHBondContact O-N 3.45Å; I697-A700 WeakPolarHBondContact O-CB 3.47Å; I697-A700 PolarHBondContact O-N 3.46Å; A700-D703 PolarHBondContact O-N 2.87Å; A700-L704 PolarHBondContact O-N 2.79Å; A700-Y788 HydrophobicContact CB-CD1 4.25Å; A700-Y788 HydrophobicContact CB-CE1 3.93Å; A700-Y788 VanDerWaalsContact O-CE1 3.31Å; A700-Y788 WeakPolarHBondContact O-CE1 3.1Å; A700-V789 HydrophobicContact CB-CG2 4.13Å; A700-V793 HydrophobicContact CB-CG2 3.38Å |
| 701 | I | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.6 | -49.8 | 172.2 | -62.6 | -65.1 | 0 | 0 | 0 | 110.8 | I697 M698 K699 A705 F711 I759 L762 Q766 W785 V789 | I697-I701 HydrophobicContact CG2-CG1 4.39Å; I697-I701 WeakPolarHBondContact O-CG1 3.36Å; I697-I701 PolarHBondContact O-N 3.32Å; M698-I701 PolarHBondContact O-N 2.9Å; M698-I701 HydrophobicContact SD-CG1 4.34Å; K699-I701 VanDerWaalsContact C-N 3.35Å; I701-A705 VanDerWaalsContact O-CB 3.31Å; I701-A705 WeakPolarHBondContact O-CB 3.33Å; I701-A705 PolarHBondContact O-N 2.99Å; I701-A705 VanDerWaalsContact O-N 3.12Å; I701-F711 HydrophobicContact CG2-CZ 4.15Å; I701-I759 HydrophobicContact CD1-CG2 3.98Å; I701-L762 HydrophobicContact CD1-CB 4.02Å; I701-L762 HydrophobicContact CG1-CB 4.43Å; I701-L762 HydrophobicContact CG1-CD1 4.42Å; I701-Q766 HydrophobicContact CG2-CG 3.61Å; I701-W785 HydrophobicContact CD1-CB 4.01Å; I701-W785 HydrophobicContact CD1-CG 4.16Å; I701-W785 PolarHBondContact O-NE1 3.04Å; I701-W785 VanDerWaalsContact O-NE1 3.12Å; I701-V789 HydrophobicContact CD1-CG2 3.78Å; I701-V789 HydrophobicContact CG1-CG2 4.39Å |
| 702 | A | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M698 K699 A705 A706 K707 F711 | M698-A702 WeakPolarHBondContact O-CB 3.4Å; M698-A702 PolarHBondContact O-N 3.43Å; K699-A702 WeakPolarHBondContact O-CB 3.31Å; K699-A702 PolarHBondContact O-N 3.03Å; A702-A705 CarbonylContact O-C 3.58Å; A702-A705 PolarHBondContact O-N 3.23Å; A702-A706 PolarHBondContact O-N 2.96Å; A702-K707 PolarHBondContact O-N 3.47Å; A702-F711 HydrophobicContact CB-CD1 4.38Å; A702-F711 HydrophobicContact CB-CE1 3.54Å; A702-F711 HydrophobicContact CB-CZ 4.37Å |
| 703 | D | 98.1 | Very high | 96 | Very high | 50 Ų | 50 | 40.8 Ų | 40.8 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.9 | -48.8 | -176.6 | -178.7 | 28.9 | 0 | 0 | 0 | 111.2 | K699 A700 A705 A706 Y788 K849 | K699-D703 WeakPolarHBondContact O-CB 3.37Å; K699-D703 PolarHBondContact O-N 3.11Å; A700-D703 PolarHBondContact O-N 2.87Å; D703-A705 VanDerWaalsContact C-N 3.31Å; D703-A705 PolarHBondContact O-N 3.38Å; D703-A706 PolarHBondContact O-N 3.48Å; D703-A706 VanDerWaalsContact O-N 3.08Å; D703-Y788 PolarHBondContact OD2-OH 3.38Å; D703-K849 WeakPolarHBondContact OD1-CE 3.38Å; D703-K849 IonicContact OD1-NZ 3.27Å; D703-K849 PolarHBondContact OD1-NZ 2.93Å; D703-K849 WeakPolarHBondContact OD2-CE 3.3Å; D703-K849 IonicContact OD2-NZ 3.03Å; D703-K849 PolarHBondContact OD2-NZ 3.42Å |
| 704 | L | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 174.1 | -178 | 61.8 | 0 | 0 | 0 | 111.3 | A700 A706 L784 W785 Y788 W845 F848 K849 F852 | A700-L704 PolarHBondContact O-N 2.79Å; L704-A706 PolarHBondContact O-N 3.38Å; L704-A706 VanDerWaalsContact O-N 3.11Å; L704-L784 HydrophobicContact CD2-CB 4.17Å; L704-W785 HydrophobicContact CD2-CB 4.46Å; L704-W785 HydrophobicContact CD2-CD2 3.89Å; L704-W785 HydrophobicContact CD2-CG 3.85Å; L704-W785 HydrophobicContact CG-CZ2 4.45Å; L704-Y788 HydrophobicContact CB-CD1 3.65Å; L704-Y788 HydrophobicContact CB-CE1 3.86Å; L704-Y788 HydrophobicContact CB-CG 4.15Å; L704-Y788 HydrophobicContact CD1-CD2 4.46Å; L704-Y788 HydrophobicContact CD1-CG 4.43Å; L704-Y788 HydrophobicContact CD2-CD1 4.17Å; L704-Y788 HydrophobicContact CD2-CG 3.94Å; L704-Y788 HydrophobicContact CG-CD1 4.38Å; L704-Y788 HydrophobicContact CG-CG 4.4Å; L704-W845 HydrophobicContact CD1-CE3 3.74Å; L704-W845 HydrophobicContact CD1-CZ3 4.07Å; L704-W845 HydrophobicContact CD2-CZ3 4.24Å; L704-F848 HydrophobicContact CD1-CB 4.18Å; L704-K849 HydrophobicContact CD1-CG 4.46Å; L704-F852 HydrophobicContact CG-CE2 4.38Å; L704-F852 WeakPolarHBondContact O-CD2 3.31Å |
| 705 | A | 96.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -3.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I701 A702 D703 K707 Q766 W785 H856 | I701-A705 VanDerWaalsContact O-CB 3.31Å; I701-A705 WeakPolarHBondContact O-CB 3.33Å; I701-A705 PolarHBondContact O-N 2.99Å; I701-A705 VanDerWaalsContact O-N 3.12Å; A702-A705 CarbonylContact O-C 3.58Å; A702-A705 PolarHBondContact O-N 3.23Å; D703-A705 VanDerWaalsContact C-N 3.31Å; D703-A705 PolarHBondContact O-N 3.38Å; A705-K707 VanDerWaalsContact C-N 3.28Å; A705-K707 HydrophobicContact CB-CD 4.16Å; A705-K707 HydrophobicContact CB-CG 4.18Å; A705-K707 PolarHBondContact O-N 2.76Å; A705-Q766 HydrophobicContact CB-CB 4.34Å; A705-Q766 HydrophobicContact CB-CG 4.23Å; A705-W785 HydrophobicContact CB-CZ2 3.96Å; A705-H856 PolarHBondContact O-NE2 3.18Å |
| 706 | A | 96.7 | Very high | 95.7 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 26% | 0.264 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 43.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113 | A702 D703 L704 K849 F852 A853 H856 | A702-A706 PolarHBondContact O-N 2.96Å; D703-A706 PolarHBondContact O-N 3.48Å; D703-A706 VanDerWaalsContact O-N 3.08Å; L704-A706 PolarHBondContact O-N 3.38Å; L704-A706 VanDerWaalsContact O-N 3.11Å; A706-K849 WeakPolarHBondContact CB-O 3.21Å; A706-F852 HydrophobicContact CB-CB 4.25Å; A706-A853 HydrophobicContact CB-CB 3.89Å; A706-H856 PolarHBondContact O-CD2 3.23Å |
| 707 | K | 93.6 | Very high | 95.7 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 31% | 0.313 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -115 | 161.6 | 178 | -70.8 | 179.3 | -176 | 171.1 | 0 | 110.9 | A702 A705 H709 | A702-K707 PolarHBondContact O-N 3.47Å; A705-K707 VanDerWaalsContact C-N 3.28Å; A705-K707 HydrophobicContact CB-CD 4.16Å; A705-K707 HydrophobicContact CB-CG 4.18Å; A705-K707 PolarHBondContact O-N 2.76Å; K707-H709 PolarHBondContact O-N 2.79Å |
| 708 | P | 94.2 | Very high | 95.7 | Very high | 104 Ų | 104 | 37.7 Ų | 37.7 | 68% | 0.675 | 19% | 0.191 | S | C | * | . | trans | -52.5 | 138.7 | 170.2 | -25.7 | 35.1 | 0 | 0 | 0 | 111.9 | K710 | P708-K710 PolarHBondContact O-N 2.87Š| ||
| 709 | H | 95.1 | Very high | 95.6 | Very high | 91 Ų | 91 | 37.7 Ų | 37.7 | 42% | 0.421 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -64.1 | -22.4 | -179.5 | -65.3 | 160.9 | 0 | 0 | 0 | 113.5 | N671 K699 K707 | N671-H709 PolarHBondContact ND2-O 3.43Å; K699-H709 HydrophobicContact CG-CB 4.34Å; K707-H709 PolarHBondContact O-N 2.79Å |
| 710 | K | 92.3 | Very high | 95.6 | Very high | 124 Ų | 124 | 33 Ų | 33 | 54% | 0.539 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -93.1 | 121.2 | 170.6 | -177.2 | 64.5 | 177.9 | 179.9 | 0 | 108.1 | D670 P708 | D670-K710 PolarHBondContact O-NZ 3.47Å; P708-K710 PolarHBondContact O-N 2.87Å |
| 711 | F | 91.1 | Very high | 95.5 | Very high | 18 Ų | 18 | 34 Ų | 34 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | trans | -76.5 | 141.8 | 176.5 | -78.4 | 16.1 | 0 | 0 | 0 | 109.9 | N671 M698 I701 A702 R713 E715 | N671-F711 HydrophobicContact CB-CB 4.37Å; N671-F711 HydrophobicContact CB-CG 4.3Å; N671-F711 PolarHBondContact OD1-N 3Å; M698-F711 HydrophobicContact CE-CD2 3.89Å; M698-F711 HydrophobicContact CE-CE2 3.39Å; M698-F711 HydrophobicContact CE-CZ 3.89Å; I701-F711 HydrophobicContact CG2-CZ 4.15Å; A702-F711 HydrophobicContact CB-CD1 4.38Å; A702-F711 HydrophobicContact CB-CE1 3.54Å; A702-F711 HydrophobicContact CB-CZ 4.37Å; F711-R713 WeakPolarHBondContact CB-O 3.42Å; F711-R713 PolarHBondContact O-N 3.44Å; F711-E715 HydrophobicContact CD2-CG 4.04Å; F711-E715 HydrophobicContact CE2-CG 3.94Å | ||
| 712 | P | 86.5 | Confident | 95.4 | Very high | 68 Ų | 68 | 35.2 Ų | 35.2 | 44% | 0.442 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -65.7 | -26.5 | 175.4 | 27.4 | -34.7 | 0 | 0 | 0 | 111.9 | E544 | E544-P712 HydrophobicContact CB-CB 4.29Å; E544-P712 HydrophobicContact CG-CB 3.74Å; E544-P712 VanDerWaalsContact OE2-CB 3.28Å; E544-P712 WeakPolarHBondContact OE2-CB 2.9Å; E544-P712 WeakPolarHBondContact OE2-CG 3.17Å |
| 713 | R | 90.9 | Very high | 95.3 | Very high | 70 Ų | 70 | 36 Ų | 36 | 26% | 0.264 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -135.5 | 133.4 | 173.5 | 180 | -178.8 | 69.1 | 167.2 | 4.9 | 109 | E547 E548 F711 Y732 | E547-R713 WeakPolarHBondContact O-CD 3.46Å; E547-R713 PolarHBondContact O-NH1 2.91Å; E548-R713 HydrophobicContact CB-CG 4.13Å; E548-R713 HydrophobicContact CG-CG 4.08Å; F711-R713 WeakPolarHBondContact CB-O 3.42Å; F711-R713 PolarHBondContact O-N 3.44Å; R713-Y732 HydrophobicContact CG-CE2 4.37Å |
| 714 | K | 94.3 | Very high | 95.1 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 14% | 0.135 | 19% | 0.186 | C | C | . | . | trans | -64.3 | 137 | 174.5 | -60.4 | -175.9 | -177.6 | -167.7 | 0 | 110.6 | E668 F669 D670 N671 I673 Y732 | E668-K714 VanDerWaalsContact CD-NZ 3.29Å; E668-K714 HydrophobicContact CG-CD 4.29Å; E668-K714 IonicContact OE1-NZ 2.87Å; E668-K714 PolarHBondContact OE1-NZ 3.39Å; F669-K714 VanDerWaalsContact O-CE 3.3Å; F669-K714 WeakPolarHBondContact O-CE 3.32Å; F669-K714 PolarHBondContact O-NZ 3.29Å; D670-K714 WeakPolarHBondContact O-CE 3.34Å; N671-K714 CarbonylContact O-C 3.6Å; N671-K714 VanDerWaalsContact O-CA 3.3Å; N671-K714 WeakPolarHBondContact O-CA 3.32Å; I673-K714 HydrophobicContact CD1-CB 4.45Å; I673-K714 HydrophobicContact CD1-CD 4.02Å; I673-K714 HydrophobicContact CG1-CB 4.39Å; I673-K714 HydrophobicContact CG1-CD 4Å; K714-Y732 WeakPolarHBondContact O-CE2 3.3Å | ||
| 715 | E | 96.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 41.7 Ų | 41.7 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 162.5 | 166.2 | -66.7 | -64.7 | 172.2 | 0 | 0 | 110.8 | N671 I672 I673 M698 F711 L762 N765 | N671-E715 PolarHBondContact O-N 3.29Å; I672-E715 CarbonylContact C-O 3.54Å; I672-E715 VanDerWaalsContact CA-O 3.26Å; I672-E715 WeakPolarHBondContact CA-O 3.15Å; I672-E715 HydrophobicContact CB-CB 4.41Å; I672-E715 HydrophobicContact CD1-CB 4.28Å; I672-E715 HydrophobicContact CG1-CB 3.95Å; I673-E715 PolarHBondContact N-O 2.95Å; M698-E715 HydrophobicContact CE-CB 4.21Å; M698-E715 HydrophobicContact CE-CG 3.75Å; F711-E715 HydrophobicContact CD2-CG 4.04Å; F711-E715 HydrophobicContact CE2-CG 3.94Å; E715-L762 HydrophobicContact CB-CD2 4.18Å; E715-L762 HydrophobicContact CG-CD2 4.05Å; E715-N765 PolarHBondContact OE2-ND2 2.96Å |
| 716 | R | 97.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 139.7 | 180 | -71.9 | -175.5 | 165.5 | -95.1 | 2 | 111.2 | W549 S551 E666 I673 Y732 P733 I734 | W549-R716 PolarHBondContact O-NH2 2.7Å; S551-R716 PolarHBondContact OG-NH1 2.69Å; S551-R716 PolarHBondContact OG-NH2 2.95Å; E666-R716 IonicContact OE1-CZ 3.34Å; E666-R716 IonicContact OE1-NH1 2.65Å; E666-R716 PolarHBondContact OE1-NH1 3.46Å; I673-R716 HydrophobicContact CB-CG 4.24Å; I673-R716 VanDerWaalsContact CD1-CZ 3.48Å; I673-R716 CarbonylContact O-C 3.49Å; I673-R716 WeakPolarHBondContact O-CA 3.02Å; R716-Y732 HydrophobicContact CB-CD2 4.45Å; R716-Y732 HydrophobicContact CB-CE2 4.12Å; R716-Y732 HydrophobicContact CG-CE2 3.74Å; R716-Y732 PolarHBondContact NE-OH 3.09Å; R716-P733 HydrophobicContact CB-CB 3.78Å; R716-I734 WeakPolarHBondContact O-CB 3.47Å; R716-I734 PolarHBondContact O-N 2.82Å |
| 717 | F | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 144.4 | 165.8 | -91 | -87.5 | 0 | 0 | 0 | 110.8 | I672 I673 L674 T675 W694 I734 A736 L744 A758 L762 | I672-F717 HydrophobicContact CD1-CD2 3.62Å; I672-F717 HydrophobicContact CD1-CE2 3.77Å; I672-F717 HydrophobicContact CG1-CD2 4.39Å; I673-F717 PolarHBondContact O-N 2.71Å; L674-F717 HydrophobicContact CD2-CB 3.95Å; L674-F717 HydrophobicContact CD2-CD2 3.96Å; L674-F717 HydrophobicContact CD2-CG 4.29Å; T675-F717 WeakPolarHBondContact CA-O 3.42Å; T675-F717 VanDerWaalsContact CB-O 3.28Å; T675-F717 WeakPolarHBondContact CB-O 3.29Å; T675-F717 PolarHBondContact N-O 3.45Å; T675-F717 PolarHBondContact OG1-O 3.26Å; W694-F717 HydrophobicContact CH2-CE2 4.38Å; W694-F717 HydrophobicContact CZ3-CE2 4.49Å; F717-I734 CarbonylContact C-O 3.57Å; F717-I734 VanDerWaalsContact CA-O 3.31Å; F717-I734 WeakPolarHBondContact CA-O 3.48Å; F717-I734 HydrophobicContact CD1-CB 3.88Å; F717-I734 HydrophobicContact CD1-CG2 3.66Å; F717-I734 HydrophobicContact CD2-CD1 4.38Å; F717-I734 HydrophobicContact CE1-CB 3.83Å; F717-I734 HydrophobicContact CE1-CD1 4.35Å; F717-I734 HydrophobicContact CE1-CG2 3.22Å; F717-I734 HydrophobicContact CE2-CB 4.44Å; F717-I734 HydrophobicContact CE2-CD1 3.75Å; F717-I734 HydrophobicContact CG-CB 4.24Å; F717-I734 HydrophobicContact CG-CG2 4.47Å; F717-I734 HydrophobicContact CZ-CB 4.1Å; F717-I734 HydrophobicContact CZ-CD1 3.73Å; F717-I734 HydrophobicContact CZ-CG2 3.69Å; F717-A736 HydrophobicContact CD1-CB 4.48Å; F717-L744 HydrophobicContact CB-CD1 4.49Å; F717-L744 HydrophobicContact CD1-CD1 4.31Å; F717-L744 HydrophobicContact CG-CD1 4.5Å; F717-A758 HydrophobicContact CE1-CB 4.23Å; F717-A758 HydrophobicContact CZ-CB 3.92Å; F717-L762 HydrophobicContact CE2-CD1 4.13Å; F717-L762 HydrophobicContact CE2-CD2 4.21Å; F717-L762 HydrophobicContact CE2-CG 4.01Å; F717-L762 HydrophobicContact CZ-CG 4.28Å |
| 718 | V | 98.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 119 | 167.7 | 177.2 | 0 | 0 | 0 | 0 | 109.2 | C581 Q582 W664 T675 D720 P733 I734 M735 A736 | C581-V718 HydrophobicContact CB-CG2 4.16Å; C581-V718 WeakPolarHBondContact O-CG2 3.37Å; Q582-V718 HydrophobicContact CG-CG1 4.44Å; W664-V718 HydrophobicContact CZ3-CG1 4.37Å; T675-V718 WeakPolarHBondContact O-CA 3.47Å; V718-D720 HydrophobicContact CG1-CB 4.34Å; V718-P733 HydrophobicContact CB-CB 4.43Å; V718-P733 HydrophobicContact CB-CG 4.36Å; V718-P733 HydrophobicContact CG2-CB 3.68Å; V718-P733 HydrophobicContact CG2-CG 3.66Å; V718-I734 PolarHBondContact N-O 3.04Å; V718-M735 HydrophobicContact CB-CE 4.37Å; V718-M735 HydrophobicContact CB-SD 3.77Å; V718-M735 HydrophobicContact CG1-CE 4.15Å; V718-M735 HydrophobicContact CG1-SD 4.15Å; V718-M735 HydrophobicContact CG2-SD 4.4Å; V718-A736 PolarHBondContact O-N 3.2Å |
| 719 | A | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 102.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | W664 T675 V676 A736 A741 | W664-A719 WeakPolarHBondContact CH2-O 3.42Å; W664-A719 WeakPolarHBondContact CZ3-O 3.39Å; T675-A719 PolarHBondContact O-N 3.25Å; V676-A719 HydrophobicContact CG1-CB 4.23Å; A719-A736 CarbonylContact C-O 3.57Å; A719-A736 VanDerWaalsContact CA-O 3.31Å; A719-A736 WeakPolarHBondContact CA-O 3.19Å; A719-A741 HydrophobicContact CB-CB 3.7Å |
| 720 | D | 96.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.032 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 153.7 | -169.2 | -163.7 | 13.1 | 0 | 0 | 0 | 113 | Q582 R593 V718 Q722 I723 M735 A736 H737 R738 | Q582-D720 WeakPolarHBondContact CG-OD2 3.36Å; R593-D720 IonicContact CZ-OD2 3.77Å; R593-D720 VanDerWaalsContact CZ-OD2 3.3Å; R593-D720 IonicContact NE-OD1 2.73Å; R593-D720 IonicContact NE-OD2 2.83Å; R593-D720 PolarHBondContact NE-OD2 3.13Å; R593-D720 IonicContact NH2-OD2 2.84Å; R593-D720 PolarHBondContact NH2-OD2 3.49Å; V718-D720 HydrophobicContact CG1-CB 4.34Å; D720-Q722 PolarHBondContact O-N 3.5Å; D720-I723 HydrophobicContact CB-CG2 4.24Å; D720-M735 HydrophobicContact CB-CE 3.9Å; D720-A736 PolarHBondContact N-O 3.09Å; D720-H737 CarbonylContact O-C 3.49Å; D720-H737 WeakPolarHBondContact O-CA 3.45Å; D720-R738 PolarHBondContact O-N 3.11Å |
| 721 | V | 95.8 | Very high | 94.7 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 15% | 0.152 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -62.1 | -26.1 | -178.7 | 68 | 0 | 0 | 0 | 0 | 113 | E489 K592 R593 H737 | E489-V721 HydrophobicContact CB-CG2 3.48Å; E489-V721 VanDerWaalsContact CB-CG2 3.48Å; E489-V721 HydrophobicContact CG-CG2 3.72Å; K592-V721 HydrophobicContact CB-CG2 4.21Å; R593-V721 HydrophobicContact CB-CG1 3.98Å; R593-V721 HydrophobicContact CG-CG1 4.01Å; V721-H737 PolarHBondContact O-NE2 3.49Å |
| 722 | Q | 96.8 | Very high | 94.9 | Very high | 27 Ų | 27 | 37.3 Ų | 37.3 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | trans | -155.2 | 137.2 | 175.8 | -174.3 | 175.1 | 19.3 | 0 | 0 | 109.9 | L586 E590 K592 R593 D720 | L586-Q722 HydrophobicContact CD1-CB 4.11Å; L586-Q722 HydrophobicContact CD1-CG 3.8Å; L586-Q722 HydrophobicContact CD2-CG 4.3Å; E590-Q722 PolarHBondContact O-NE2 2.94Å; K592-Q722 HydrophobicContact CB-CB 4.2Å; R593-Q722 HydrophobicContact CG-CB 4.37Å; R593-Q722 PolarHBondContact NE-O 3.01Å; R593-Q722 VanDerWaalsContact NE-O 3.09Å; R593-Q722 PolarHBondContact NH2-O 3.27Å; D720-Q722 PolarHBondContact O-N 3.5Å | ||
| 723 | I | 96.1 | Very high | 95.4 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 8% | 0.082 | 19% | 0.193 | C | C | . | . | trans | -122 | 166.7 | 179.1 | 65.6 | 176.5 | 0 | 0 | 0 | 109.9 | D584 L586 D720 H725 F727 M735 | D584-I723 WeakPolarHBondContact OD2-CA 3.41Å; L586-I723 VanDerWaalsContact CD2-C 3.44Å; D720-I723 HydrophobicContact CB-CG2 4.24Å; I723-H725 WeakPolarHBondContact CD1-O 3.29Å; I723-F727 VanDerWaalsContact CD1-C 3.44Å; I723-F727 WeakPolarHBondContact CD1-O 3.38Å; I723-M735 HydrophobicContact CB-CB 4.27Å; I723-M735 HydrophobicContact CG2-CB 3.88Å; I723-M735 HydrophobicContact CG2-CE 4.04Å | ||
| 724 | S | 94.6 | Very high | 95.7 | Very high | 38 Ų | 38 | 30.8 Ų | 30.8 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -72.8 | -32.5 | -173.6 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | D584 H729 | D584-S724 PolarHBondContact OD1-OG 2.84Å; D584-S724 WeakPolarHBondContact OD2-CB 3.14Å; D584-S724 PolarHBondContact OD2-N 2.81Å; D584-S724 PolarHBondContact OD2-OG 3.42Å; S724-H729 PolarHBondContact OG-NE2 2.95Å |
| 725 | H | 92.3 | Very high | 95.9 | Very high | 132 Ų | 132 | 29.3 Ų | 29.3 | 61% | 0.611 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -143.6 | 139.6 | -175 | -59.4 | 84.8 | 0 | 0 | 0 | 112.1 | I723 H729 | I723-H725 WeakPolarHBondContact CD1-O 3.29Å; H725-H729 HydrophobicContact CB-CB 4.47Å |
| 726 | G | 90.4 | Very high | 95.9 | Very high | 77 Ų | 77 | 28.6 Ų | 28.6 | 79% | 0.794 | 17% | 0.171 | S | C | * | . | S | Bend | trans | 59.5 | -151.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 727 | F | 92.8 | Very high | 95.8 | Very high | 123 Ų | 123 | 30.5 Ų | 30.5 | 54% | 0.539 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -99.5 | -27.4 | 174.4 | -172.8 | -104 | 0 | 0 | 0 | 112.2 | I723 H737 S740 | I723-F727 VanDerWaalsContact CD1-C 3.44Å; I723-F727 WeakPolarHBondContact CD1-O 3.38Å; F727-H737 HydrophobicContact CD2-CB 3.85Å; F727-H737 HydrophobicContact CE2-CB 3.74Å; F727-H737 HydrophobicContact CG-CB 4.43Å; F727-H737 HydrophobicContact CZ-CB 4.24Å; F727-H737 WeakPolarHBondContact O-CB 3.49Å; F727-H737 PolarHBondContact O-N 3.23Å; F727-S740 WeakPolarHBondContact CE1-OG 3.42Å |
| 728 | M | 96.4 | Very high | 95.7 | Very high | 27 Ų | 27 | 34.9 Ų | 34.9 | 13% | 0.133 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 158.4 | 165.4 | -58.4 | -178.1 | 175.2 | 0 | 0 | 107.9 | M735 A736 S740 G757 E761 | M728-M735 CarbonylContact C-O 3.56Å; M728-M735 WeakPolarHBondContact CA-O 3.34Å; M728-A736 HydrophobicContact CE-CB 4.06Å; M728-A736 HydrophobicContact CG-CB 3.77Å; M728-A736 HydrophobicContact SD-CB 4.27Å; M728-S740 WeakPolarHBondContact CE-OG 3.22Å; M728-G757 VanDerWaalsContact SD-C 3.55Å; M728-E761 HydrophobicContact CB-CG 3.64Å; M728-E761 WeakPolarHBondContact CB-OE1 3.22Å; M728-E761 HydrophobicContact SD-CG 4.37Å |
| 729 | H | 96.1 | Very high | 95.4 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 15% | 0.153 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 145.7 | 165.5 | 67.8 | 79.8 | 0 | 0 | 0 | 111.9 | D584 S724 H725 I734 M735 E761 | D584-H729 IonicContact OD1-CE1 3.84Å; D584-H729 PolarHBondContact OD1-CE1 3.42Å; D584-H729 VanDerWaalsContact OD1-CE1 3.23Å; D584-H729 IonicContact OD1-NE2 2.61Å; D584-H729 PolarHBondContact OD1-NE2 3.47Å; D584-H729 IonicContact OD2-CE1 3.43Å; D584-H729 IonicContact OD2-NE2 3.71Å; D584-H729 PolarHBondContact OD2-NE2 3.05Å; D584-H729 VanDerWaalsContact OD2-NE2 3.16Å; S724-H729 PolarHBondContact OG-NE2 2.95Å; H725-H729 HydrophobicContact CB-CB 4.47Å; H729-I734 WeakPolarHBondContact O-CG2 3.41Å; H729-M735 PolarHBondContact N-O 2.73Å; H729-M735 WeakPolarHBondContact NE2-CB 3.36Å; H729-M735 PolarHBondContact O-N 3.26Å; H729-E761 VanDerWaalsContact CA-OE2 3.29Å; H729-E761 WeakPolarHBondContact CA-OE2 3.49Å |
| 730 | A | 95.4 | Very high | 95.3 | Very high | 30 Ų | 30 | 38.4 Ų | 38.4 | 25% | 0.248 | 23% | 0.23 | C | C | . | . | trans | -64.3 | 160.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E761 H764 | A730-E761 PolarHBondContact N-OE2 3.28Å; A730-H764 HydrophobicContact CB-CB 3.43Å; A730-H764 VanDerWaalsContact CB-CB 3.43Å | ||
| 731 | G | 94.1 | Very high | 95.2 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 152.5 | -168.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P733 I734 N765 | G731-P733 CarbonylContact C-O 3.51Å; G731-P733 CarbonylContact O-C 3.51Å; G731-I734 PolarHBondContact O-N 2.97Å; G731-N765 PolarHBondContact N-OD1 3.26Å; G731-N765 PolarHBondContact O-ND2 3.06Å; G731-N765 VanDerWaalsContact O-ND2 3.11Å |
| 732 | Y | 95.3 | Very high | 95.2 | Very high | 32 Ų | 32 | 41 Ų | 41 | 13% | 0.125 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -132.6 | 90.6 | 169.8 | -171.4 | -105.7 | 0 | 0 | 0 | 109 | W549 R713 K714 R716 | W549-Y732 AromaticContact CD1-CE1 3.76Å; W549-Y732 HydrophobicContact CD2-CE1 4.43Å; W549-Y732 HydrophobicContact CG-CE1 4.15Å; W549-Y732 PolarHBondContact N-OH 2.52Å; W549-Y732 AromaticContact NE1-CE1 3.79Å; R713-Y732 HydrophobicContact CG-CE2 4.37Å; K714-Y732 WeakPolarHBondContact O-CE2 3.3Å; R716-Y732 HydrophobicContact CB-CD2 4.45Å; R716-Y732 HydrophobicContact CB-CE2 4.12Å; R716-Y732 HydrophobicContact CG-CE2 3.74Å; R716-Y732 PolarHBondContact NE-OH 3.09Å |
| 733 | P | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | S | Bend | cis | -77.2 | 162.1 | 6.3 | 33.8 | -37.7 | 0 | 0 | 0 | 114.3 | W549 R716 V718 G731 M735 | W549-P733 HydrophobicContact CH2-CG 4.44Å; R716-P733 HydrophobicContact CB-CB 3.78Å; V718-P733 HydrophobicContact CB-CB 4.43Å; V718-P733 HydrophobicContact CB-CG 4.36Å; V718-P733 HydrophobicContact CG2-CB 3.68Å; V718-P733 HydrophobicContact CG2-CG 3.66Å; G731-P733 CarbonylContact C-O 3.51Å; G731-P733 CarbonylContact O-C 3.51Å; P733-M735 HydrophobicContact CG-SD 3.75Å |
| 734 | I | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 125.5 | 158 | -59.5 | 171.8 | 0 | 0 | 0 | 107.3 | R716 F717 V718 H729 G731 E761 L762 | R716-I734 WeakPolarHBondContact O-CB 3.47Å; R716-I734 PolarHBondContact O-N 2.82Å; F717-I734 CarbonylContact C-O 3.57Å; F717-I734 VanDerWaalsContact CA-O 3.31Å; F717-I734 WeakPolarHBondContact CA-O 3.48Å; F717-I734 HydrophobicContact CD1-CB 3.88Å; F717-I734 HydrophobicContact CD1-CG2 3.66Å; F717-I734 HydrophobicContact CD2-CD1 4.38Å; F717-I734 HydrophobicContact CE1-CB 3.83Å; F717-I734 HydrophobicContact CE1-CD1 4.35Å; F717-I734 HydrophobicContact CE1-CG2 3.22Å; F717-I734 HydrophobicContact CE2-CB 4.44Å; F717-I734 HydrophobicContact CE2-CD1 3.75Å; F717-I734 HydrophobicContact CG-CB 4.24Å; F717-I734 HydrophobicContact CG-CG2 4.47Å; F717-I734 HydrophobicContact CZ-CB 4.1Å; F717-I734 HydrophobicContact CZ-CD1 3.73Å; F717-I734 HydrophobicContact CZ-CG2 3.69Å; V718-I734 PolarHBondContact N-O 3.04Å; H729-I734 WeakPolarHBondContact O-CG2 3.41Å; G731-I734 PolarHBondContact O-N 2.97Å; I734-E761 HydrophobicContact CD1-CB 4.21Å; I734-E761 HydrophobicContact CG2-CB 3.5Å; I734-E761 HydrophobicContact CG2-CG 3.83Å; I734-L762 HydrophobicContact CD1-CD2 3.59Å; I734-L762 HydrophobicContact CD1-CG 3.92Å |
| 735 | M | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 133.3 | -179 | -63.5 | -67.2 | -62.4 | 0 | 0 | 109.3 | Q582 D584 V718 D720 I723 M728 H729 P733 | Q582-M735 HydrophobicContact CB-CE 4.35Å; Q582-M735 HydrophobicContact CG-CE 4.09Å; D584-M735 HydrophobicContact CB-CE 4.43Å; V718-M735 HydrophobicContact CB-CE 4.37Å; V718-M735 HydrophobicContact CB-SD 3.77Å; V718-M735 HydrophobicContact CG1-CE 4.15Å; V718-M735 HydrophobicContact CG1-SD 4.15Å; V718-M735 HydrophobicContact CG2-SD 4.4Å; D720-M735 HydrophobicContact CB-CE 3.9Å; I723-M735 HydrophobicContact CB-CB 4.27Å; I723-M735 HydrophobicContact CG2-CB 3.88Å; I723-M735 HydrophobicContact CG2-CE 4.04Å; M728-M735 CarbonylContact C-O 3.56Å; M728-M735 WeakPolarHBondContact CA-O 3.34Å; H729-M735 PolarHBondContact N-O 2.73Å; H729-M735 WeakPolarHBondContact NE2-CB 3.36Å; H729-M735 PolarHBondContact O-N 3.26Å; P733-M735 HydrophobicContact CG-SD 3.75Å |
| 736 | A | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 148.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F717 V718 A719 D720 M728 | F717-A736 HydrophobicContact CD1-CB 4.48Å; V718-A736 PolarHBondContact O-N 3.2Å; A719-A736 CarbonylContact C-O 3.57Å; A719-A736 VanDerWaalsContact CA-O 3.31Å; A719-A736 WeakPolarHBondContact CA-O 3.19Å; D720-A736 PolarHBondContact N-O 3.09Å; M728-A736 HydrophobicContact CE-CB 4.06Å; M728-A736 HydrophobicContact CG-CB 3.77Å; M728-A736 HydrophobicContact SD-CB 4.27Å |
| 737 | H | 95.8 | Very high | 95.4 | Very high | 43 Ų | 43 | 32.5 Ų | 32.5 | 20% | 0.199 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 145.3 | 171.6 | -169.5 | -95.2 | 0 | 0 | 0 | 110.7 | D720 V721 F727 G739 S740 | D720-H737 CarbonylContact O-C 3.49Å; D720-H737 WeakPolarHBondContact O-CA 3.45Å; V721-H737 PolarHBondContact O-NE2 3.49Å; F727-H737 HydrophobicContact CD2-CB 3.85Å; F727-H737 HydrophobicContact CE2-CB 3.74Å; F727-H737 HydrophobicContact CG-CB 4.43Å; F727-H737 HydrophobicContact CZ-CB 4.24Å; F727-H737 WeakPolarHBondContact O-CB 3.49Å; F727-H737 PolarHBondContact O-N 3.23Å; H737-G739 PolarHBondContact ND1-N 2.84Å; H737-G739 PolarHBondContact O-N 2.81Å; H737-S740 WeakPolarHBondContact O-CB 3.47Å; H737-S740 PolarHBondContact O-N 3.07Å; H737-S740 PolarHBondContact O-OG 3.01Å |
| 738 | R | 94.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 32.4 Ų | 32.4 | 34% | 0.343 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -50 | -33.9 | -177.3 | 179.8 | 173.7 | -177.4 | -127.5 | -3.8 | 113.4 | E489 P677 D679 D720 S740 A741 | E489-R738 IonicContact OE2-NH1 3.56Å; E489-R738 PolarHBondContact OE2-NH1 3.08Å; P677-R738 HydrophobicContact CG-CG 4.22Å; D679-R738 IonicContact OD1-NH2 3.46Å; D679-R738 IonicContact OD2-NH2 2.69Å; D679-R738 PolarHBondContact OD2-NH2 2.83Å; D720-R738 PolarHBondContact O-N 3.11Å; R738-S740 PolarHBondContact O-N 2.94Å; R738-S740 VanDerWaalsContact O-N 3.07Å; R738-A741 VanDerWaalsContact O-CB 3.23Å; R738-A741 WeakPolarHBondContact O-CB 3.49Å; R738-A741 PolarHBondContact O-N 3.13Å |
| 739 | G | 93.3 | Very high | 95.3 | Very high | 60 Ų | 60 | 34.9 Ų | 34.9 | 62% | 0.619 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -57.4 | -19.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | H737 | H737-G739 PolarHBondContact ND1-N 2.84Å; H737-G739 PolarHBondContact O-N 2.81Å |
| 740 | S | 94.6 | Very high | 95.1 | Very high | 16 Ų | 16 | 33.3 Ų | 33.3 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -85.3 | -13.9 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 114 | F727 M728 H737 R738 T742 G743 L744 | F727-S740 WeakPolarHBondContact CE1-OG 3.42Å; M728-S740 WeakPolarHBondContact CE-OG 3.22Å; H737-S740 WeakPolarHBondContact O-CB 3.47Å; H737-S740 PolarHBondContact O-N 3.07Å; H737-S740 PolarHBondContact O-OG 3.01Å; R738-S740 PolarHBondContact O-N 2.94Å; R738-S740 VanDerWaalsContact O-N 3.07Å; S740-T742 PolarHBondContact O-N 3.21Å; S740-G743 PolarHBondContact O-N 3Å; S740-G743 VanDerWaalsContact O-N 3.09Å; S740-L744 WeakPolarHBondContact O-CG 3.34Å; S740-L744 PolarHBondContact O-N 3.42Å; S740-L744 VanDerWaalsContact O-N 3.16Å |
| 741 | A | 95.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.7 | -46.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V676 V680 A719 R738 G743 L744 | V676-A741 HydrophobicContact CB-CB 4.26Å; V676-A741 HydrophobicContact CG1-CB 4.12Å; V680-A741 HydrophobicContact CG1-CB 4.46Å; V680-A741 HydrophobicContact CG2-CB 3.88Å; A719-A741 HydrophobicContact CB-CB 3.7Å; R738-A741 VanDerWaalsContact O-CB 3.23Å; R738-A741 WeakPolarHBondContact O-CB 3.49Å; R738-A741 PolarHBondContact O-N 3.13Å; A741-G743 PolarHBondContact O-N 3.24Å; A741-L744 PolarHBondContact O-N 2.59Å |
| 742 | T | 94.3 | Very high | 94.7 | Very high | 84 Ų | 84 | 40.4 Ų | 40.4 | 52% | 0.515 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 178.4 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | S740 L744 V745 D746 | S740-T742 PolarHBondContact O-N 3.21Å; T742-L744 PolarHBondContact O-N 2.73Å; T742-V745 WeakPolarHBondContact O-CG2 3.44Å; T742-V745 PolarHBondContact O-N 3.29Å; T742-D746 VanDerWaalsContact O-CB 3.3Å; T742-D746 WeakPolarHBondContact O-CB 3.28Å; T742-D746 PolarHBondContact O-N 3.46Å |
| 743 | G | 93.1 | Very high | 94.4 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 18% | 0.175 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.9 | -23.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S740 A741 V750 | S740-G743 PolarHBondContact O-N 3Å; S740-G743 VanDerWaalsContact O-N 3.09Å; A741-G743 PolarHBondContact O-N 3.24Å; G743-V750 VanDerWaalsContact O-CG2 3.24Å; G743-V750 WeakPolarHBondContact O-CG2 3.43Å |
| 744 | L | 95.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -77.3 | -23.6 | 176.2 | -66 | 173.5 | 0 | 0 | 0 | 113.2 | L674 W694 F717 S740 A741 T742 A758 | L674-L744 HydrophobicContact CD1-CB 4.46Å; W694-L744 HydrophobicContact CH2-CD2 3.93Å; W694-L744 HydrophobicContact CZ2-CB 4.35Å; W694-L744 HydrophobicContact CZ2-CD2 3.79Å; W694-L744 PolarHBondContact NE1-O 3.18Å; F717-L744 HydrophobicContact CB-CD1 4.49Å; F717-L744 HydrophobicContact CD1-CD1 4.31Å; F717-L744 HydrophobicContact CG-CD1 4.5Å; S740-L744 WeakPolarHBondContact O-CG 3.34Å; S740-L744 PolarHBondContact O-N 3.42Å; S740-L744 VanDerWaalsContact O-N 3.16Å; A741-L744 PolarHBondContact O-N 2.59Å; T742-L744 PolarHBondContact O-N 2.73Å; L744-A758 HydrophobicContact CD2-CB 3.82Å |
| 745 | V | 96.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -110.1 | -10.2 | -176.2 | -55.6 | 0 | 0 | 0 | 0 | 114.1 | L667 V676 V680 L690 T742 V747 | L667-V745 HydrophobicContact CD1-CG1 3.8Å; V676-V745 HydrophobicContact CG2-CG1 4.43Å; V680-V745 HydrophobicContact CG1-CB 4.48Å; V680-V745 HydrophobicContact CG1-CG1 4.32Å; V680-V745 HydrophobicContact CG1-CG2 3.37Å; L690-V745 HydrophobicContact CD2-CB 3.91Å; L690-V745 HydrophobicContact CD2-CG1 4.17Å; T742-V745 WeakPolarHBondContact O-CG2 3.44Å; T742-V745 PolarHBondContact O-N 3.29Å; V745-V747 PolarHBondContact O-N 2.91Å |
| 746 | D | 95.5 | Very high | 94.1 | Very high | 62 Ų | 62 | 48.1 Ų | 48.1 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | trans | -89.3 | 100.4 | -178.9 | -175.5 | -21.5 | 0 | 0 | 0 | 111 | T742 D748 H749 V750 | T742-D746 VanDerWaalsContact O-CB 3.3Å; T742-D746 WeakPolarHBondContact O-CB 3.28Å; T742-D746 PolarHBondContact O-N 3.46Å; D746-D748 VanDerWaalsContact C-N 3.31Å; D746-D748 PolarHBondContact O-N 3.38Å; D746-D748 PolarHBondContact OD1-N 3.29Å; D746-D748 VanDerWaalsContact OD1-N 3.07Å; D746-H749 HydrophobicContact CB-CB 3.75Å; D746-H749 PolarHBondContact O-N 3.34Å; D746-H749 PolarHBondContact OD1-N 3.36Å; D746-V750 VanDerWaalsContact O-CG2 3.26Å; D746-V750 WeakPolarHBondContact O-CG2 3.27Å; D746-V750 PolarHBondContact O-N 2.98Å | ||
| 747 | V | 94.9 | Very high | 94.1 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -40.4 | -178.6 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | K689 L690 L693 V745 K751 | K689-V747 HydrophobicContact CB-CG2 4.42Å; L690-V747 HydrophobicContact CB-CG2 3.99Å; L690-V747 HydrophobicContact CD1-CG2 3.87Å; L693-V747 HydrophobicContact CD2-CB 4.3Å; L693-V747 HydrophobicContact CD2-CG1 4.16Å; L693-V747 HydrophobicContact CD2-CG2 4.21Å; V745-V747 PolarHBondContact O-N 2.91Å; V747-K751 HydrophobicContact CG1-CD 4.14Å; V747-K751 WeakPolarHBondContact O-CB 3.46Å; V747-K751 WeakPolarHBondContact O-CG 3.43Å; V747-K751 PolarHBondContact O-N 2.9Å; V747-K751 VanDerWaalsContact O-N 3.07Å |
| 748 | D | 93.3 | Very high | 94.1 | Very high | 120 Ų | 120 | 47.6 Ų | 47.6 | 64% | 0.642 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -74 | -39.9 | -176.2 | -71.6 | -23.6 | 0 | 0 | 0 | 110.6 | D746 K751 T752 | D746-D748 VanDerWaalsContact C-N 3.31Å; D746-D748 PolarHBondContact O-N 3.38Å; D746-D748 PolarHBondContact OD1-N 3.29Å; D746-D748 VanDerWaalsContact OD1-N 3.07Å; D748-K751 PolarHBondContact O-N 3.08Å; D748-T752 WeakPolarHBondContact O-CB 3.44Å; D748-T752 VanDerWaalsContact O-CG2 3.29Å; D748-T752 WeakPolarHBondContact O-CG2 3.48Å; D748-T752 PolarHBondContact O-N 3.43Å; D748-T752 PolarHBondContact O-OG1 3.32Å |
| 749 | H | 92.3 | Very high | 94.3 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 37% | 0.366 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.1 | -50.8 | 172.3 | -177.3 | 85.2 | 0 | 0 | 0 | 111.4 | D746 K751 T752 K753 | D746-H749 HydrophobicContact CB-CB 3.75Å; D746-H749 PolarHBondContact O-N 3.34Å; D746-H749 PolarHBondContact OD1-N 3.36Å; H749-K751 VanDerWaalsContact C-N 3.34Å; H749-K751 PolarHBondContact O-N 2.96Å; H749-T752 PolarHBondContact O-N 3.24Å; H749-T752 PolarHBondContact O-OG1 3.43Å; H749-K753 WeakPolarHBondContact O-CB 3.28Å; H749-K753 PolarHBondContact O-N 3.19Å |
| 750 | V | 93.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | -179.5 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | L693 I697 G743 D746 T752 G754 I755 F794 | L693-V750 HydrophobicContact CD1-CG1 4.11Å; L693-V750 HydrophobicContact CD2-CB 3.77Å; L693-V750 HydrophobicContact CD2-CG1 3.74Å; L693-V750 HydrophobicContact CD2-CG2 4.19Å; L693-V750 HydrophobicContact CG-CG1 4.33Å; I697-V750 HydrophobicContact CD1-CG1 4.36Å; G743-V750 VanDerWaalsContact O-CG2 3.24Å; G743-V750 WeakPolarHBondContact O-CG2 3.43Å; D746-V750 VanDerWaalsContact O-CG2 3.26Å; D746-V750 WeakPolarHBondContact O-CG2 3.27Å; D746-V750 PolarHBondContact O-N 2.98Å; V750-T752 PolarHBondContact O-N 3.09Å; V750-G754 WeakPolarHBondContact O-CA 3.41Å; V750-G754 PolarHBondContact O-N 3.07Å; V750-I755 HydrophobicContact CG1-CD1 4Å; V750-I755 HydrophobicContact CG1-CG1 4.03Å; V750-I755 HydrophobicContact CG2-CD1 4.11Å; V750-I755 HydrophobicContact CG2-CG1 4.44Å; V750-I755 HydrophobicContact CG2-CG2 3.77Å; V750-F794 HydrophobicContact CG1-CD1 4.18Å; V750-F794 HydrophobicContact CG1-CE1 3.52Å; V750-F794 HydrophobicContact CG1-CE2 4.12Å; V750-F794 HydrophobicContact CG1-CZ 3.48Å; V750-F794 VanDerWaalsContact CG1-CZ 3.48Å |
| 751 | K | 91.1 | Very high | 94.7 | Very high | 115 Ų | 115 | 41.4 Ų | 41.4 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.5 | -29.4 | -178.5 | -74.4 | -178.3 | 176.2 | -177.8 | 0 | 113.9 | L693 V747 D748 H749 | L693-K751 HydrophobicContact CD1-CG 4.33Å; V747-K751 HydrophobicContact CG1-CD 4.14Å; V747-K751 WeakPolarHBondContact O-CB 3.46Å; V747-K751 WeakPolarHBondContact O-CG 3.43Å; V747-K751 PolarHBondContact O-N 2.9Å; V747-K751 VanDerWaalsContact O-N 3.07Å; D748-K751 PolarHBondContact O-N 3.08Å; H749-K751 VanDerWaalsContact C-N 3.34Å; H749-K751 PolarHBondContact O-N 2.96Å |
| 752 | T | 89.6 | Confident | 94.8 | Very high | 93 Ų | 93 | 41.3 Ų | 41.3 | 57% | 0.571 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -98.7 | -32.3 | -174.5 | 59.3 | 0 | 0 | 0 | 0 | 114 | D748 H749 V750 | D748-T752 WeakPolarHBondContact O-CB 3.44Å; D748-T752 VanDerWaalsContact O-CG2 3.29Å; D748-T752 WeakPolarHBondContact O-CG2 3.48Å; D748-T752 PolarHBondContact O-N 3.43Å; D748-T752 PolarHBondContact O-OG1 3.32Å; H749-T752 PolarHBondContact O-N 3.24Å; H749-T752 PolarHBondContact O-OG1 3.43Å; V750-T752 PolarHBondContact O-N 3.09Å |
| 753 | K | 89.8 | Confident | 95 | Very high | 143 Ų | 143 | 37.3 Ų | 37.3 | 62% | 0.622 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -112.7 | -21.1 | -176.5 | -58.3 | -57.4 | -178.1 | -176.3 | 0 | 113.3 | H749 | H749-K753 WeakPolarHBondContact O-CB 3.28Å; H749-K753 PolarHBondContact O-N 3.19Å |
| 754 | G | 94.1 | Very high | 95.2 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | trans | 74.9 | 173.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V750 H790 | V750-G754 WeakPolarHBondContact O-CA 3.41Å; V750-G754 PolarHBondContact O-N 3.07Å; G754-H790 WeakPolarHBondContact CA-NE2 3.48Å | ||
| 755 | I | 95.9 | Very high | 95.2 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | trans | -138.1 | 56.6 | -177.8 | 48.3 | 169.4 | 0 | 0 | 0 | 110.5 | W694 I697 V750 G757 A758 I759 H790 F794 | W694-I755 HydrophobicContact CH2-CD1 3.9Å; W694-I755 HydrophobicContact CZ2-CD1 4.02Å; I697-I755 HydrophobicContact CD1-CD1 4.24Å; V750-I755 HydrophobicContact CG1-CD1 4Å; V750-I755 HydrophobicContact CG1-CG1 4.03Å; V750-I755 HydrophobicContact CG2-CD1 4.11Å; V750-I755 HydrophobicContact CG2-CG1 4.44Å; V750-I755 HydrophobicContact CG2-CG2 3.77Å; I755-G757 VanDerWaalsContact C-N 3.28Å; I755-G757 PolarHBondContact O-N 3.1Å; I755-G757 VanDerWaalsContact O-N 3.13Å; I755-A758 HydrophobicContact CB-CB 4.3Å; I755-A758 HydrophobicContact CD1-CB 4.2Å; I755-A758 PolarHBondContact O-N 2.99Å; I755-A758 VanDerWaalsContact O-N 3.09Å; I755-I759 HydrophobicContact CD1-CD1 4.1Å; I755-I759 HydrophobicContact CG1-CD1 4.18Å; I755-I759 HydrophobicContact CG1-CG1 4.1Å; I755-I759 PolarHBondContact O-N 3.17Å; I755-H790 PolarHBondContact N-NE2 2.85Å; I755-H790 VanDerWaalsContact N-NE2 3.2Å; I755-F794 HydrophobicContact CD1-CZ 4.41Å; I755-F794 HydrophobicContact CG1-CE2 4.04Å; I755-F794 HydrophobicContact CG1-CZ 4.03Å | ||
| 756 | W | 96.8 | Very high | 95.2 | Very high | 27 Ų | 27 | 39.6 Ų | 39.6 | 10% | 0.102 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -45.3 | -48.1 | -174.4 | -172.6 | -77.9 | 0 | 0 | 0 | 113.9 | I759 H760 N783 S786 V787 H790 A801 H802 M805 W830 | W756-I759 PolarHBondContact O-N 2.86Å; W756-H760 WeakPolarHBondContact O-CB 3.48Å; W756-H760 PolarHBondContact O-N 3.39Å; W756-N783 HydrophobicContact CZ2-CB 4Å; W756-N783 WeakPolarHBondContact CZ2-OD1 3.35Å; W756-N783 PolarHBondContact NE1-OD1 3.28Å; W756-S786 PolarHBondContact O-OG 3.27Å; W756-V787 HydrophobicContact CH2-CG2 3.53Å; W756-V787 HydrophobicContact CZ3-CG2 4.01Å; W756-H790 PolarHBondContact N-CE1 3.41Å; W756-H790 PolarHBondContact N-NE2 3.47Å; W756-A801 HydrophobicContact CE3-CB 4.05Å; W756-A801 HydrophobicContact CZ3-CB 4.01Å; W756-H802 HydrophobicContact CD2-CB 3.86Å; W756-H802 HydrophobicContact CE3-CB 3.63Å; W756-H802 AromaticContact CG-CD2 3.96Å; W756-H802 HydrophobicContact CH2-CB 4.08Å; W756-H802 HydrophobicContact CZ2-CB 4.31Å; W756-H802 HydrophobicContact CZ3-CB 3.75Å; W756-M805 HydrophobicContact CH2-CG 3.72Å; W756-M805 HydrophobicContact CH2-SD 4.34Å; W756-M805 HydrophobicContact CZ3-CG 4.22Å; W756-W830 AromaticContact CZ2-CH2 3.75Å; W756-W830 HydrophobicContact CZ2-CH2 3.75Å; W756-W830 AromaticContact CZ2-CZ3 3.89Å; W756-W830 HydrophobicContact CZ2-CZ3 3.89Å |
| 757 | G | 95.6 | Very high | 95.2 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.6 | -47.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | M728 I755 I759 H760 E761 | M728-G757 VanDerWaalsContact SD-C 3.55Å; I755-G757 VanDerWaalsContact C-N 3.28Å; I755-G757 PolarHBondContact O-N 3.1Å; I755-G757 VanDerWaalsContact O-N 3.13Å; G757-I759 VanDerWaalsContact C-N 3.32Å; G757-I759 PolarHBondContact O-N 2.84Å; G757-H760 WeakPolarHBondContact O-CB 3.38Å; G757-H760 PolarHBondContact O-N 3.24Å; G757-E761 WeakPolarHBondContact O-CG 3.42Å; G757-E761 PolarHBondContact O-N 2.83Å; G757-E761 VanDerWaalsContact O-N 3.1Å |
| 758 | A | 97.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | F717 L744 I755 L762 | F717-A758 HydrophobicContact CE1-CB 4.23Å; F717-A758 HydrophobicContact CZ-CB 3.92Å; L744-A758 HydrophobicContact CD2-CB 3.82Å; I755-A758 HydrophobicContact CB-CB 4.3Å; I755-A758 HydrophobicContact CD1-CB 4.2Å; I755-A758 PolarHBondContact O-N 2.99Å; I755-A758 VanDerWaalsContact O-N 3.09Å; A758-L762 PolarHBondContact O-N 3.18Å |
| 759 | I | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.6 | -35.2 | 176.6 | -53.5 | -50.4 | 0 | 0 | 0 | 111.5 | I697 I701 I755 W756 G757 L762 G763 W785 S786 V789 | I697-I759 HydrophobicContact CG2-CD1 3.57Å; I701-I759 HydrophobicContact CD1-CG2 3.98Å; I755-I759 HydrophobicContact CD1-CD1 4.1Å; I755-I759 HydrophobicContact CG1-CD1 4.18Å; I755-I759 HydrophobicContact CG1-CG1 4.1Å; I755-I759 PolarHBondContact O-N 3.17Å; W756-I759 PolarHBondContact O-N 2.86Å; G757-I759 VanDerWaalsContact C-N 3.32Å; G757-I759 PolarHBondContact O-N 2.84Å; I759-L762 HydrophobicContact CD1-CD1 4.34Å; I759-L762 PolarHBondContact O-N 3.14Å; I759-G763 PolarHBondContact O-N 3.43Å; I759-W785 VanDerWaalsContact CG2-C 3.49Å; I759-W785 HydrophobicContact CG2-CB 4.2Å; I759-W785 WeakPolarHBondContact CG2-O 3.38Å; I759-S786 VanDerWaalsContact CG2-CA 3.49Å; I759-V789 HydrophobicContact CD1-CG1 4Å; I759-V789 HydrophobicContact CG1-CB 4.4Å; I759-V789 HydrophobicContact CG1-CG1 4.14Å; I759-V789 HydrophobicContact CG2-CB 3.92Å; I759-V789 HydrophobicContact CG2-CG1 4.49Å; I759-V789 HydrophobicContact CG2-CG2 3.76Å |
| 760 | H | 97.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 34 Ų | 34 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 176.4 | 172.8 | 102.3 | 0 | 0 | 0 | 111.1 | W756 G757 L762 G763 H764 E779 C782 N783 S786 | W756-H760 WeakPolarHBondContact O-CB 3.48Å; W756-H760 PolarHBondContact O-N 3.39Å; G757-H760 WeakPolarHBondContact O-CB 3.38Å; G757-H760 PolarHBondContact O-N 3.24Å; H760-L762 PolarHBondContact O-N 3.04Å; H760-G763 CarbonylContact O-C 3.46Å; H760-G763 WeakPolarHBondContact O-CA 3.21Å; H760-G763 PolarHBondContact O-N 2.96Å; H760-H764 AromaticContact CD2-CD2 3.66Å; H760-H764 AromaticContact CD2-NE2 3.57Å; H760-H764 AromaticContact CE1-NE2 3.8Å; H760-H764 AromaticContact NE2-CD2 3.65Å; H760-H764 AromaticContact NE2-NE2 3.04Å; H760-H764 PolarHBondContact NE2-NE2 3.05Å; H760-H764 PolarHBondContact O-N 3.4Å; H760-E779 IonicContact CE1-OE2 3.51Å; H760-E779 PolarHBondContact CE1-OE2 3.27Å; H760-E779 IonicContact NE2-OE2 2.73Å; H760-E779 PolarHBondContact NE2-OE2 3.25Å; H760-E779 VanDerWaalsContact NE2-OE2 3.14Å; H760-C782 PolarHBondContact CE1-SG 3.34Å; H760-N783 PolarHBondContact ND1-OD1 3.04Å; H760-S786 VanDerWaalsContact CA-OG 3.28Å; H760-S786 WeakPolarHBondContact CA-OG 3.44Å; H760-S786 WeakPolarHBondContact CB-OG 3.31Å; H760-S786 PolarHBondContact N-OG 2.68Å |
| 761 | E | 98.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 7% | 0.065 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -38.4 | 175.6 | -56.5 | -46.4 | 148.4 | 0 | 0 | 113.2 | M728 H729 A730 I734 G757 G763 H764 N765 | M728-E761 HydrophobicContact CB-CG 3.64Å; M728-E761 WeakPolarHBondContact CB-OE1 3.22Å; M728-E761 HydrophobicContact SD-CG 4.37Å; H729-E761 VanDerWaalsContact CA-OE2 3.29Å; H729-E761 WeakPolarHBondContact CA-OE2 3.49Å; A730-E761 PolarHBondContact N-OE2 3.28Å; I734-E761 HydrophobicContact CD1-CB 4.21Å; I734-E761 HydrophobicContact CG2-CB 3.5Å; I734-E761 HydrophobicContact CG2-CG 3.83Å; G757-E761 WeakPolarHBondContact O-CG 3.42Å; G757-E761 PolarHBondContact O-N 2.83Å; G757-E761 VanDerWaalsContact O-N 3.1Å; E761-G763 PolarHBondContact O-N 3.45Å; E761-H764 WeakPolarHBondContact O-CB 3.18Å; E761-H764 PolarHBondContact O-N 2.96Å; E761-H764 IonicContact OE2-CD2 3Å; E761-H764 PolarHBondContact OE2-CD2 3.43Å; E761-N765 PolarHBondContact O-N 2.86Å |
| 762 | L | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.5 | -34.4 | 172.2 | -74.7 | 167.6 | 0 | 0 | 0 | 111.6 | I672 W694 M698 I701 E715 F717 I734 A758 I759 H760 N765 Q766 | I672-L762 HydrophobicContact CD1-CD1 4.4Å; I672-L762 HydrophobicContact CD1-CD2 4.19Å; W694-L762 HydrophobicContact CZ3-CD1 4.14Å; M698-L762 HydrophobicContact CE-CD2 4.26Å; M698-L762 HydrophobicContact SD-CD1 3.92Å; M698-L762 HydrophobicContact SD-CD2 3.98Å; I701-L762 HydrophobicContact CD1-CB 4.02Å; I701-L762 HydrophobicContact CG1-CB 4.43Å; I701-L762 HydrophobicContact CG1-CD1 4.42Å; E715-L762 HydrophobicContact CB-CD2 4.18Å; E715-L762 HydrophobicContact CG-CD2 4.05Å; F717-L762 HydrophobicContact CE2-CD1 4.13Å; F717-L762 HydrophobicContact CE2-CD2 4.21Å; F717-L762 HydrophobicContact CE2-CG 4.01Å; F717-L762 HydrophobicContact CZ-CG 4.28Å; I734-L762 HydrophobicContact CD1-CD2 3.59Å; I734-L762 HydrophobicContact CD1-CG 3.92Å; A758-L762 PolarHBondContact O-N 3.18Å; I759-L762 HydrophobicContact CD1-CD1 4.34Å; I759-L762 PolarHBondContact O-N 3.14Å; H760-L762 PolarHBondContact O-N 3.04Å; L762-N765 PolarHBondContact O-N 3.03Å; L762-Q766 WeakPolarHBondContact O-CG 3.28Å; L762-Q766 PolarHBondContact O-N 3.49Å |
| 763 | G | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I759 H760 E761 N765 Q766 Q767 | I759-G763 PolarHBondContact O-N 3.43Å; H760-G763 CarbonylContact O-C 3.46Å; H760-G763 WeakPolarHBondContact O-CA 3.21Å; H760-G763 PolarHBondContact O-N 2.96Å; E761-G763 PolarHBondContact O-N 3.45Å; G763-N765 VanDerWaalsContact C-N 3.31Å; G763-N765 PolarHBondContact O-N 3.43Å; G763-Q766 WeakPolarHBondContact O-CA 3.29Å; G763-Q766 PolarHBondContact O-N 3.31Å; G763-Q767 PolarHBondContact O-N 3.12Å |
| 764 | H | 97.6 | Very high | 95.9 | Very high | 28 Ų | 28 | 21.3 Ų | 21.3 | 13% | 0.13 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.6 | -43.1 | 171.7 | -79.5 | -62.8 | 0 | 0 | 0 | 112 | A730 H760 E761 Q766 Q767 T778 E779 C782 | A730-H764 HydrophobicContact CB-CB 3.43Å; A730-H764 VanDerWaalsContact CB-CB 3.43Å; H760-H764 AromaticContact CD2-CD2 3.66Å; H760-H764 AromaticContact CD2-NE2 3.57Å; H760-H764 AromaticContact CE1-NE2 3.8Å; H760-H764 AromaticContact NE2-CD2 3.65Å; H760-H764 AromaticContact NE2-NE2 3.04Å; H760-H764 PolarHBondContact NE2-NE2 3.05Å; H760-H764 PolarHBondContact O-N 3.4Å; E761-H764 WeakPolarHBondContact O-CB 3.18Å; E761-H764 PolarHBondContact O-N 2.96Å; E761-H764 IonicContact OE2-CD2 3Å; E761-H764 PolarHBondContact OE2-CD2 3.43Å; H764-Q766 PolarHBondContact O-N 2.9Å; H764-Q766 VanDerWaalsContact O-N 3.08Å; H764-Q767 PolarHBondContact ND1-OE1 3.18Å; H764-Q767 WeakPolarHBondContact O-CB 3.47Å; H764-Q767 PolarHBondContact O-N 3.34Å; H764-Q767 VanDerWaalsContact O-N 3.09Å; H764-T778 PolarHBondContact CE1-O 3.45Å; H764-T778 PolarHBondContact ND1-O 3.41Å; H764-E779 IonicContact CE1-OE1 3.18Å; H764-E779 IonicContact CE1-OE2 2.79Å; H764-E779 IonicContact NE2-OE1 3.58Å; H764-E779 IonicContact NE2-OE2 3.2Å; H764-E779 PolarHBondContact NE2-OE2 3.48Å; H764-C782 HydrophobicContact CB-CB 4.48Å; H764-C782 VanDerWaalsContact CE1-SG 3.53Å |
| 765 | N | 95.9 | Very high | 95.8 | Very high | 45 Ų | 45 | 25.9 Ų | 25.9 | 24% | 0.241 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.1 | 175.1 | -75.8 | 6.4 | 0 | 0 | 0 | 113.4 | E715 G731 E761 L762 G763 | E715-N765 PolarHBondContact OE2-ND2 2.96Å; G731-N765 PolarHBondContact N-OD1 3.26Å; G731-N765 PolarHBondContact O-ND2 3.06Å; G731-N765 VanDerWaalsContact O-ND2 3.11Å; E761-N765 PolarHBondContact O-N 2.86Å; L762-N765 PolarHBondContact O-N 3.03Å; G763-N765 VanDerWaalsContact C-N 3.31Å; G763-N765 PolarHBondContact O-N 3.43Å |
| 766 | Q | 95.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -10.8 | 174.6 | -55.1 | -39 | -55.6 | 0 | 0 | 114.9 | I701 A705 L762 G763 H764 W785 | I701-Q766 HydrophobicContact CG2-CG 3.61Å; A705-Q766 HydrophobicContact CB-CB 4.34Å; A705-Q766 HydrophobicContact CB-CG 4.23Å; L762-Q766 WeakPolarHBondContact O-CG 3.28Å; L762-Q766 PolarHBondContact O-N 3.49Å; G763-Q766 WeakPolarHBondContact O-CA 3.29Å; G763-Q766 PolarHBondContact O-N 3.31Å; H764-Q766 PolarHBondContact O-N 2.9Å; H764-Q766 VanDerWaalsContact O-N 3.08Å; Q766-W785 HydrophobicContact CB-CD2 4.16Å; Q766-W785 HydrophobicContact CB-CH2 3.74Å; Q766-W785 HydrophobicContact CB-CZ2 3.31Å; Q766-W785 HydrophobicContact CB-CZ3 4.32Å; Q766-W785 HydrophobicContact CG-CD2 4.43Å; Q766-W785 HydrophobicContact CG-CZ2 4.03Å |
| 767 | Q | 95.8 | Very high | 95.7 | Very high | 42 Ų | 42 | 25.1 Ų | 25.1 | 20% | 0.196 | 15% | 0.152 | C | C | . | . | trans | -61.9 | 144.5 | 176.7 | -72.3 | 176.5 | -49.5 | 0 | 0 | 111.1 | G763 H764 E772 T777 T778 T781 | G763-Q767 PolarHBondContact O-N 3.12Å; H764-Q767 PolarHBondContact ND1-OE1 3.18Å; H764-Q767 WeakPolarHBondContact O-CB 3.47Å; H764-Q767 PolarHBondContact O-N 3.34Å; H764-Q767 VanDerWaalsContact O-N 3.09Å; Q767-E772 HydrophobicContact CB-CG 4.04Å; Q767-E772 HydrophobicContact CG-CG 4.48Å; Q767-E772 PolarHBondContact NE2-OE2 3.12Å; Q767-T777 PolarHBondContact NE2-O 3.01Å; Q767-T778 PolarHBondContact NE2-O 3.22Å; Q767-T778 PolarHBondContact OE1-O 2.87Å; Q767-T781 PolarHBondContact NE2-OG1 3.03Å | ||
| 768 | R | 94.3 | Very high | 95.6 | Very high | 71 Ų | 71 | 26.4 Ų | 26.4 | 27% | 0.268 | 15% | 0.154 | S | C | . | . | trans | -132.8 | 133.3 | 179.1 | -64.8 | -178.4 | 70.5 | -145.4 | -2 | 111.1 | C770 W771 E772 Y855 H856 | R768-C770 PolarHBondContact O-N 3.03Å; R768-W771 HydrophobicContact CB-CD2 4.08Å; R768-W771 HydrophobicContact CB-CE3 4.38Å; R768-W771 HydrophobicContact CB-CH2 4.13Å; R768-W771 HydrophobicContact CB-CZ2 3.74Å; R768-W771 HydrophobicContact CB-CZ3 4.41Å; R768-W771 HydrophobicContact CG-CH2 3.89Å; R768-W771 HydrophobicContact CG-CZ2 3.67Å; R768-W771 PolarHBondContact O-N 3.49Å; R768-E772 WeakPolarHBondContact O-CG 3.46Å; R768-E772 PolarHBondContact O-N 2.82Å; R768-Y855 PolarHBondContact NH1-O 3.45Å; R768-Y855 VanDerWaalsContact NH1-O 3.16Å; R768-H856 PolarHBondContact NH1-ND1 2.9Å | ||
| 769 | G | 93.3 | Very high | 95.5 | Very high | 47 Ų | 47 | 29.9 Ų | 29.9 | 49% | 0.485 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -18.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K868 | G769-K868 VanDerWaalsContact O-CE 3.25Å; G769-K868 WeakPolarHBondContact O-CE 3.29Å; G769-K868 PolarHBondContact O-NZ 3.33Å |
| 770 | C | 93.7 | Very high | 95.5 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -22.6 | 177.1 | 57.2 | 0 | 0 | 0 | 0 | 114.6 | R768 Y855 F861 | R768-C770 PolarHBondContact O-N 3.03Å; C770-Y855 HydrophobicContact CB-CD1 4.04Å; C770-Y855 HydrophobicContact CB-CE1 4.35Å; C770-Y855 WeakPolarHBondContact O-CE1 3.21Å; C770-F861 HydrophobicContact CB-CB 4.5Å; C770-F861 HydrophobicContact CB-CD1 3.64Å; C770-F861 HydrophobicContact CB-CD2 3.82Å; C770-F861 HydrophobicContact CB-CE1 3.69Å; C770-F861 HydrophobicContact CB-CE2 3.87Å; C770-F861 HydrophobicContact CB-CG 3.72Å; C770-F861 HydrophobicContact CB-CZ 3.81Å |
| 771 | W | 93.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 29 Ų | 29 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | 4.5 | 179.2 | 62.2 | 59.7 | 0 | 0 | 0 | 113.6 | R768 F773 F852 Y855 Y872 | R768-W771 HydrophobicContact CB-CD2 4.08Å; R768-W771 HydrophobicContact CB-CE3 4.38Å; R768-W771 HydrophobicContact CB-CH2 4.13Å; R768-W771 HydrophobicContact CB-CZ2 3.74Å; R768-W771 HydrophobicContact CB-CZ3 4.41Å; R768-W771 HydrophobicContact CG-CH2 3.89Å; R768-W771 HydrophobicContact CG-CZ2 3.67Å; R768-W771 PolarHBondContact O-N 3.49Å; W771-F773 WeakPolarHBondContact O-CZ 3.31Å; W771-F852 HydrophobicContact CD2-CD1 4.31Å; W771-F852 HydrophobicContact CD2-CE1 4.46Å; W771-F852 HydrophobicContact CE3-CD1 4.16Å; W771-F852 HydrophobicContact CH2-CB 3.98Å; W771-F852 HydrophobicContact CH2-CD1 4.08Å; W771-F852 AromaticContact CH2-CG 3.97Å; W771-F852 HydrophobicContact CH2-CG 3.97Å; W771-F852 HydrophobicContact CZ2-CD1 4.27Å; W771-F852 HydrophobicContact CZ2-CG 4.35Å; W771-F852 HydrophobicContact CZ3-CB 4.08Å; W771-F852 HydrophobicContact CZ3-CD1 4.05Å; W771-F852 HydrophobicContact CZ3-CG 4.23Å; W771-Y855 HydrophobicContact CB-CE1 4.26Å; W771-Y855 HydrophobicContact CB-CE2 4.23Å; W771-Y855 VanDerWaalsContact CE3-CB 3.42Å; W771-Y855 HydrophobicContact CE3-CD1 4.09Å; W771-Y855 AromaticContact CE3-CD2 3.77Å; W771-Y855 HydrophobicContact CE3-CD2 3.77Å; W771-Y855 AromaticContact CE3-CG 3.52Å; W771-Y855 HydrophobicContact CE3-CG 3.52Å; W771-Y855 VanDerWaalsContact CZ3-CB 3.43Å; W771-Y855 HydrophobicContact CZ3-CD2 4.41Å; W771-Y855 HydrophobicContact CZ3-CG 4.07Å; W771-Y872 HydrophobicContact CB-CD2 4.13Å; W771-Y872 HydrophobicContact CB-CE2 4.37Å |
| 772 | E | 95.8 | Very high | 95.4 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | trans | -93.1 | 143.7 | 174.1 | -66.4 | -57 | 136.9 | 0 | 0 | 111.5 | Q767 R768 T777 T781 K868 | Q767-E772 HydrophobicContact CB-CG 4.04Å; Q767-E772 HydrophobicContact CG-CG 4.48Å; Q767-E772 PolarHBondContact NE2-OE2 3.12Å; R768-E772 WeakPolarHBondContact O-CG 3.46Å; R768-E772 PolarHBondContact O-N 2.82Å; E772-T777 WeakPolarHBondContact OE2-CB 3.45Å; E772-T777 PolarHBondContact OE2-OG1 3.46Å; E772-T781 WeakPolarHBondContact OE1-CB 3.21Å; E772-T781 PolarHBondContact OE1-OG1 3.45Å; E772-T781 PolarHBondContact OE2-OG1 2.85Å; E772-K868 WeakPolarHBondContact O-CD 3.2Å | ||
| 773 | F | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -124.4 | 68.3 | 179.6 | -33.3 | -55.6 | 0 | 0 | 0 | 111.7 | W771 H776 T777 W827 N865 K868 M869 Y872 W893 | W771-F773 WeakPolarHBondContact O-CZ 3.31Å; F773-H776 WeakPolarHBondContact O-CB 3.35Å; F773-H776 PolarHBondContact O-CD2 3.47Å; F773-H776 PolarHBondContact O-N 3.27Å; F773-T777 HydrophobicContact CB-CG2 4.08Å; F773-T777 HydrophobicContact CD2-CG2 3.51Å; F773-T777 HydrophobicContact CE2-CG2 4.27Å; F773-T777 HydrophobicContact CG-CG2 4.14Å; F773-T777 PolarHBondContact N-OG1 3.31Å; F773-T777 PolarHBondContact O-N 2.92Å; F773-W827 HydrophobicContact CD2-CH2 4.03Å; F773-W827 HydrophobicContact CD2-CZ3 4.09Å; F773-W827 HydrophobicContact CE2-CH2 4.46Å; F773-N865 WeakPolarHBondContact CA-OD1 3.31Å; F773-N865 HydrophobicContact CB-CB 4.28Å; F773-K868 HydrophobicContact CD1-CB 3.72Å; F773-K868 HydrophobicContact CD1-CD 4.33Å; F773-K868 HydrophobicContact CE1-CB 3.51Å; F773-M869 HydrophobicContact CB-CE 3.83Å; F773-M869 HydrophobicContact CD1-CG 3.97Å; F773-M869 HydrophobicContact CD2-CE 3.83Å; F773-M869 HydrophobicContact CD2-CG 3.95Å; F773-M869 HydrophobicContact CE1-CG 4.07Å; F773-M869 HydrophobicContact CE2-CG 4.05Å; F773-M869 HydrophobicContact CG-CE 3.89Å; F773-M869 HydrophobicContact CG-CG 3.93Å; F773-M869 HydrophobicContact CZ-CG 4.11Å; F773-Y872 HydrophobicContact CZ-CD2 4.3Å; F773-Y872 HydrophobicContact CZ-CG 4.1Å; F773-W893 HydrophobicContact CD2-CH2 4.4Å; F773-W893 HydrophobicContact CD2-CZ2 4.39Å; F773-W893 AromaticContact CE2-CH2 3.47Å; F773-W893 HydrophobicContact CE2-CH2 3.47Å; F773-W893 VanDerWaalsContact CE2-CH2 3.47Å; F773-W893 AromaticContact CE2-CZ2 3.84Å; F773-W893 HydrophobicContact CE2-CZ2 3.84Å; F773-W893 HydrophobicContact CE2-CZ3 4.17Å; F773-W893 AromaticContact CZ-CH2 4Å; F773-W893 HydrophobicContact CZ-CH2 4Å; F773-W893 HydrophobicContact CZ-CZ3 4.35Å | ||
| 774 | P | 93.7 | Very high | 95.5 | Very high | 68 Ų | 68 | 28.5 Ų | 28.5 | 44% | 0.442 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 143.9 | -179.2 | -23.3 | 34.5 | 0 | 0 | 0 | 112.9 | N865 | P774-N865 PolarHBondContact O-ND2 2.84Š|
| 775 | P | 92.6 | Very high | 95.5 | Very high | 105 Ų | 105 | 27.2 Ų | 27.2 | 68% | 0.682 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -84.9 | -3.1 | 3.2 | 34.9 | -36.2 | 0 | 0 | 0 | 114.1 | T777 | P775-T777 PolarHBondContact O-N 3.21Š|
| 776 | H | 94.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 25 Ų | 25 | 13% | 0.13 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -43.6 | -169.5 | -56.9 | -75.6 | 0 | 0 | 0 | 113.7 | F773 L824 W827 M829 | F773-H776 WeakPolarHBondContact O-CB 3.35Å; F773-H776 PolarHBondContact O-CD2 3.47Å; F773-H776 PolarHBondContact O-N 3.27Å; H776-L824 PolarHBondContact CE1-O 3.27Å; H776-L824 PolarHBondContact ND1-O 2.9Å; H776-W827 HydrophobicContact CB-CE3 3.44Å; H776-W827 VanDerWaalsContact CB-CE3 3.44Å; H776-W827 HydrophobicContact CB-CZ3 3.44Å; H776-W827 VanDerWaalsContact CB-CZ3 3.44Å; H776-W827 WeakPolarHBondContact CB-O 3.35Å; H776-W827 AromaticContact CG-CE3 3.8Å; H776-W827 PolarHBondContact ND1-O 3.34Å; H776-M829 PolarHBondContact O-N 3.12Å |
| 777 | T | 95.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -97.1 | -8.4 | -171.3 | 62.2 | 0 | 0 | 0 | 0 | 115 | Q767 E772 F773 P775 E779 C780 T781 W827 | Q767-T777 PolarHBondContact NE2-O 3.01Å; E772-T777 WeakPolarHBondContact OE2-CB 3.45Å; E772-T777 PolarHBondContact OE2-OG1 3.46Å; F773-T777 HydrophobicContact CB-CG2 4.08Å; F773-T777 HydrophobicContact CD2-CG2 3.51Å; F773-T777 HydrophobicContact CE2-CG2 4.27Å; F773-T777 HydrophobicContact CG-CG2 4.14Å; F773-T777 PolarHBondContact N-OG1 3.31Å; F773-T777 PolarHBondContact O-N 2.92Å; P775-T777 PolarHBondContact O-N 3.21Å; T777-E779 VanDerWaalsContact C-N 3.26Å; T777-E779 PolarHBondContact O-N 3.43Å; T777-E779 VanDerWaalsContact O-N 3.16Å; T777-C780 WeakPolarHBondContact O-CB 3.47Å; T777-C780 PolarHBondContact O-N 3.24Å; T777-T781 HydrophobicContact CG2-CG2 4.27Å; T777-T781 PolarHBondContact O-N 3.46Å; T777-T781 PolarHBondContact O-OG1 2.87Å; T777-W827 HydrophobicContact CG2-CH2 3.64Å; T777-W827 HydrophobicContact CG2-CZ3 3.75Å |
| 778 | T | 93.5 | Very high | 95.9 | Very high | 57 Ų | 57 | 23.2 Ų | 23.2 | 35% | 0.35 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -50.7 | -174.9 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | H764 Q767 | H764-T778 PolarHBondContact CE1-O 3.45Å; H764-T778 PolarHBondContact ND1-O 3.41Å; Q767-T778 PolarHBondContact NE2-O 3.22Å; Q767-T778 PolarHBondContact OE1-O 2.87Å |
| 779 | E | 95.6 | Very high | 96.1 | Very high | 75 Ų | 75 | 19.8 Ų | 19.8 | 35% | 0.35 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 18.6 | -179.7 | -65.2 | -62.8 | 151.8 | 0 | 0 | 113 | H760 H764 T777 N783 M829 | H760-E779 IonicContact CE1-OE2 3.51Å; H760-E779 PolarHBondContact CE1-OE2 3.27Å; H760-E779 IonicContact NE2-OE2 2.73Å; H760-E779 PolarHBondContact NE2-OE2 3.25Å; H760-E779 VanDerWaalsContact NE2-OE2 3.14Å; H764-E779 IonicContact CE1-OE1 3.18Å; H764-E779 IonicContact CE1-OE2 2.79Å; H764-E779 IonicContact NE2-OE1 3.58Å; H764-E779 IonicContact NE2-OE2 3.2Å; H764-E779 PolarHBondContact NE2-OE2 3.48Å; T777-E779 VanDerWaalsContact C-N 3.26Å; T777-E779 PolarHBondContact O-N 3.43Å; T777-E779 VanDerWaalsContact O-N 3.16Å; E779-N783 PolarHBondContact O-ND2 3.42Å; E779-M829 HydrophobicContact CB-CG 3.68Å; E779-M829 HydrophobicContact CB-SD 3.22Å; E779-M829 WeakPolarHBondContact CB-SD 3.44Å; E779-M829 HydrophobicContact CG-SD 3.74Å |
| 780 | C | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -66.1 | -175.1 | 172.2 | 0 | 0 | 0 | 0 | 111 | T777 C782 N783 A832 L833 | T777-C780 WeakPolarHBondContact O-CB 3.47Å; T777-C780 PolarHBondContact O-N 3.24Å; C780-C782 VanDerWaalsContact C-N 3.28Å; C780-C782 PolarHBondContact O-N 3.26Å; C780-N783 VanDerWaalsContact O-CB 3.31Å; C780-N783 WeakPolarHBondContact O-CB 3.23Å; C780-N783 PolarHBondContact O-N 2.97Å; C780-N783 PolarHBondContact O-ND2 2.88Å; C780-A832 HydrophobicContact CB-CB 4.04Å; C780-A832 VanDerWaalsContact SG-CB 3.51Å; C780-L833 WeakPolarHBondContact SG-CA 3.41Å; C780-L833 PolarHBondContact SG-N 2.97Å |
| 781 | T | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 3% | 0.025 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -26.1 | -168.2 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | Q767 E772 T777 N783 L784 W785 Y836 | Q767-T781 PolarHBondContact NE2-OG1 3.03Å; E772-T781 WeakPolarHBondContact OE1-CB 3.21Å; E772-T781 PolarHBondContact OE1-OG1 3.45Å; E772-T781 PolarHBondContact OE2-OG1 2.85Å; T777-T781 HydrophobicContact CG2-CG2 4.27Å; T777-T781 PolarHBondContact O-N 3.46Å; T777-T781 PolarHBondContact O-OG1 2.87Å; T781-N783 PolarHBondContact O-N 3.2Å; T781-L784 VanDerWaalsContact O-CB 3.23Å; T781-L784 WeakPolarHBondContact O-CB 3.43Å; T781-L784 VanDerWaalsContact O-CG 3.23Å; T781-L784 WeakPolarHBondContact O-CG 3.36Å; T781-L784 PolarHBondContact O-N 3.32Å; T781-W785 WeakPolarHBondContact O-CZ3 3.43Å; T781-Y836 HydrophobicContact CG2-CE1 4.22Å; T781-Y836 HydrophobicContact CG2-CE2 3.95Å |
| 782 | C | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -53.4 | -34.2 | 169.3 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | H760 H764 C780 L784 W785 | H760-C782 PolarHBondContact CE1-SG 3.34Å; H764-C782 HydrophobicContact CB-CB 4.48Å; H764-C782 VanDerWaalsContact CE1-SG 3.53Å; C780-C782 VanDerWaalsContact C-N 3.28Å; C780-C782 PolarHBondContact O-N 3.26Å; C782-L784 PolarHBondContact O-N 3.47Å; C782-W785 PolarHBondContact O-N 2.89Å |
| 783 | N | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.8 | -12.4 | 177.9 | -66.4 | -67 | 0 | 0 | 0 | 114 | W756 H760 E779 C780 T781 W785 S786 V787 L833 | W756-N783 HydrophobicContact CZ2-CB 4Å; W756-N783 WeakPolarHBondContact CZ2-OD1 3.35Å; W756-N783 PolarHBondContact NE1-OD1 3.28Å; H760-N783 PolarHBondContact ND1-OD1 3.04Å; E779-N783 PolarHBondContact O-ND2 3.42Å; C780-N783 VanDerWaalsContact O-CB 3.31Å; C780-N783 WeakPolarHBondContact O-CB 3.23Å; C780-N783 PolarHBondContact O-N 2.97Å; C780-N783 PolarHBondContact O-ND2 2.88Å; T781-N783 PolarHBondContact O-N 3.2Å; N783-W785 PolarHBondContact O-N 3.16Å; N783-S786 WeakPolarHBondContact O-CB 3.49Å; N783-S786 PolarHBondContact O-N 2.87Å; N783-V787 WeakPolarHBondContact O-CG2 3.5Å; N783-V787 PolarHBondContact O-N 3.02Å; N783-L833 HydrophobicContact CB-CD1 4.13Å; N783-L833 HydrophobicContact CB-CD2 3.7Å |
| 784 | L | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.4 | -41.6 | 171.3 | -62.8 | 176.7 | 0 | 0 | 0 | 110.6 | L704 T781 C782 V787 Y788 L833 Y836 M837 W845 F848 F852 | L704-L784 HydrophobicContact CD2-CB 4.17Å; T781-L784 VanDerWaalsContact O-CB 3.23Å; T781-L784 WeakPolarHBondContact O-CB 3.43Å; T781-L784 VanDerWaalsContact O-CG 3.23Å; T781-L784 WeakPolarHBondContact O-CG 3.36Å; T781-L784 PolarHBondContact O-N 3.32Å; C782-L784 PolarHBondContact O-N 3.47Å; L784-V787 PolarHBondContact O-N 3.02Å; L784-Y788 WeakPolarHBondContact O-CB 3.45Å; L784-Y788 PolarHBondContact O-N 3.12Å; L784-L833 HydrophobicContact CD2-CD1 3.89Å; L784-L833 HydrophobicContact CG-CD1 4.48Å; L784-Y836 HydrophobicContact CD1-CD1 4.49Å; L784-Y836 HydrophobicContact CD2-CG 4.39Å; L784-M837 HydrophobicContact CD2-CE 3.36Å; L784-W845 HydrophobicContact CB-CZ3 4.4Å; L784-W845 HydrophobicContact CD2-CZ3 4.49Å; L784-W845 WeakPolarHBondContact O-CH2 3.23Å; L784-F848 HydrophobicContact CD1-CD1 4.12Å; L784-F848 HydrophobicContact CD1-CE1 3.89Å; L784-F848 HydrophobicContact CD2-CE1 4.3Å; L784-F852 HydrophobicContact CD1-CZ 4.08Å |
| 785 | W | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 174.8 | -75.8 | -90.7 | 0 | 0 | 0 | 111.7 | I701 L704 A705 I759 Q766 T781 C782 N783 V787 Y788 V789 F852 | I701-W785 HydrophobicContact CD1-CB 4.01Å; I701-W785 HydrophobicContact CD1-CG 4.16Å; I701-W785 PolarHBondContact O-NE1 3.04Å; I701-W785 VanDerWaalsContact O-NE1 3.12Å; L704-W785 HydrophobicContact CD2-CB 4.46Å; L704-W785 HydrophobicContact CD2-CD2 3.89Å; L704-W785 HydrophobicContact CD2-CG 3.85Å; L704-W785 HydrophobicContact CG-CZ2 4.45Å; A705-W785 HydrophobicContact CB-CZ2 3.96Å; I759-W785 VanDerWaalsContact CG2-C 3.49Å; I759-W785 HydrophobicContact CG2-CB 4.2Å; I759-W785 WeakPolarHBondContact CG2-O 3.38Å; Q766-W785 HydrophobicContact CB-CD2 4.16Å; Q766-W785 HydrophobicContact CB-CH2 3.74Å; Q766-W785 HydrophobicContact CB-CZ2 3.31Å; Q766-W785 HydrophobicContact CB-CZ3 4.32Å; Q766-W785 HydrophobicContact CG-CD2 4.43Å; Q766-W785 HydrophobicContact CG-CZ2 4.03Å; T781-W785 WeakPolarHBondContact O-CZ3 3.43Å; C782-W785 PolarHBondContact O-N 2.89Å; N783-W785 PolarHBondContact O-N 3.16Å; W785-V787 PolarHBondContact O-N 3.25Å; W785-Y788 PolarHBondContact O-N 2.9Å; W785-V789 WeakPolarHBondContact O-CB 3.18Å; W785-V789 WeakPolarHBondContact O-CG2 3.22Å; W785-V789 PolarHBondContact O-N 3.14Å; W785-F852 AromaticContact CH2-CE2 3.8Å; W785-F852 HydrophobicContact CH2-CE2 3.8Å; W785-F852 HydrophobicContact CH2-CZ 4.29Å; W785-F852 HydrophobicContact CZ2-CD2 4.46Å; W785-F852 HydrophobicContact CZ2-CE2 4.02Å |
| 786 | S | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.7 | -50.9 | 175.5 | -58 | 0 | 0 | 0 | 0 | 111.4 | W756 I759 H760 N783 H790 | W756-S786 PolarHBondContact O-OG 3.27Å; I759-S786 VanDerWaalsContact CG2-CA 3.49Å; H760-S786 VanDerWaalsContact CA-OG 3.28Å; H760-S786 WeakPolarHBondContact CA-OG 3.44Å; H760-S786 WeakPolarHBondContact CB-OG 3.31Å; H760-S786 PolarHBondContact N-OG 2.68Å; N783-S786 WeakPolarHBondContact O-CB 3.49Å; N783-S786 PolarHBondContact O-N 2.87Å; S786-H790 PolarHBondContact O-N 3.47Å; S786-H790 PolarHBondContact O-ND1 3.28Å |
| 787 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 177.1 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | W756 N783 L784 W785 V789 H790 E791 R798 M805 M837 W845 | W756-V787 HydrophobicContact CH2-CG2 3.53Å; W756-V787 HydrophobicContact CZ3-CG2 4.01Å; N783-V787 WeakPolarHBondContact O-CG2 3.5Å; N783-V787 PolarHBondContact O-N 3.02Å; L784-V787 PolarHBondContact O-N 3.02Å; W785-V787 PolarHBondContact O-N 3.25Å; V787-V789 PolarHBondContact O-N 3.13Å; V787-H790 PolarHBondContact O-N 3.24Å; V787-E791 HydrophobicContact CG1-CG 4.34Å; V787-E791 WeakPolarHBondContact O-CG 3.44Å; V787-E791 PolarHBondContact O-N 2.8Å; V787-R798 HydrophobicContact CG1-CB 3.88Å; V787-M805 HydrophobicContact CG2-CE 3.93Å; V787-M805 HydrophobicContact CG2-SD 4.49Å; V787-M837 HydrophobicContact CB-SD 4.5Å; V787-M837 HydrophobicContact CG1-SD 4.22Å; V787-M837 HydrophobicContact CG2-CE 4.48Å; V787-M837 HydrophobicContact CG2-SD 4.04Å; V787-W845 HydrophobicContact CB-CH2 4.21Å; V787-W845 HydrophobicContact CB-CZ2 4.11Å; V787-W845 HydrophobicContact CG1-CH2 4.32Å; V787-W845 HydrophobicContact CG1-CZ2 3.79Å |
| 788 | Y | 98.6 | Very high | 97 | Very high | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | -175.1 | -177 | -110 | 0 | 0 | 0 | 113.3 | A700 D703 L704 L784 W785 H790 E791 V792 W845 K849 | A700-Y788 HydrophobicContact CB-CD1 4.25Å; A700-Y788 HydrophobicContact CB-CE1 3.93Å; A700-Y788 VanDerWaalsContact O-CE1 3.31Å; A700-Y788 WeakPolarHBondContact O-CE1 3.1Å; D703-Y788 PolarHBondContact OD2-OH 3.38Å; L704-Y788 HydrophobicContact CB-CD1 3.65Å; L704-Y788 HydrophobicContact CB-CE1 3.86Å; L704-Y788 HydrophobicContact CB-CG 4.15Å; L704-Y788 HydrophobicContact CD1-CD2 4.46Å; L704-Y788 HydrophobicContact CD1-CG 4.43Å; L704-Y788 HydrophobicContact CD2-CD1 4.17Å; L704-Y788 HydrophobicContact CD2-CG 3.94Å; L704-Y788 HydrophobicContact CG-CD1 4.38Å; L704-Y788 HydrophobicContact CG-CG 4.4Å; L784-Y788 WeakPolarHBondContact O-CB 3.45Å; L784-Y788 PolarHBondContact O-N 3.12Å; W785-Y788 PolarHBondContact O-N 2.9Å; Y788-H790 VanDerWaalsContact C-N 3.34Å; Y788-H790 PolarHBondContact O-N 3.08Å; Y788-E791 PolarHBondContact O-N 2.82Å; Y788-V792 HydrophobicContact CD2-CG2 3.78Å; Y788-V792 HydrophobicContact CE2-CB 4.32Å; Y788-V792 HydrophobicContact CE2-CG2 3.49Å; Y788-V792 VanDerWaalsContact CE2-CG2 3.49Å; Y788-V792 HydrophobicContact CG-CG2 4.45Å; Y788-V792 WeakPolarHBondContact O-CB 3.42Å; Y788-V792 WeakPolarHBondContact O-CG2 3.44Å; Y788-V792 PolarHBondContact O-N 2.85Å; Y788-W845 HydrophobicContact CD2-CB 4.13Å; Y788-W845 AromaticContact CD2-CD1 3.74Å; Y788-W845 AromaticContact CD2-CD2 3.44Å; Y788-W845 HydrophobicContact CD2-CD2 3.44Å; Y788-W845 VanDerWaalsContact CD2-CD2 3.44Å; Y788-W845 AromaticContact CD2-CE2 3.64Å; Y788-W845 AromaticContact CD2-CE3 3.92Å; Y788-W845 HydrophobicContact CD2-CE3 3.92Å; Y788-W845 AromaticContact CD2-CG 3.53Å; Y788-W845 HydrophobicContact CD2-CG 3.53Å; Y788-W845 HydrophobicContact CD2-CZ2 4.26Å; Y788-W845 HydrophobicContact CD2-CZ3 4.49Å; Y788-W845 AromaticContact CD2-NE1 3.8Å; Y788-W845 HydrophobicContact CE2-CB 3.8Å; Y788-W845 AromaticContact CE2-CD1 3.92Å; Y788-W845 HydrophobicContact CE2-CD2 4.07Å; Y788-W845 AromaticContact CE2-CG 3.67Å; Y788-W845 HydrophobicContact CE2-CG 3.67Å; Y788-W845 HydrophobicContact CG-CD2 4.41Å; Y788-K849 WeakPolarHBondContact OH-CE 3.39Å; Y788-K849 PolarHBondContact OH-NZ 3.41Å; Y788-K849 VanDerWaalsContact OH-NZ 3.1Å |
| 789 | V | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.8 | -40.3 | -179.7 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | I697 A700 I701 I759 W785 V787 E791 V793 F794 | I697-V789 HydrophobicContact CG1-CG1 4.18Å; I697-V789 HydrophobicContact CG2-CG1 4.23Å; A700-V789 HydrophobicContact CB-CG2 4.13Å; I701-V789 HydrophobicContact CD1-CG2 3.78Å; I701-V789 HydrophobicContact CG1-CG2 4.39Å; I759-V789 HydrophobicContact CD1-CG1 4Å; I759-V789 HydrophobicContact CG1-CB 4.4Å; I759-V789 HydrophobicContact CG1-CG1 4.14Å; I759-V789 HydrophobicContact CG2-CB 3.92Å; I759-V789 HydrophobicContact CG2-CG1 4.49Å; I759-V789 HydrophobicContact CG2-CG2 3.76Å; W785-V789 WeakPolarHBondContact O-CB 3.18Å; W785-V789 WeakPolarHBondContact O-CG2 3.22Å; W785-V789 PolarHBondContact O-N 3.14Å; V787-V789 PolarHBondContact O-N 3.13Å; V789-E791 VanDerWaalsContact C-N 3.33Å; V789-E791 PolarHBondContact O-N 2.81Å; V789-V793 HydrophobicContact CG1-CB 4.11Å; V789-V793 HydrophobicContact CG1-CG2 4.1Å; V789-V793 WeakPolarHBondContact O-CA 3.44Å; V789-V793 VanDerWaalsContact O-CB 3.28Å; V789-V793 WeakPolarHBondContact O-CB 3.37Å; V789-V793 PolarHBondContact O-N 3.1Å; V789-F794 HydrophobicContact CG1-CD2 4.48Å; V789-F794 HydrophobicContact CG1-CE1 4.12Å; V789-F794 HydrophobicContact CG1-CE2 3.85Å; V789-F794 HydrophobicContact CG1-CZ 3.64Å; V789-F794 PolarHBondContact O-N 2.85Å |
| 790 | H | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 178.3 | -74.3 | 69 | 0 | 0 | 0 | 111.3 | G754 I755 W756 S786 V787 Y788 F794 G795 I796 A801 | G754-H790 WeakPolarHBondContact CA-NE2 3.48Å; I755-H790 PolarHBondContact N-NE2 2.85Å; I755-H790 VanDerWaalsContact N-NE2 3.2Å; W756-H790 PolarHBondContact N-CE1 3.41Å; W756-H790 PolarHBondContact N-NE2 3.47Å; S786-H790 PolarHBondContact O-N 3.47Å; S786-H790 PolarHBondContact O-ND1 3.28Å; V787-H790 PolarHBondContact O-N 3.24Å; Y788-H790 VanDerWaalsContact C-N 3.34Å; Y788-H790 PolarHBondContact O-N 3.08Å; H790-F794 HydrophobicContact CB-CD2 4.32Å; H790-F794 AromaticContact CD2-CD2 3.76Å; H790-F794 AromaticContact CE1-CE2 3.97Å; H790-F794 AromaticContact CG-CD2 3.86Å; H790-F794 CarbonylContact O-C 3.29Å; H790-F794 WeakPolarHBondContact O-CB 3.43Å; H790-F794 PolarHBondContact O-N 3.41Å; H790-G795 PolarHBondContact O-N 3.38Å; H790-I796 CarbonylContact C-O 3.59Å; H790-I796 VanDerWaalsContact C-O 3.29Å; H790-I796 HydrophobicContact CB-CB 4.36Å; H790-I796 PolarHBondContact O-N 3.47Å; H790-A801 HydrophobicContact CB-CB 3.85Å |
| 791 | E | 96.5 | Very high | 96.7 | Very high | 51 Ų | 51 | 33.4 Ų | 33.4 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.8 | -45.9 | 179.7 | -69.6 | -176.1 | 156.3 | 0 | 0 | 112.8 | V787 Y788 V789 I796 R798 W845 | V787-E791 HydrophobicContact CG1-CG 4.34Å; V787-E791 WeakPolarHBondContact O-CG 3.44Å; V787-E791 PolarHBondContact O-N 2.8Å; Y788-E791 PolarHBondContact O-N 2.82Å; V789-E791 VanDerWaalsContact C-N 3.33Å; V789-E791 PolarHBondContact O-N 2.81Å; E791-I796 PolarHBondContact N-O 3.45Å; E791-R798 VanDerWaalsContact CD-NH2 3.28Å; E791-R798 IonicContact OE1-CZ 3.45Å; E791-R798 IonicContact OE1-NE 3.79Å; E791-R798 PolarHBondContact OE1-NE 3.08Å; E791-R798 IonicContact OE1-NH2 2.7Å; E791-R798 PolarHBondContact OE1-NH2 3.2Å; E791-R798 IonicContact OE2-NH2 2.65Å; E791-R798 PolarHBondContact OE2-NH2 2.61Å; E791-W845 PolarHBondContact OE2-NE1 3.28Å |
| 792 | V | 96.8 | Very high | 96.7 | Very high | 80 Ų | 80 | 36.4 Ų | 36.4 | 49% | 0.485 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -92.4 | -31.8 | -167.1 | -179 | 0 | 0 | 0 | 0 | 113 | Y788 | Y788-V792 HydrophobicContact CD2-CG2 3.78Å; Y788-V792 HydrophobicContact CE2-CB 4.32Å; Y788-V792 HydrophobicContact CE2-CG2 3.49Å; Y788-V792 VanDerWaalsContact CE2-CG2 3.49Å; Y788-V792 HydrophobicContact CG-CG2 4.45Å; Y788-V792 WeakPolarHBondContact O-CB 3.42Å; Y788-V792 WeakPolarHBondContact O-CG2 3.44Å; Y788-V792 PolarHBondContact O-N 2.85Å |
| 793 | V | 97.2 | Very high | 96.6 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 26% | 0.255 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -48.3 | -179.3 | -174 | 0 | 0 | 0 | 0 | 110.9 | D696 I697 A700 V789 | D696-V793 HydrophobicContact CB-CG1 3.96Å; I697-V793 HydrophobicContact CG1-CG1 4.21Å; A700-V793 HydrophobicContact CB-CG2 3.38Å; V789-V793 HydrophobicContact CG1-CB 4.11Å; V789-V793 HydrophobicContact CG1-CG2 4.1Å; V789-V793 WeakPolarHBondContact O-CA 3.44Å; V789-V793 VanDerWaalsContact O-CB 3.28Å; V789-V793 WeakPolarHBondContact O-CB 3.37Å; V789-V793 PolarHBondContact O-N 3.1Å |
| 794 | F | 96.6 | Very high | 96.4 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 9% | 0.088 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -88.1 | -16.4 | -175.3 | -50 | -28.6 | 0 | 0 | 0 | 113.4 | L693 I697 V750 I755 V789 H790 I796 | L693-F794 HydrophobicContact CD1-CD1 4.42Å; L693-F794 HydrophobicContact CD1-CE1 3.97Å; I697-F794 HydrophobicContact CD1-CE1 3.73Å; I697-F794 HydrophobicContact CD1-CZ 3.7Å; I697-F794 HydrophobicContact CG1-CE1 3.63Å; I697-F794 HydrophobicContact CG1-CZ 3.79Å; V750-F794 HydrophobicContact CG1-CD1 4.18Å; V750-F794 HydrophobicContact CG1-CE1 3.52Å; V750-F794 HydrophobicContact CG1-CE2 4.12Å; V750-F794 HydrophobicContact CG1-CZ 3.48Å; V750-F794 VanDerWaalsContact CG1-CZ 3.48Å; I755-F794 HydrophobicContact CD1-CZ 4.41Å; I755-F794 HydrophobicContact CG1-CE2 4.04Å; I755-F794 HydrophobicContact CG1-CZ 4.03Å; V789-F794 HydrophobicContact CG1-CD2 4.48Å; V789-F794 HydrophobicContact CG1-CE1 4.12Å; V789-F794 HydrophobicContact CG1-CE2 3.85Å; V789-F794 HydrophobicContact CG1-CZ 3.64Å; V789-F794 PolarHBondContact O-N 2.85Å; H790-F794 HydrophobicContact CB-CD2 4.32Å; H790-F794 AromaticContact CD2-CD2 3.76Å; H790-F794 AromaticContact CE1-CE2 3.97Å; H790-F794 AromaticContact CG-CD2 3.86Å; H790-F794 CarbonylContact O-C 3.29Å; H790-F794 WeakPolarHBondContact O-CB 3.43Å; H790-F794 PolarHBondContact O-N 3.41Å; F794-I796 HydrophobicContact CB-CB 4.37Å; F794-I796 HydrophobicContact CB-CD1 3.79Å; F794-I796 HydrophobicContact CB-CG1 3.8Å; F794-I796 HydrophobicContact CD2-CD1 4.4Å; F794-I796 PolarHBondContact O-N 3.08Å |
| 795 | G | 95.9 | Very high | 96.3 | Very high | 63 Ų | 63 | 39.1 Ų | 39.1 | 65% | 0.649 | 22% | 0.221 | S | C | * | . | trans | 66.6 | 18.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113.3 | H790 | H790-G795 PolarHBondContact O-N 3.38Š| ||
| 796 | I | 96.2 | Very high | 96.2 | Very high | 19 Ų | 19 | 41 Ų | 41 | 10% | 0.097 | 23% | 0.232 | C | C | . | . | trans | -91.5 | 117.1 | 178.8 | -60.1 | 173.9 | 0 | 0 | 0 | 108.1 | H790 E791 F794 K800 A801 | H790-I796 CarbonylContact C-O 3.59Å; H790-I796 VanDerWaalsContact C-O 3.29Å; H790-I796 HydrophobicContact CB-CB 4.36Å; H790-I796 PolarHBondContact O-N 3.47Å; E791-I796 PolarHBondContact N-O 3.45Å; F794-I796 HydrophobicContact CB-CB 4.37Å; F794-I796 HydrophobicContact CB-CD1 3.79Å; F794-I796 HydrophobicContact CB-CG1 3.8Å; F794-I796 HydrophobicContact CD2-CD1 4.4Å; F794-I796 PolarHBondContact O-N 3.08Å; I796-K800 HydrophobicContact CG2-CB 4.01Å; I796-A801 HydrophobicContact CG2-CB 4.03Å | ||
| 797 | K | 94.4 | Very high | 96 | Very high | 143 Ų | 143 | 46.7 Ų | 46.7 | 62% | 0.622 | 26% | 0.262 | S | S | * | . | trans | -61.2 | 143.7 | 174.8 | -60.6 | -172.7 | 177.8 | -174 | 0 | 110.8 | D799 K800 A801 | K797-D799 WeakPolarHBondContact CB-OD1 3.39Å; K797-D799 PolarHBondContact O-N 3.11Å; K797-D799 VanDerWaalsContact O-N 3.12Å; K797-K800 WeakPolarHBondContact O-CA 3.49Å; K797-K800 WeakPolarHBondContact O-CB 3.21Å; K797-K800 PolarHBondContact O-N 3.16Å; K797-A801 PolarHBondContact O-N 2.84Å | ||
| 798 | R | 94.3 | Very high | 96 | Very high | 23 Ų | 23 | 54 Ų | 54 | 9% | 0.087 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -52.9 | -36.9 | -175.7 | 70.9 | -172.9 | 63.2 | 179.6 | -5.4 | 114.6 | V787 E791 K800 A801 H802 M805 Q840 E841 | V787-R798 HydrophobicContact CG1-CB 3.88Å; E791-R798 VanDerWaalsContact CD-NH2 3.28Å; E791-R798 IonicContact OE1-CZ 3.45Å; E791-R798 IonicContact OE1-NE 3.79Å; E791-R798 PolarHBondContact OE1-NE 3.08Å; E791-R798 IonicContact OE1-NH2 2.7Å; E791-R798 PolarHBondContact OE1-NH2 3.2Å; E791-R798 IonicContact OE2-NH2 2.65Å; E791-R798 PolarHBondContact OE2-NH2 2.61Å; R798-K800 PolarHBondContact O-N 3.03Å; R798-A801 PolarHBondContact O-N 2.88Å; R798-A801 VanDerWaalsContact O-N 3.13Å; R798-H802 PolarHBondContact O-N 3.25Å; R798-M805 HydrophobicContact CB-CB 4.33Å; R798-M805 HydrophobicContact CB-CE 4.26Å; R798-M805 HydrophobicContact CG-CB 4.5Å; R798-M805 HydrophobicContact CG-CE 4.29Å; R798-M805 WeakPolarHBondContact O-CB 3.34Å; R798-Q840 VanDerWaalsContact CZ-OE1 3.24Å; R798-Q840 VanDerWaalsContact NH2-CD 3.26Å; R798-E841 IonicContact NH1-OE1 3.5Å |
| 799 | D | 93.6 | Very high | 95.9 | Very high | 72 Ų | 72 | 56.7 Ų | 56.7 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.4 | -22.8 | 178.4 | 62.6 | -64.3 | 0 | 0 | 0 | 113.1 | K797 | K797-D799 WeakPolarHBondContact CB-OD1 3.39Å; K797-D799 PolarHBondContact O-N 3.11Å; K797-D799 VanDerWaalsContact O-N 3.12Å |
| 800 | K | 94.3 | Very high | 95.8 | Very high | 161 Ų | 161 | 57.3 Ų | 57.3 | 70% | 0.7 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -97.8 | -18.9 | 174 | -60.2 | -172.9 | 179.1 | -175.9 | 0 | 113.2 | I796 K797 R798 | I796-K800 HydrophobicContact CG2-CB 4.01Å; K797-K800 WeakPolarHBondContact O-CA 3.49Å; K797-K800 WeakPolarHBondContact O-CB 3.21Å; K797-K800 PolarHBondContact O-N 3.16Å; R798-K800 PolarHBondContact O-N 3.03Å |
| 801 | A | 93.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 10% | 0.099 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -73.3 | -36.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W756 H790 I796 K797 R798 | W756-A801 HydrophobicContact CE3-CB 4.05Å; W756-A801 HydrophobicContact CZ3-CB 4.01Å; H790-A801 HydrophobicContact CB-CB 3.85Å; I796-A801 HydrophobicContact CG2-CB 4.03Å; K797-A801 PolarHBondContact O-N 2.84Å; R798-A801 PolarHBondContact O-N 2.88Å; R798-A801 VanDerWaalsContact O-N 3.13Å |
| 802 | H | 95.7 | Very high | 95.6 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 32% | 0.315 | 34% | 0.343 | S | S | . | . | trans | -154 | 139.6 | 177.8 | -165.9 | -92.1 | 0 | 0 | 0 | 112.1 | W756 R798 A804 M805 W830 | W756-H802 HydrophobicContact CD2-CB 3.86Å; W756-H802 HydrophobicContact CE3-CB 3.63Å; W756-H802 AromaticContact CG-CD2 3.96Å; W756-H802 HydrophobicContact CH2-CB 4.08Å; W756-H802 HydrophobicContact CZ2-CB 4.31Å; W756-H802 HydrophobicContact CZ3-CB 3.75Å; R798-H802 PolarHBondContact O-N 3.25Å; H802-A804 VanDerWaalsContact ND1-CB 3.29Å; H802-A804 WeakPolarHBondContact ND1-CB 3.33Å; H802-A804 PolarHBondContact ND1-N 3Å; H802-A804 VanDerWaalsContact ND1-N 3.18Å; H802-A804 PolarHBondContact O-N 2.77Å; H802-A804 VanDerWaalsContact O-N 3.14Å; H802-M805 HydrophobicContact CB-CG 4.21Å; H802-M805 WeakPolarHBondContact O-CB 3.44Å; H802-M805 PolarHBondContact O-N 3.01Å; H802-W830 AromaticContact CE1-CH2 3.56Å; H802-W830 AromaticContact CE1-CZ2 3.47Å; H802-W830 VanDerWaalsContact CE1-CZ2 3.47Å; H802-W830 WeakPolarHBondContact CE1-CZ2 3.41Å; H802-W830 AromaticContact ND1-CH2 3.46Å; H802-W830 WeakPolarHBondContact ND1-CH2 3.25Å; H802-W830 AromaticContact ND1-CZ2 3.84Å | ||
| 803 | G | 95.6 | Very high | 95.5 | Very high | 46 Ų | 46 | 61.7 Ų | 61.7 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -59.8 | -30.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | M805 T806 N809 | G803-M805 PolarHBondContact O-N 2.79Å; G803-T806 WeakPolarHBondContact O-CG2 3.35Å; G803-T806 PolarHBondContact O-N 2.55Å; G803-T806 PolarHBondContact O-OG1 3.16Å; G803-T806 VanDerWaalsContact O-OG1 3.08Å; G803-N809 PolarHBondContact O-ND2 2.6Å |
| 804 | A | 95.3 | Very high | 95.4 | Very high | 13 Ų | 13 | 61 Ų | 61 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -68.6 | -15.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H802 R813 W830 | H802-A804 VanDerWaalsContact ND1-CB 3.29Å; H802-A804 WeakPolarHBondContact ND1-CB 3.33Å; H802-A804 PolarHBondContact ND1-N 3Å; H802-A804 VanDerWaalsContact ND1-N 3.18Å; H802-A804 PolarHBondContact O-N 2.77Å; H802-A804 VanDerWaalsContact O-N 3.14Å; A804-R813 VanDerWaalsContact O-CZ 3.26Å; A804-R813 PolarHBondContact O-NH1 3.47Å; A804-R813 PolarHBondContact O-NH2 2.95Å; A804-W830 HydrophobicContact CB-CD2 3.75Å; A804-W830 HydrophobicContact CB-CE3 3.67Å; A804-W830 HydrophobicContact CB-CG 4.49Å; A804-W830 HydrophobicContact CB-CH2 3.86Å; A804-W830 HydrophobicContact CB-CZ2 3.91Å; A804-W830 HydrophobicContact CB-CZ3 3.74Å |
| 805 | M | 96.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -96.5 | 0.2 | -176.9 | -66.2 | -56.8 | -62.3 | 0 | 0 | 113.6 | W756 V787 R798 H802 G803 R810 W830 L833 M837 | W756-M805 HydrophobicContact CH2-CG 3.72Å; W756-M805 HydrophobicContact CH2-SD 4.34Å; W756-M805 HydrophobicContact CZ3-CG 4.22Å; V787-M805 HydrophobicContact CG2-CE 3.93Å; V787-M805 HydrophobicContact CG2-SD 4.49Å; R798-M805 HydrophobicContact CB-CB 4.33Å; R798-M805 HydrophobicContact CB-CE 4.26Å; R798-M805 HydrophobicContact CG-CB 4.5Å; R798-M805 HydrophobicContact CG-CE 4.29Å; R798-M805 WeakPolarHBondContact O-CB 3.34Å; H802-M805 HydrophobicContact CB-CG 4.21Å; H802-M805 WeakPolarHBondContact O-CB 3.44Å; H802-M805 PolarHBondContact O-N 3.01Å; G803-M805 PolarHBondContact O-N 2.79Å; M805-R810 WeakPolarHBondContact O-CD 3.08Å; M805-W830 HydrophobicContact CG-CZ3 4.44Å; M805-W830 HydrophobicContact SD-CE3 4.48Å; M805-W830 HydrophobicContact SD-CZ3 4.1Å; M805-L833 HydrophobicContact SD-CD2 3.95Å; M805-M837 HydrophobicContact CE-CG 3.85Å; M805-M837 HydrophobicContact CE-SD 3.63Å |
| 806 | T | 96.6 | Very high | 95.3 | Very high | 39 Ų | 39 | 66.9 Ų | 66.9 | 24% | 0.239 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -61.4 | 147.3 | 171.8 | 60.6 | 0 | 0 | 0 | 0 | 110.9 | G803 E808 N809 R810 | G803-T806 WeakPolarHBondContact O-CG2 3.35Å; G803-T806 PolarHBondContact O-N 2.55Å; G803-T806 PolarHBondContact O-OG1 3.16Å; G803-T806 VanDerWaalsContact O-OG1 3.08Å; T806-E808 PolarHBondContact O-N 3.41Å; T806-N809 PolarHBondContact O-N 2.79Å; T806-N809 WeakPolarHBondContact OG1-CB 3.44Å; T806-N809 PolarHBondContact OG1-N 3.4Å; T806-N809 PolarHBondContact OG1-ND2 3.41Å; T806-R810 WeakPolarHBondContact O-CG 3.45Å; T806-R810 PolarHBondContact O-N 2.73Å |
| 807 | L | 94.6 | Very high | 95.2 | Very high | 119 Ų | 119 | 66.7 Ų | 66.7 | 62% | 0.623 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -57.9 | -38.1 | -179.1 | -177.2 | 62 | 0 | 0 | 0 | 112 | N811 | L807-N811 VanDerWaalsContact O-CB 3.27Å; L807-N811 WeakPolarHBondContact O-CB 3.32Å; L807-N811 PolarHBondContact O-N 2.96Å; L807-N811 PolarHBondContact O-ND2 3.46Å |
| 808 | E | 96.3 | Very high | 95.2 | Very high | 155 Ų | 155 | 63 Ų | 63 | 72% | 0.724 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.6 | -52.9 | 176.3 | -175.5 | -176.8 | 169.7 | 0 | 0 | 111.8 | T806 R810 N811 K812 | T806-E808 PolarHBondContact O-N 3.41Å; E808-R810 VanDerWaalsContact C-N 3.35Å; E808-R810 PolarHBondContact O-N 2.91Å; E808-N811 PolarHBondContact O-N 3.28Å; E808-K812 VanDerWaalsContact O-CB 3.3Å; E808-K812 WeakPolarHBondContact O-CB 3.33Å; E808-K812 PolarHBondContact O-N 2.75Å |
| 809 | N | 97.2 | Very high | 95.2 | Very high | 62 Ų | 62 | 69.4 Ų | 69.4 | 33% | 0.332 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | -178.9 | -79.6 | -31.1 | 0 | 0 | 0 | 112.4 | G803 T806 R813 | G803-N809 PolarHBondContact O-ND2 2.6Å; T806-N809 PolarHBondContact O-N 2.79Å; T806-N809 WeakPolarHBondContact OG1-CB 3.44Å; T806-N809 PolarHBondContact OG1-N 3.4Å; T806-N809 PolarHBondContact OG1-ND2 3.41Å; N809-R813 WeakPolarHBondContact O-CG 3.48Å; N809-R813 PolarHBondContact O-N 3.43Å |
| 810 | R | 95.9 | Very high | 95.1 | Very high | 13 Ų | 13 | 68.5 Ų | 68.5 | 5% | 0.049 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.6 | -50.1 | 175.8 | -71 | 179.9 | 64.7 | -158.9 | -7.4 | 111.7 | M805 T806 E808 K812 R813 M814 E834 E841 | M805-R810 WeakPolarHBondContact O-CD 3.08Å; T806-R810 WeakPolarHBondContact O-CG 3.45Å; T806-R810 PolarHBondContact O-N 2.73Å; E808-R810 VanDerWaalsContact C-N 3.35Å; E808-R810 PolarHBondContact O-N 2.91Å; R810-K812 VanDerWaalsContact C-N 3.32Å; R810-K812 PolarHBondContact O-N 3.43Å; R810-R813 PolarHBondContact O-N 3.31Å; R810-M814 PolarHBondContact O-N 3.31Å; R810-E834 WeakPolarHBondContact CB-OE2 3.48Å; R810-E834 VanDerWaalsContact CG-OE2 3.29Å; R810-E834 WeakPolarHBondContact CG-OE2 2.99Å; R810-E834 IonicContact CZ-OE1 3.28Å; R810-E834 IonicContact CZ-OE2 2.81Å; R810-E834 IonicContact NE-OE1 2.65Å; R810-E834 PolarHBondContact NE-OE1 2.93Å; R810-E834 IonicContact NE-OE2 2.74Å; R810-E834 PolarHBondContact NE-OE2 2.81Å; R810-E834 IonicContact NH2-OE1 2.81Å; R810-E834 PolarHBondContact NH2-OE1 3.37Å; R810-E834 IonicContact NH2-OE2 3.4Å; R810-E841 IonicContact CZ-OE1 3.67Å; R810-E841 IonicContact NH1-OE1 2.83Å; R810-E841 PolarHBondContact NH1-OE1 3.18Å; R810-E841 VanDerWaalsContact NH2-CD 3.3Å; R810-E841 IonicContact NH2-OE1 3.69Å; R810-E841 PolarHBondContact NH2-OE1 2.65Å; R810-E841 IonicContact NH2-OE2 3.18Å; R810-E841 PolarHBondContact NH2-OE2 2.83Å |
| 811 | N | 94.4 | Very high | 95 | Very high | 65 Ų | 65 | 63 Ų | 63 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 177.2 | -75.2 | -18.7 | 0 | 0 | 0 | 112.2 | L807 E808 M814 K815 | L807-N811 VanDerWaalsContact O-CB 3.27Å; L807-N811 WeakPolarHBondContact O-CB 3.32Å; L807-N811 PolarHBondContact O-N 2.96Å; L807-N811 PolarHBondContact O-ND2 3.46Å; E808-N811 PolarHBondContact O-N 3.28Å; N811-M814 PolarHBondContact O-N 3.39Å; N811-K815 WeakPolarHBondContact O-CG 3.46Å; N811-K815 PolarHBondContact O-N 3.08Å |
| 812 | K | 96.1 | Very high | 95 | Very high | 120 Ų | 120 | 65.8 Ų | 65.8 | 52% | 0.522 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -52 | 175.9 | -178.3 | 177.4 | 176.9 | -178.9 | 0 | 111.1 | E808 R810 M814 K815 D816 | E808-K812 VanDerWaalsContact O-CB 3.3Å; E808-K812 WeakPolarHBondContact O-CB 3.33Å; E808-K812 PolarHBondContact O-N 2.75Å; R810-K812 VanDerWaalsContact C-N 3.32Å; R810-K812 PolarHBondContact O-N 3.43Å; K812-M814 VanDerWaalsContact C-N 3.28Å; K812-M814 PolarHBondContact O-N 2.95Å; K812-K815 PolarHBondContact O-N 2.78Å; K812-K815 VanDerWaalsContact O-N 3.14Å; K812-D816 WeakPolarHBondContact O-CB 3.4Å; K812-D816 PolarHBondContact O-N 3.21Å |
| 813 | R | 95.5 | Very high | 94.9 | Very high | 38 Ų | 38 | 68.2 Ų | 68.2 | 14% | 0.143 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.8 | -42.8 | 178.1 | -77.6 | -166 | -59.1 | -95.6 | 1.9 | 112.5 | A804 N809 R810 Y817 W830 | A804-R813 VanDerWaalsContact O-CZ 3.26Å; A804-R813 PolarHBondContact O-NH1 3.47Å; A804-R813 PolarHBondContact O-NH2 2.95Å; N809-R813 WeakPolarHBondContact O-CG 3.48Å; N809-R813 PolarHBondContact O-N 3.43Å; R810-R813 PolarHBondContact O-N 3.31Å; R813-Y817 VanDerWaalsContact O-CB 3.32Å; R813-Y817 WeakPolarHBondContact O-CB 3.3Å; R813-Y817 PolarHBondContact O-N 3.47Å; R813-W830 PolarHBondContact NE-O 3.44Å |
| 814 | M | 94.5 | Very high | 94.8 | Very high | 28 Ų | 28 | 68.2 Ų | 68.2 | 14% | 0.138 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 178 | -172.4 | -179.1 | 68.5 | 0 | 0 | 111.6 | R810 N811 K812 Y817 I818 Q838 W891 M914 | R810-M814 PolarHBondContact O-N 3.31Å; N811-M814 PolarHBondContact O-N 3.39Å; K812-M814 VanDerWaalsContact C-N 3.28Å; K812-M814 PolarHBondContact O-N 2.95Å; M814-Y817 PolarHBondContact O-N 2.99Å; M814-I818 HydrophobicContact CG-CD1 4.04Å; M814-I818 VanDerWaalsContact O-CG1 3.25Å; M814-I818 WeakPolarHBondContact O-CG1 3.24Å; M814-I818 PolarHBondContact O-N 3.15Å; M814-Q838 PolarHBondContact SD-NE2 2.94Å; M814-Q838 VanDerWaalsContact SD-NE2 3.37Å; M814-W891 HydrophobicContact CG-CH2 4.24Å; M814-M914 HydrophobicContact CG-SD 3.5Å; M814-M914 WeakPolarHBondContact CG-SD 3.32Å; M814-M914 HydrophobicContact SD-SD 3.7Å |
| 815 | K | 94.6 | Very high | 94.6 | Very high | 126 Ų | 126 | 72.5 Ų | 72.5 | 55% | 0.548 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 176.5 | -73.7 | 175.2 | -177.8 | -179.6 | 0 | 112 | N811 K812 Y817 I818 Q819 | N811-K815 WeakPolarHBondContact O-CG 3.46Å; N811-K815 PolarHBondContact O-N 3.08Å; K812-K815 PolarHBondContact O-N 2.78Å; K812-K815 VanDerWaalsContact O-N 3.14Å; K815-Y817 VanDerWaalsContact C-N 3.3Å; K815-Y817 PolarHBondContact O-N 2.89Å; K815-I818 PolarHBondContact O-N 3.36Å; K815-Q819 WeakPolarHBondContact O-CB 3.33Å; K815-Q819 VanDerWaalsContact O-CG 3.31Å; K815-Q819 WeakPolarHBondContact O-CG 3.34Å; K815-Q819 PolarHBondContact O-N 3.26Å |
| 816 | D | 95.7 | Very high | 94.4 | Very high | 80 Ų | 80 | 74 Ų | 74 | 43% | 0.428 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 179.6 | -65.1 | -10.5 | 0 | 0 | 0 | 110.6 | K812 Q819 G820 | K812-D816 WeakPolarHBondContact O-CB 3.4Å; K812-D816 PolarHBondContact O-N 3.21Å; D816-Q819 PolarHBondContact O-N 3Å; D816-G820 PolarHBondContact O-N 3.45Å |
| 817 | Y | 95.8 | Very high | 94.4 | Very high | 16 Ų | 16 | 72.2 Ų | 72.2 | 6% | 0.063 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 176.1 | -174.8 | -110.1 | 0 | 0 | 0 | 112.9 | R813 M814 K815 G820 K822 Q823 W827 V831 W891 M914 | R813-Y817 VanDerWaalsContact O-CB 3.32Å; R813-Y817 WeakPolarHBondContact O-CB 3.3Å; R813-Y817 PolarHBondContact O-N 3.47Å; M814-Y817 PolarHBondContact O-N 2.99Å; K815-Y817 VanDerWaalsContact C-N 3.3Å; K815-Y817 PolarHBondContact O-N 2.89Å; Y817-G820 PolarHBondContact O-N 3.36Å; Y817-K822 HydrophobicContact CE1-CB 4.06Å; Y817-K822 HydrophobicContact CE1-CG 4.39Å; Y817-K822 PolarHBondContact O-N 3Å; Y817-K822 VanDerWaalsContact O-N 3.08Å; Y817-K822 VanDerWaalsContact OH-C 3.3Å; Y817-K822 PolarHBondContact OH-O 3.38Å; Y817-Q823 WeakPolarHBondContact CE2-O 3.47Å; Y817-Q823 PolarHBondContact OH-O 3.42Å; Y817-W827 HydrophobicContact CE2-CB 4.17Å; Y817-V831 HydrophobicContact CD1-CG1 4.46Å; Y817-V831 HydrophobicContact CD2-CG1 3.69Å; Y817-V831 HydrophobicContact CE2-CG1 4.23Å; Y817-V831 HydrophobicContact CG-CG1 3.82Å; Y817-W891 AromaticContact CD1-CE3 3.7Å; Y817-W891 HydrophobicContact CD1-CE3 3.7Å; Y817-W891 AromaticContact CD1-CZ3 3.61Å; Y817-W891 HydrophobicContact CD1-CZ3 3.61Å; Y817-W891 AromaticContact CE1-CE3 3.61Å; Y817-W891 HydrophobicContact CE1-CE3 3.61Å; Y817-W891 HydrophobicContact CE1-CZ3 4.01Å; Y817-W891 HydrophobicContact CG-CZ3 4.26Å; Y817-W891 PolarHBondContact OH-O 3.4Å; Y817-W891 VanDerWaalsContact OH-O 3.07Å; Y817-M914 HydrophobicContact CD1-CE 4.34Å |
| 818 | I | 93.7 | Very high | 94.4 | Very high | 65 Ų | 65 | 69 Ų | 69 | 33% | 0.333 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 175.5 | -68.4 | 165.3 | 0 | 0 | 0 | 110.5 | M814 K815 G820 G821 M914 | M814-I818 HydrophobicContact CG-CD1 4.04Å; M814-I818 VanDerWaalsContact O-CG1 3.25Å; M814-I818 WeakPolarHBondContact O-CG1 3.24Å; M814-I818 PolarHBondContact O-N 3.15Å; K815-I818 PolarHBondContact O-N 3.36Å; I818-G820 VanDerWaalsContact C-N 3.28Å; I818-G820 PolarHBondContact O-N 3.41Å; I818-G821 PolarHBondContact O-N 3.39Å; I818-M914 HydrophobicContact CD1-CE 4.13Å; I818-M914 HydrophobicContact CD1-SD 4.15Å; I818-M914 HydrophobicContact CG1-CE 3.82Å; I818-M914 HydrophobicContact CG1-SD 4.47Å |
| 819 | Q | 93.5 | Very high | 94.3 | Very high | 158 Ų | 158 | 65.9 Ų | 65.9 | 74% | 0.738 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.4 | -34.5 | 177.5 | -72.4 | 175.8 | 7.9 | 0 | 0 | 112.3 | K815 D816 G821 | K815-Q819 WeakPolarHBondContact O-CB 3.33Å; K815-Q819 VanDerWaalsContact O-CG 3.31Å; K815-Q819 WeakPolarHBondContact O-CG 3.34Å; K815-Q819 PolarHBondContact O-N 3.26Å; D816-Q819 PolarHBondContact O-N 3Å; Q819-G821 PolarHBondContact O-N 3.45Å; Q819-G821 VanDerWaalsContact O-N 3.12Å |
| 820 | G | 91.2 | Very high | 94.3 | Very high | 53 Ų | 53 | 66 Ų | 66 | 55% | 0.546 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 7.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D816 Y817 I818 | D816-G820 PolarHBondContact O-N 3.45Å; Y817-G820 PolarHBondContact O-N 3.36Å; I818-G820 VanDerWaalsContact C-N 3.28Å; I818-G820 PolarHBondContact O-N 3.41Å |
| 821 | G | 93.4 | Very high | 94.3 | Very high | 45 Ų | 45 | 66.6 Ų | 66.6 | 46% | 0.464 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 19.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I818 Q819 Q823 | I818-G821 PolarHBondContact O-N 3.39Å; Q819-G821 PolarHBondContact O-N 3.45Å; Q819-G821 VanDerWaalsContact O-N 3.12Å; G821-Q823 PolarHBondContact O-N 3.26Å; G821-Q823 PolarHBondContact O-NE2 3.07Å |
| 822 | K | 93.2 | Very high | 94.5 | Very high | 71 Ų | 71 | 63.5 Ų | 63.5 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | trans | 56 | 36.2 | 174 | -55.4 | 171.3 | 173.6 | -172.2 | 0 | 113.5 | Y817 A890 | Y817-K822 HydrophobicContact CE1-CB 4.06Å; Y817-K822 HydrophobicContact CE1-CG 4.39Å; Y817-K822 PolarHBondContact O-N 3Å; Y817-K822 VanDerWaalsContact O-N 3.08Å; Y817-K822 VanDerWaalsContact OH-C 3.3Å; Y817-K822 PolarHBondContact OH-O 3.38Å; K822-A890 WeakPolarHBondContact CD-O 3.11Å | ||
| 823 | Q | 92.6 | Very high | 94.6 | Very high | 119 Ų | 119 | 57.9 Ų | 57.9 | 56% | 0.556 | 32% | 0.324 | S | S | * | . | trans | -72.9 | 130.3 | -178.7 | -63.4 | -62.1 | -32.6 | 0 | 0 | 110.7 | Y817 G821 S825 G826 | Y817-Q823 WeakPolarHBondContact CE2-O 3.47Å; Y817-Q823 PolarHBondContact OH-O 3.42Å; G821-Q823 PolarHBondContact O-N 3.26Å; G821-Q823 PolarHBondContact O-NE2 3.07Å; Q823-S825 PolarHBondContact O-N 2.89Å; Q823-G826 PolarHBondContact O-N 3.39Å | ||
| 824 | L | 93.5 | Very high | 94.6 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 24% | 0.236 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -60.2 | -30.6 | -178.7 | -171.4 | 67 | 0 | 0 | 0 | 112.5 | H776 G826 W827 M869 | H776-L824 PolarHBondContact CE1-O 3.27Å; H776-L824 PolarHBondContact ND1-O 2.9Å; L824-G826 PolarHBondContact O-N 2.95Å; L824-W827 HydrophobicContact CD1-CB 4.13Å; L824-W827 HydrophobicContact CD1-CD2 4.42Å; L824-W827 HydrophobicContact CD1-CE3 4.21Å; L824-W827 HydrophobicContact CD1-CG 4.4Å; L824-W827 VanDerWaalsContact O-CB 3.31Å; L824-W827 WeakPolarHBondContact O-CB 3.36Å; L824-W827 PolarHBondContact O-N 3.48Å; L824-M869 HydrophobicContact CD1-CE 4.06Å; L824-M869 HydrophobicContact CD2-CE 4.29Å; L824-M869 HydrophobicContact CD2-SD 4.33Å |
| 825 | S | 92.8 | Very high | 94.8 | Very high | 103 Ų | 103 | 55 Ų | 55 | 72% | 0.72 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -58.3 | -29.3 | 174.1 | 54 | 0 | 0 | 0 | 0 | 113.4 | Q823 | Q823-S825 PolarHBondContact O-N 2.89Š|
| 826 | G | 92.4 | Very high | 94.9 | Very high | 35 Ų | 35 | 49.1 Ų | 49.1 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -85.2 | -9.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q823 L824 S828 | Q823-G826 PolarHBondContact O-N 3.39Å; L824-G826 PolarHBondContact O-N 2.95Å; G826-S828 PolarHBondContact O-N 3.04Å; G826-S828 VanDerWaalsContact O-N 3.15Å |
| 827 | W | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -81.9 | 87.9 | 177.4 | -173.3 | 84.5 | 0 | 0 | 0 | 109.4 | F773 H776 T777 Y817 L824 A832 T835 Y836 M869 W891 W893 | F773-W827 HydrophobicContact CD2-CH2 4.03Å; F773-W827 HydrophobicContact CD2-CZ3 4.09Å; F773-W827 HydrophobicContact CE2-CH2 4.46Å; H776-W827 HydrophobicContact CB-CE3 3.44Å; H776-W827 VanDerWaalsContact CB-CE3 3.44Å; H776-W827 HydrophobicContact CB-CZ3 3.44Å; H776-W827 VanDerWaalsContact CB-CZ3 3.44Å; H776-W827 WeakPolarHBondContact CB-O 3.35Å; H776-W827 AromaticContact CG-CE3 3.8Å; H776-W827 PolarHBondContact ND1-O 3.34Å; T777-W827 HydrophobicContact CG2-CH2 3.64Å; T777-W827 HydrophobicContact CG2-CZ3 3.75Å; Y817-W827 HydrophobicContact CE2-CB 4.17Å; L824-W827 HydrophobicContact CD1-CB 4.13Å; L824-W827 HydrophobicContact CD1-CD2 4.42Å; L824-W827 HydrophobicContact CD1-CE3 4.21Å; L824-W827 HydrophobicContact CD1-CG 4.4Å; L824-W827 VanDerWaalsContact O-CB 3.31Å; L824-W827 WeakPolarHBondContact O-CB 3.36Å; L824-W827 PolarHBondContact O-N 3.48Å; W827-A832 HydrophobicContact CD2-CB 3.65Å; W827-A832 VanDerWaalsContact CE2-CA 3.47Å; W827-A832 VanDerWaalsContact CE2-CB 3.46Å; W827-A832 HydrophobicContact CE3-CB 3.99Å; W827-A832 HydrophobicContact CG-CB 4.19Å; W827-A832 HydrophobicContact CH2-CB 3.91Å; W827-A832 HydrophobicContact CZ2-CB 3.58Å; W827-A832 HydrophobicContact CZ3-CB 4.12Å; W827-T835 PolarHBondContact NE1-OG1 3.16Å; W827-Y836 HydrophobicContact CH2-CE2 4.07Å; W827-Y836 AromaticContact CZ2-CE2 3.9Å; W827-Y836 HydrophobicContact CZ2-CE2 3.9Å; W827-M869 HydrophobicContact CE3-CE 4.31Å; W827-M869 HydrophobicContact CZ3-CE 3.96Å; W827-W891 AromaticContact CD1-CE3 3.89Å; W827-W893 AromaticContact CD2-NE1 3.88Å; W827-W893 AromaticContact CE2-NE1 3.46Å; W827-W893 AromaticContact CH2-CZ2 3.61Å; W827-W893 HydrophobicContact CH2-CZ2 3.61Å; W827-W893 AromaticContact CH2-NE1 3.9Å; W827-W893 AromaticContact CZ2-CE2 3.86Å; W827-W893 AromaticContact CZ2-CZ2 3.59Å; W827-W893 HydrophobicContact CZ2-CZ2 3.59Å; W827-W893 AromaticContact CZ2-NE1 3.51Å; W827-W893 HydrophobicContact CZ3-CZ2 4.46Å; W827-W893 AromaticContact NE1-NE1 3.83Å | ||
| 828 | S | 94.2 | Very high | 95.1 | Very high | 51 Ų | 51 | 44.9 Ų | 44.9 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | trans | -146.1 | 157.1 | -178.4 | 63 | 0 | 0 | 0 | 0 | 112 | G826 W830 V831 A832 | G826-S828 PolarHBondContact O-N 3.04Å; G826-S828 VanDerWaalsContact O-N 3.15Å; S828-W830 PolarHBondContact O-N 3.08Å; S828-W830 VanDerWaalsContact O-N 3.08Å; S828-V831 PolarHBondContact O-N 3.22Å; S828-A832 PolarHBondContact O-N 3.48Å | ||
| 829 | M | 94.3 | Very high | 95.3 | Very high | 90 Ų | 90 | 41.8 Ų | 41.8 | 44% | 0.443 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | 43.9 | -112.3 | 177 | -61.1 | -132.2 | -73.9 | 0 | 0 | 113.1 | H776 E779 V831 A832 L833 | H776-M829 PolarHBondContact O-N 3.12Å; E779-M829 HydrophobicContact CB-CG 3.68Å; E779-M829 HydrophobicContact CB-SD 3.22Å; E779-M829 WeakPolarHBondContact CB-SD 3.44Å; E779-M829 HydrophobicContact CG-SD 3.74Å; M829-V831 PolarHBondContact O-N 3.42Å; M829-A832 PolarHBondContact O-N 3.11Å; M829-L833 WeakPolarHBondContact O-CB 3.35Å; M829-L833 PolarHBondContact O-N 3.29Å |
| 830 | W | 96.5 | Very high | 95.5 | Very high | 64 Ų | 64 | 35.2 Ų | 35.2 | 24% | 0.242 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.9 | -29.3 | -177.9 | -62.6 | 110.7 | 0 | 0 | 0 | 114.7 | W756 H802 A804 M805 R813 S828 L833 E834 | W756-W830 AromaticContact CZ2-CH2 3.75Å; W756-W830 HydrophobicContact CZ2-CH2 3.75Å; W756-W830 AromaticContact CZ2-CZ3 3.89Å; W756-W830 HydrophobicContact CZ2-CZ3 3.89Å; H802-W830 AromaticContact CE1-CH2 3.56Å; H802-W830 AromaticContact CE1-CZ2 3.47Å; H802-W830 VanDerWaalsContact CE1-CZ2 3.47Å; H802-W830 WeakPolarHBondContact CE1-CZ2 3.41Å; H802-W830 AromaticContact ND1-CH2 3.46Å; H802-W830 WeakPolarHBondContact ND1-CH2 3.25Å; H802-W830 AromaticContact ND1-CZ2 3.84Å; A804-W830 HydrophobicContact CB-CD2 3.75Å; A804-W830 HydrophobicContact CB-CE3 3.67Å; A804-W830 HydrophobicContact CB-CG 4.49Å; A804-W830 HydrophobicContact CB-CH2 3.86Å; A804-W830 HydrophobicContact CB-CZ2 3.91Å; A804-W830 HydrophobicContact CB-CZ3 3.74Å; M805-W830 HydrophobicContact CG-CZ3 4.44Å; M805-W830 HydrophobicContact SD-CE3 4.48Å; M805-W830 HydrophobicContact SD-CZ3 4.1Å; R813-W830 PolarHBondContact NE-O 3.44Å; S828-W830 PolarHBondContact O-N 3.08Å; S828-W830 VanDerWaalsContact O-N 3.08Å; W830-L833 HydrophobicContact CE3-CD2 3.81Å; W830-L833 HydrophobicContact CZ3-CD2 3.82Å; W830-E834 PolarHBondContact O-N 3.09Å |
| 831 | V | 96.9 | Very high | 95.8 | Very high | 27 Ų | 27 | 37.6 Ų | 37.6 | 16% | 0.164 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.6 | -44.7 | 174.7 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | Y817 S828 M829 L833 E834 W891 | Y817-V831 HydrophobicContact CD1-CG1 4.46Å; Y817-V831 HydrophobicContact CD2-CG1 3.69Å; Y817-V831 HydrophobicContact CE2-CG1 4.23Å; Y817-V831 HydrophobicContact CG-CG1 3.82Å; S828-V831 PolarHBondContact O-N 3.22Å; M829-V831 PolarHBondContact O-N 3.42Å; V831-L833 VanDerWaalsContact C-N 3.3Å; V831-L833 PolarHBondContact O-N 3.4Å; V831-E834 WeakPolarHBondContact O-CB 3.45Å; V831-E834 PolarHBondContact O-N 2.87Å; V831-W891 HydrophobicContact CG1-CZ3 4.05Å |
| 832 | A | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C780 W827 S828 M829 E834 T835 Y836 | C780-A832 HydrophobicContact CB-CB 4.04Å; C780-A832 VanDerWaalsContact SG-CB 3.51Å; W827-A832 HydrophobicContact CD2-CB 3.65Å; W827-A832 VanDerWaalsContact CE2-CA 3.47Å; W827-A832 VanDerWaalsContact CE2-CB 3.46Å; W827-A832 HydrophobicContact CE3-CB 3.99Å; W827-A832 HydrophobicContact CG-CB 4.19Å; W827-A832 HydrophobicContact CH2-CB 3.91Å; W827-A832 HydrophobicContact CZ2-CB 3.58Å; W827-A832 HydrophobicContact CZ3-CB 4.12Å; S828-A832 PolarHBondContact O-N 3.48Å; M829-A832 PolarHBondContact O-N 3.11Å; A832-E834 PolarHBondContact O-N 3.17Å; A832-T835 WeakPolarHBondContact O-CB 3.11Å; A832-T835 PolarHBondContact O-N 3.21Å; A832-Y836 WeakPolarHBondContact O-CD2 3.33Å |
| 833 | L | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -33.3 | 179.7 | -175.9 | 60.6 | 0 | 0 | 0 | 111.8 | C780 N783 L784 M805 M829 W830 V831 T835 Y836 M837 | C780-L833 WeakPolarHBondContact SG-CA 3.41Å; C780-L833 PolarHBondContact SG-N 2.97Å; N783-L833 HydrophobicContact CB-CD1 4.13Å; N783-L833 HydrophobicContact CB-CD2 3.7Å; L784-L833 HydrophobicContact CD2-CD1 3.89Å; L784-L833 HydrophobicContact CG-CD1 4.48Å; M805-L833 HydrophobicContact SD-CD2 3.95Å; M829-L833 WeakPolarHBondContact O-CB 3.35Å; M829-L833 PolarHBondContact O-N 3.29Å; W830-L833 HydrophobicContact CE3-CD2 3.81Å; W830-L833 HydrophobicContact CZ3-CD2 3.82Å; V831-L833 VanDerWaalsContact C-N 3.3Å; V831-L833 PolarHBondContact O-N 3.4Å; L833-T835 VanDerWaalsContact C-N 3.29Å; L833-T835 PolarHBondContact O-N 3.42Å; L833-Y836 PolarHBondContact O-N 3.19Å; L833-M837 HydrophobicContact CD1-CE 4Å; L833-M837 HydrophobicContact CD1-CG 4.42Å; L833-M837 HydrophobicContact CG-CG 4.07Å; L833-M837 WeakPolarHBondContact O-CG 3.16Å; L833-M837 PolarHBondContact O-N 2.82Å |
| 834 | E | 97.1 | Very high | 96.5 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -39.9 | 179.5 | -169.8 | 57.3 | -137.7 | 0 | 0 | 112.1 | R810 W830 V831 A832 Y836 M837 Q838 W891 | R810-E834 WeakPolarHBondContact CB-OE2 3.48Å; R810-E834 VanDerWaalsContact CG-OE2 3.29Å; R810-E834 WeakPolarHBondContact CG-OE2 2.99Å; R810-E834 IonicContact CZ-OE1 3.28Å; R810-E834 IonicContact CZ-OE2 2.81Å; R810-E834 IonicContact NE-OE1 2.65Å; R810-E834 PolarHBondContact NE-OE1 2.93Å; R810-E834 IonicContact NE-OE2 2.74Å; R810-E834 PolarHBondContact NE-OE2 2.81Å; R810-E834 IonicContact NH2-OE1 2.81Å; R810-E834 PolarHBondContact NH2-OE1 3.37Å; R810-E834 IonicContact NH2-OE2 3.4Å; W830-E834 PolarHBondContact O-N 3.09Å; V831-E834 WeakPolarHBondContact O-CB 3.45Å; V831-E834 PolarHBondContact O-N 2.87Å; A832-E834 PolarHBondContact O-N 3.17Å; E834-Y836 VanDerWaalsContact C-N 3.27Å; E834-Y836 PolarHBondContact O-N 3.21Å; E834-M837 PolarHBondContact O-N 3.19Å; E834-Q838 WeakPolarHBondContact O-CG 3.17Å; E834-Q838 PolarHBondContact O-N 2.88Å; E834-W891 HydrophobicContact CB-CH2 3.74Å; E834-W891 HydrophobicContact CB-CZ2 4.06Å; E834-W891 HydrophobicContact CG-CH2 3.7Å; E834-W891 HydrophobicContact CG-CZ2 3.79Å |
| 835 | T | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.2 | -44.9 | 174.3 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | W827 A832 L833 L839 F887 F888 W891 | W827-T835 PolarHBondContact NE1-OG1 3.16Å; A832-T835 WeakPolarHBondContact O-CB 3.11Å; A832-T835 PolarHBondContact O-N 3.21Å; L833-T835 VanDerWaalsContact C-N 3.29Å; L833-T835 PolarHBondContact O-N 3.42Å; T835-L839 WeakPolarHBondContact O-CG 3.15Å; T835-L839 PolarHBondContact O-N 2.86Å; T835-F887 HydrophobicContact CG2-CE1 3.68Å; T835-F887 HydrophobicContact CG2-CZ 3.94Å; T835-F888 HydrophobicContact CG2-CD1 4.28Å; T835-F888 HydrophobicContact CG2-CE1 4.13Å; T835-W891 HydrophobicContact CG2-CG 4.05Å |
| 836 | Y | 97.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74 | -34.4 | 179.2 | -58.8 | -84.7 | 0 | 0 | 0 | 112.7 | T781 L784 W827 A832 L833 E834 L839 Q840 F848 Y872 | T781-Y836 HydrophobicContact CG2-CE1 4.22Å; T781-Y836 HydrophobicContact CG2-CE2 3.95Å; L784-Y836 HydrophobicContact CD1-CD1 4.49Å; L784-Y836 HydrophobicContact CD2-CG 4.39Å; W827-Y836 HydrophobicContact CH2-CE2 4.07Å; W827-Y836 AromaticContact CZ2-CE2 3.9Å; W827-Y836 HydrophobicContact CZ2-CE2 3.9Å; A832-Y836 WeakPolarHBondContact O-CD2 3.33Å; L833-Y836 PolarHBondContact O-N 3.19Å; E834-Y836 VanDerWaalsContact C-N 3.27Å; E834-Y836 PolarHBondContact O-N 3.21Å; Y836-L839 WeakPolarHBondContact O-CB 3.47Å; Y836-L839 PolarHBondContact O-N 3.44Å; Y836-Q840 WeakPolarHBondContact O-CB 3.49Å; Y836-Q840 PolarHBondContact O-N 2.9Å; Y836-F848 AromaticContact CD1-CE1 3.96Å; Y836-F848 HydrophobicContact CD1-CE1 3.96Å; Y836-F848 HydrophobicContact CD1-CZ 4.33Å; Y836-F848 WeakPolarHBondContact O-CZ 3.39Å; Y836-Y872 HydrophobicContact CE1-CE1 4.1Å; Y836-Y872 AromaticContact CE1-CZ 3.79Å; Y836-Y872 WeakPolarHBondContact CE1-OH 3.5Å |
| 837 | M | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | 176 | -66.2 | -64.9 | 96.6 | 0 | 0 | 112.2 | L784 V787 M805 L833 E834 Q840 E841 W845 | L784-M837 HydrophobicContact CD2-CE 3.36Å; V787-M837 HydrophobicContact CB-SD 4.5Å; V787-M837 HydrophobicContact CG1-SD 4.22Å; V787-M837 HydrophobicContact CG2-CE 4.48Å; V787-M837 HydrophobicContact CG2-SD 4.04Å; M805-M837 HydrophobicContact CE-CG 3.85Å; M805-M837 HydrophobicContact CE-SD 3.63Å; L833-M837 HydrophobicContact CD1-CE 4Å; L833-M837 HydrophobicContact CD1-CG 4.42Å; L833-M837 HydrophobicContact CG-CG 4.07Å; L833-M837 WeakPolarHBondContact O-CG 3.16Å; L833-M837 PolarHBondContact O-N 2.82Å; E834-M837 PolarHBondContact O-N 3.19Å; M837-Q840 CarbonylContact O-C 3.52Å; M837-Q840 WeakPolarHBondContact O-CB 3.34Å; M837-Q840 PolarHBondContact O-N 3.34Å; M837-E841 WeakPolarHBondContact O-CB 3.38Å; M837-E841 VanDerWaalsContact O-CG 3.28Å; M837-E841 WeakPolarHBondContact O-CG 3.45Å; M837-E841 PolarHBondContact O-N 3.06Å; M837-W845 HydrophobicContact CE-CH2 4.12Å |
| 838 | Q | 97.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 32 Ų | 32 | 3% | 0.033 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 174.7 | -70.4 | 175.8 | -4.1 | 0 | 0 | 112.1 | M814 E834 Q840 E841 K842 F887 P913 | M814-Q838 PolarHBondContact SD-NE2 2.94Å; M814-Q838 VanDerWaalsContact SD-NE2 3.37Å; E834-Q838 WeakPolarHBondContact O-CG 3.17Å; E834-Q838 PolarHBondContact O-N 2.88Å; Q838-Q840 VanDerWaalsContact C-N 3.32Å; Q838-E841 PolarHBondContact O-N 3.26Å; Q838-K842 WeakPolarHBondContact O-CB 3.28Å; Q838-K842 PolarHBondContact O-N 2.81Å; Q838-K842 VanDerWaalsContact O-N 3.1Å; Q838-F887 HydrophobicContact CB-CE2 4.22Å; Q838-F887 HydrophobicContact CB-CZ 3.98Å; Q838-P913 HydrophobicContact CB-CG 4.32Å; Q838-P913 HydrophobicContact CG-CB 4.33Å; Q838-P913 HydrophobicContact CG-CG 4.14Å |
| 839 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 170.6 | -69.1 | 171.2 | 0 | 0 | 0 | 111.1 | T835 Y836 K842 F843 F848 F876 L884 F887 F888 W909 | T835-L839 WeakPolarHBondContact O-CG 3.15Å; T835-L839 PolarHBondContact O-N 2.86Å; Y836-L839 WeakPolarHBondContact O-CB 3.47Å; Y836-L839 PolarHBondContact O-N 3.44Å; L839-K842 PolarHBondContact O-N 3.17Å; L839-F843 HydrophobicContact CD2-CD2 4.19Å; L839-F843 HydrophobicContact CD2-CE2 4.01Å; L839-F843 WeakPolarHBondContact O-CB 3.5Å; L839-F843 WeakPolarHBondContact O-CD2 3.39Å; L839-F843 PolarHBondContact O-N 2.74Å; L839-F848 HydrophobicContact CB-CE2 4Å; L839-F848 HydrophobicContact CB-CZ 3.97Å; L839-F876 HydrophobicContact CB-CE1 4.36Å; L839-F876 HydrophobicContact CB-CE2 4.39Å; L839-F876 HydrophobicContact CB-CZ 3.87Å; L839-F876 HydrophobicContact CD1-CD2 4.2Å; L839-F876 HydrophobicContact CD1-CE2 3.95Å; L839-F876 HydrophobicContact CD1-CZ 4.14Å; L839-F876 HydrophobicContact CD2-CD1 4.39Å; L839-F876 HydrophobicContact CD2-CE1 4.08Å; L839-F876 HydrophobicContact CD2-CZ 4.34Å; L839-F876 HydrophobicContact CG-CZ 4.34Å; L839-L884 HydrophobicContact CD2-CD1 3.93Å; L839-F887 HydrophobicContact CD1-CE1 4.23Å; L839-F887 HydrophobicContact CD2-CD1 4.04Å; L839-F887 HydrophobicContact CD2-CE1 3.73Å; L839-F887 HydrophobicContact CD2-CZ 4.5Å; L839-F887 HydrophobicContact CG-CE1 3.75Å; L839-F887 HydrophobicContact CG-CZ 4.33Å; L839-F888 HydrophobicContact CD1-CE1 4.05Å; L839-F888 HydrophobicContact CD1-CZ 3.84Å; L839-F888 HydrophobicContact CD2-CZ 4.48Å; L839-W909 HydrophobicContact CD2-CZ3 4.19Å |
| 840 | Q | 97.8 | Very high | 97.7 | Very high | 20 Ų | 20 | 33.3 Ų | 33.3 | 9% | 0.093 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.6 | -39.1 | 179.2 | -173.9 | -76.1 | -29.1 | 0 | 0 | 111.5 | R798 Y836 M837 Q838 K842 G844 W845 F848 | R798-Q840 VanDerWaalsContact CZ-OE1 3.24Å; R798-Q840 VanDerWaalsContact NH2-CD 3.26Å; Y836-Q840 WeakPolarHBondContact O-CB 3.49Å; Y836-Q840 PolarHBondContact O-N 2.9Å; M837-Q840 CarbonylContact O-C 3.52Å; M837-Q840 WeakPolarHBondContact O-CB 3.34Å; M837-Q840 PolarHBondContact O-N 3.34Å; Q838-Q840 VanDerWaalsContact C-N 3.32Å; Q840-K842 VanDerWaalsContact C-N 3.34Å; Q840-G844 WeakPolarHBondContact O-CA 3.47Å; Q840-G844 PolarHBondContact O-N 3.32Å; Q840-W845 HydrophobicContact CG-CD2 3.61Å; Q840-W845 HydrophobicContact CG-CE3 3.83Å; Q840-W845 HydrophobicContact CG-CG 4.23Å; Q840-W845 HydrophobicContact CG-CH2 3.98Å; Q840-W845 HydrophobicContact CG-CZ2 3.75Å; Q840-W845 HydrophobicContact CG-CZ3 4.01Å; Q840-W845 VanDerWaalsContact NE2-NE1 3.11Å; Q840-F848 HydrophobicContact CB-CD2 4.38Å; Q840-F848 HydrophobicContact CB-CE2 3.72Å; Q840-F848 HydrophobicContact CB-CZ 4.37Å; Q840-F848 HydrophobicContact CG-CE2 4.46Å |
| 841 | E | 96.4 | Very high | 97.7 | Very high | 102 Ų | 102 | 30.2 Ų | 30.2 | 48% | 0.477 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -66.5 | -36.3 | 177.7 | -75.9 | 164.8 | 171 | 0 | 0 | 112.2 | R798 R810 M837 Q838 | R798-E841 IonicContact NH1-OE1 3.5Å; R810-E841 IonicContact CZ-OE1 3.67Å; R810-E841 IonicContact NH1-OE1 2.83Å; R810-E841 PolarHBondContact NH1-OE1 3.18Å; R810-E841 VanDerWaalsContact NH2-CD 3.3Å; R810-E841 IonicContact NH2-OE1 3.69Å; R810-E841 PolarHBondContact NH2-OE1 2.65Å; R810-E841 IonicContact NH2-OE2 3.18Å; R810-E841 PolarHBondContact NH2-OE2 2.83Å; M837-E841 WeakPolarHBondContact O-CB 3.38Å; M837-E841 VanDerWaalsContact O-CG 3.28Å; M837-E841 WeakPolarHBondContact O-CG 3.45Å; M837-E841 PolarHBondContact O-N 3.06Å; Q838-E841 PolarHBondContact O-N 3.26Å |
| 842 | K | 97.8 | Very high | 97.8 | Very high | 93 Ų | 93 | 29.1 Ų | 29.1 | 40% | 0.404 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -78.6 | -42.9 | 178.9 | -177.4 | 66.1 | 172 | -166.9 | 0 | 113.1 | Q838 L839 Q840 W909 | Q838-K842 WeakPolarHBondContact O-CB 3.28Å; Q838-K842 PolarHBondContact O-N 2.81Å; Q838-K842 VanDerWaalsContact O-N 3.1Å; L839-K842 PolarHBondContact O-N 3.17Å; Q840-K842 VanDerWaalsContact C-N 3.34Å; K842-W909 HydrophobicContact CB-CH2 3.71Å; K842-W909 HydrophobicContact CB-CZ2 3.79Å; K842-W909 HydrophobicContact CD-CZ2 3.78Å; K842-W909 HydrophobicContact CG-CH2 3.87Å; K842-W909 HydrophobicContact CG-CZ2 3.61Å; K842-W909 HydrophobicContact CG-CZ3 4.5Å |
| 843 | F | 98.1 | Very high | 97.8 | Very high | 42 Ų | 42 | 30.8 Ų | 30.8 | 18% | 0.184 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -116.3 | -7.8 | -166.6 | -56.3 | -68.5 | 0 | 0 | 0 | 114.5 | L839 A847 F876 V880 M882 L884 W909 | L839-F843 HydrophobicContact CD2-CD2 4.19Å; L839-F843 HydrophobicContact CD2-CE2 4.01Å; L839-F843 WeakPolarHBondContact O-CB 3.5Å; L839-F843 WeakPolarHBondContact O-CD2 3.39Å; L839-F843 PolarHBondContact O-N 2.74Å; F843-A847 HydrophobicContact CB-CB 3.63Å; F843-F876 AromaticContact CD2-CE1 3.88Å; F843-F876 HydrophobicContact CD2-CE1 3.88Å; F843-F876 HydrophobicContact CE2-CE1 4.49Å; F843-F876 HydrophobicContact CG-CE1 4.42Å; F843-V880 HydrophobicContact CB-CG1 4Å; F843-V880 HydrophobicContact CD1-CB 3.73Å; F843-V880 HydrophobicContact CD1-CG1 3.81Å; F843-V880 HydrophobicContact CD1-CG2 4.11Å; F843-V880 HydrophobicContact CD2-CG1 4.25Å; F843-V880 HydrophobicContact CE1-CB 3.84Å; F843-V880 HydrophobicContact CE1-CG1 4.35Å; F843-V880 HydrophobicContact CE1-CG2 3.77Å; F843-V880 HydrophobicContact CE2-CG2 4.24Å; F843-V880 HydrophobicContact CG-CB 4.17Å; F843-V880 HydrophobicContact CG-CG1 3.76Å; F843-V880 HydrophobicContact CG-CG2 4.49Å; F843-V880 HydrophobicContact CZ-CB 4.39Å; F843-V880 HydrophobicContact CZ-CG2 3.85Å; F843-M882 HydrophobicContact CE1-CE 3.86Å; F843-M882 HydrophobicContact CE1-SD 3.93Å; F843-M882 HydrophobicContact CZ-CE 4.29Å; F843-M882 HydrophobicContact CZ-SD 3.73Å; F843-L884 HydrophobicContact CE2-CD1 4.37Å; F843-L884 HydrophobicContact CE2-CD2 3.76Å; F843-L884 HydrophobicContact CZ-CD2 3.7Å; F843-W909 HydrophobicContact CE2-CE3 4.22Å; F843-W909 HydrophobicContact CE2-CH2 4.5Å; F843-W909 HydrophobicContact CE2-CZ3 4.03Å; F843-W909 HydrophobicContact CZ-CE3 4.35Å |
| 844 | G | 97.9 | Very high | 97.7 | Very high | 27 Ų | 27 | 32.1 Ų | 32.1 | 28% | 0.278 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | 74.8 | 173.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q840 D846 A847 | Q840-G844 WeakPolarHBondContact O-CA 3.47Å; Q840-G844 PolarHBondContact O-N 3.32Å; G844-D846 VanDerWaalsContact C-N 3.31Å; G844-D846 PolarHBondContact O-N 3.34Å; G844-A847 PolarHBondContact O-N 3.21Å |
| 845 | W | 98 | Very high | 97.7 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.7 | -28.9 | -180 | -70.9 | 119.2 | 0 | 0 | 0 | 113.3 | L704 L784 V787 Y788 E791 M837 Q840 A847 F848 K849 | L704-W845 HydrophobicContact CD1-CE3 3.74Å; L704-W845 HydrophobicContact CD1-CZ3 4.07Å; L704-W845 HydrophobicContact CD2-CZ3 4.24Å; L784-W845 HydrophobicContact CB-CZ3 4.4Å; L784-W845 HydrophobicContact CD2-CZ3 4.49Å; L784-W845 WeakPolarHBondContact O-CH2 3.23Å; V787-W845 HydrophobicContact CB-CH2 4.21Å; V787-W845 HydrophobicContact CB-CZ2 4.11Å; V787-W845 HydrophobicContact CG1-CH2 4.32Å; V787-W845 HydrophobicContact CG1-CZ2 3.79Å; Y788-W845 HydrophobicContact CD2-CB 4.13Å; Y788-W845 AromaticContact CD2-CD1 3.74Å; Y788-W845 AromaticContact CD2-CD2 3.44Å; Y788-W845 HydrophobicContact CD2-CD2 3.44Å; Y788-W845 VanDerWaalsContact CD2-CD2 3.44Å; Y788-W845 AromaticContact CD2-CE2 3.64Å; Y788-W845 AromaticContact CD2-CE3 3.92Å; Y788-W845 HydrophobicContact CD2-CE3 3.92Å; Y788-W845 AromaticContact CD2-CG 3.53Å; Y788-W845 HydrophobicContact CD2-CG 3.53Å; Y788-W845 HydrophobicContact CD2-CZ2 4.26Å; Y788-W845 HydrophobicContact CD2-CZ3 4.49Å; Y788-W845 AromaticContact CD2-NE1 3.8Å; Y788-W845 HydrophobicContact CE2-CB 3.8Å; Y788-W845 AromaticContact CE2-CD1 3.92Å; Y788-W845 HydrophobicContact CE2-CD2 4.07Å; Y788-W845 AromaticContact CE2-CG 3.67Å; Y788-W845 HydrophobicContact CE2-CG 3.67Å; Y788-W845 HydrophobicContact CG-CD2 4.41Å; E791-W845 PolarHBondContact OE2-NE1 3.28Å; M837-W845 HydrophobicContact CE-CH2 4.12Å; Q840-W845 HydrophobicContact CG-CD2 3.61Å; Q840-W845 HydrophobicContact CG-CE3 3.83Å; Q840-W845 HydrophobicContact CG-CG 4.23Å; Q840-W845 HydrophobicContact CG-CH2 3.98Å; Q840-W845 HydrophobicContact CG-CZ2 3.75Å; Q840-W845 HydrophobicContact CG-CZ3 4.01Å; Q840-W845 VanDerWaalsContact NE2-NE1 3.11Å; W845-A847 PolarHBondContact O-N 3.26Å; W845-F848 HydrophobicContact CE3-CD2 4.47Å; W845-F848 HydrophobicContact CE3-CG 4.48Å; W845-F848 WeakPolarHBondContact O-CB 3.2Å; W845-F848 PolarHBondContact O-N 3.26Å; W845-F848 VanDerWaalsContact O-N 3.11Å; W845-K849 WeakPolarHBondContact O-CG 3.29Å; W845-K849 PolarHBondContact O-N 2.91Å; W845-K849 VanDerWaalsContact O-N 3.09Å |
| 846 | D | 97.9 | Very high | 97.5 | Very high | 105 Ų | 105 | 34.9 Ų | 34.9 | 56% | 0.561 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -63 | -30.3 | 178.2 | -72.3 | -25.3 | 0 | 0 | 0 | 112.8 | G844 K850 | G844-D846 VanDerWaalsContact C-N 3.31Å; G844-D846 PolarHBondContact O-N 3.34Å; D846-K850 VanDerWaalsContact O-CG 3.31Å; D846-K850 WeakPolarHBondContact O-CG 3.34Å; D846-K850 PolarHBondContact O-N 3.32Å |
| 847 | A | 98.1 | Very high | 97.3 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | F843 G844 W845 K849 K850 V851 F876 V880 | F843-A847 HydrophobicContact CB-CB 3.63Å; G844-A847 PolarHBondContact O-N 3.21Å; W845-A847 PolarHBondContact O-N 3.26Å; A847-K849 PolarHBondContact O-N 3.11Å; A847-K850 PolarHBondContact O-N 3.05Å; A847-V851 WeakPolarHBondContact O-CG2 3.5Å; A847-V851 PolarHBondContact O-N 2.96Å; A847-F876 HydrophobicContact CB-CE1 4.35Å; A847-F876 HydrophobicContact CB-CZ 4.27Å; A847-V880 HydrophobicContact CB-CG1 3.86Å |
| 848 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 176.7 | -82.1 | -98.2 | 0 | 0 | 0 | 112.2 | L704 L784 Y836 L839 Q840 W845 K850 V851 F852 F876 | L704-F848 HydrophobicContact CD1-CB 4.18Å; L784-F848 HydrophobicContact CD1-CD1 4.12Å; L784-F848 HydrophobicContact CD1-CE1 3.89Å; L784-F848 HydrophobicContact CD2-CE1 4.3Å; Y836-F848 AromaticContact CD1-CE1 3.96Å; Y836-F848 HydrophobicContact CD1-CE1 3.96Å; Y836-F848 HydrophobicContact CD1-CZ 4.33Å; Y836-F848 WeakPolarHBondContact O-CZ 3.39Å; L839-F848 HydrophobicContact CB-CE2 4Å; L839-F848 HydrophobicContact CB-CZ 3.97Å; Q840-F848 HydrophobicContact CB-CD2 4.38Å; Q840-F848 HydrophobicContact CB-CE2 3.72Å; Q840-F848 HydrophobicContact CB-CZ 4.37Å; Q840-F848 HydrophobicContact CG-CE2 4.46Å; W845-F848 HydrophobicContact CE3-CD2 4.47Å; W845-F848 HydrophobicContact CE3-CG 4.48Å; W845-F848 WeakPolarHBondContact O-CB 3.2Å; W845-F848 PolarHBondContact O-N 3.26Å; W845-F848 VanDerWaalsContact O-N 3.11Å; F848-K850 VanDerWaalsContact C-N 3.31Å; F848-K850 PolarHBondContact O-N 3.28Å; F848-V851 PolarHBondContact O-N 3.22Å; F848-F852 HydrophobicContact CD1-CE1 4.49Å; F848-F852 HydrophobicContact CD1-CZ 4.08Å; F848-F852 WeakPolarHBondContact O-CG 3.38Å; F848-F852 PolarHBondContact O-N 2.97Å; F848-F876 HydrophobicContact CD1-CE2 4.42Å; F848-F876 HydrophobicContact CD2-CE2 4.31Å; F848-F876 HydrophobicContact CD2-CZ 4.15Å; F848-F876 HydrophobicContact CE1-CE2 4.19Å; F848-F876 HydrophobicContact CE2-CE2 4.04Å; F848-F876 AromaticContact CE2-CZ 3.85Å; F848-F876 HydrophobicContact CE2-CZ 3.85Å; F848-F876 HydrophobicContact CG-CE2 4.49Å; F848-F876 AromaticContact CZ-CE2 3.99Å; F848-F876 HydrophobicContact CZ-CE2 3.99Å; F848-F876 HydrophobicContact CZ-CZ 4.22Å |
| 849 | K | 98.3 | Very high | 96.7 | Very high | 34 Ų | 34 | 53 Ų | 53 | 15% | 0.148 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 176.7 | -64.5 | 178.9 | -174.7 | -173.7 | 0 | 111.7 | D703 L704 A706 Y788 W845 A847 F852 A853 | D703-K849 WeakPolarHBondContact OD1-CE 3.38Å; D703-K849 IonicContact OD1-NZ 3.27Å; D703-K849 PolarHBondContact OD1-NZ 2.93Å; D703-K849 WeakPolarHBondContact OD2-CE 3.3Å; D703-K849 IonicContact OD2-NZ 3.03Å; D703-K849 PolarHBondContact OD2-NZ 3.42Å; L704-K849 HydrophobicContact CD1-CG 4.46Å; A706-K849 WeakPolarHBondContact CB-O 3.21Å; Y788-K849 WeakPolarHBondContact OH-CE 3.39Å; Y788-K849 PolarHBondContact OH-NZ 3.41Å; Y788-K849 VanDerWaalsContact OH-NZ 3.1Å; W845-K849 WeakPolarHBondContact O-CG 3.29Å; W845-K849 PolarHBondContact O-N 2.91Å; W845-K849 VanDerWaalsContact O-N 3.09Å; A847-K849 PolarHBondContact O-N 3.11Å; K849-F852 PolarHBondContact O-N 3.33Å; K849-A853 VanDerWaalsContact O-CB 3.24Å; K849-A853 WeakPolarHBondContact O-CB 3.27Å; K849-A853 PolarHBondContact O-N 3.01Å |
| 850 | K | 98.3 | Very high | 96.2 | Very high | 134 Ų | 134 | 59.9 Ų | 59.9 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.6 | -40.8 | 176.9 | -72.6 | 172 | -177.8 | 175.3 | 0 | 112.2 | D846 A847 F848 A853 A854 T879 | D846-K850 VanDerWaalsContact O-CG 3.31Å; D846-K850 WeakPolarHBondContact O-CG 3.34Å; D846-K850 PolarHBondContact O-N 3.32Å; A847-K850 PolarHBondContact O-N 3.05Å; F848-K850 VanDerWaalsContact C-N 3.31Å; F848-K850 PolarHBondContact O-N 3.28Å; K850-A853 PolarHBondContact O-N 3.19Å; K850-A854 PolarHBondContact O-N 3.48Å; K850-T879 HydrophobicContact CB-CG2 3.46Å; K850-T879 VanDerWaalsContact CB-CG2 3.46Å; K850-T879 HydrophobicContact CD-CG2 4.26Å |
| 851 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -50.7 | 175.7 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | A847 F848 A853 A854 Y855 Y872 T875 F876 T879 | A847-V851 WeakPolarHBondContact O-CG2 3.5Å; A847-V851 PolarHBondContact O-N 2.96Å; F848-V851 PolarHBondContact O-N 3.22Å; V851-A853 VanDerWaalsContact C-N 3.31Å; V851-A853 PolarHBondContact O-N 3.02Å; V851-A854 WeakPolarHBondContact O-CB 3.4Å; V851-A854 PolarHBondContact O-N 3.14Å; V851-A854 VanDerWaalsContact O-N 3.08Å; V851-Y855 HydrophobicContact CG1-CD2 3.99Å; V851-Y855 HydrophobicContact CG1-CE2 3.91Å; V851-Y855 WeakPolarHBondContact O-CD2 3.35Å; V851-Y855 PolarHBondContact O-N 3.42Å; V851-Y855 VanDerWaalsContact O-N 3.12Å; V851-Y872 HydrophobicContact CG1-CE2 4.26Å; V851-T875 HydrophobicContact CG1-CG2 4.27Å; V851-F876 HydrophobicContact CB-CD2 4.43Å; V851-F876 HydrophobicContact CG1-CD2 4.27Å; V851-F876 HydrophobicContact CG2-CB 4.24Å; V851-F876 HydrophobicContact CG2-CD1 4.44Å; V851-F876 HydrophobicContact CG2-CD2 3.68Å; V851-F876 HydrophobicContact CG2-CE2 4.08Å; V851-F876 HydrophobicContact CG2-CG 3.88Å; V851-T879 HydrophobicContact CG2-CG2 3.86Å |
| 852 | F | 97.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.2 | -38 | 178.5 | -64.2 | -12.8 | 0 | 0 | 0 | 111.9 | L704 A706 W771 L784 W785 F848 K849 A854 Y855 H856 | L704-F852 HydrophobicContact CG-CE2 4.38Å; L704-F852 WeakPolarHBondContact O-CD2 3.31Å; A706-F852 HydrophobicContact CB-CB 4.25Å; W771-F852 HydrophobicContact CD2-CD1 4.31Å; W771-F852 HydrophobicContact CD2-CE1 4.46Å; W771-F852 HydrophobicContact CE3-CD1 4.16Å; W771-F852 HydrophobicContact CH2-CB 3.98Å; W771-F852 HydrophobicContact CH2-CD1 4.08Å; W771-F852 AromaticContact CH2-CG 3.97Å; W771-F852 HydrophobicContact CH2-CG 3.97Å; W771-F852 HydrophobicContact CZ2-CD1 4.27Å; W771-F852 HydrophobicContact CZ2-CG 4.35Å; W771-F852 HydrophobicContact CZ3-CB 4.08Å; W771-F852 HydrophobicContact CZ3-CD1 4.05Å; W771-F852 HydrophobicContact CZ3-CG 4.23Å; L784-F852 HydrophobicContact CD1-CZ 4.08Å; W785-F852 AromaticContact CH2-CE2 3.8Å; W785-F852 HydrophobicContact CH2-CE2 3.8Å; W785-F852 HydrophobicContact CH2-CZ 4.29Å; W785-F852 HydrophobicContact CZ2-CD2 4.46Å; W785-F852 HydrophobicContact CZ2-CE2 4.02Å; F848-F852 HydrophobicContact CD1-CE1 4.49Å; F848-F852 HydrophobicContact CD1-CZ 4.08Å; F848-F852 WeakPolarHBondContact O-CG 3.38Å; F848-F852 PolarHBondContact O-N 2.97Å; K849-F852 PolarHBondContact O-N 3.33Å; F852-A854 VanDerWaalsContact C-N 3.31Å; F852-A854 PolarHBondContact O-N 2.96Å; F852-Y855 PolarHBondContact O-N 3.35Å; F852-H856 PolarHBondContact O-CD2 3.36Å; F852-H856 PolarHBondContact O-N 3.41Å |
| 853 | A | 97.3 | Very high | 95.7 | Very high | 34 Ų | 34 | 63.9 Ų | 63.9 | 28% | 0.281 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.6 | -37.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A706 K849 K850 V851 H856 | A706-A853 HydrophobicContact CB-CB 3.89Å; K849-A853 VanDerWaalsContact O-CB 3.24Å; K849-A853 WeakPolarHBondContact O-CB 3.27Å; K849-A853 PolarHBondContact O-N 3.01Å; K850-A853 PolarHBondContact O-N 3.19Å; V851-A853 VanDerWaalsContact C-N 3.31Å; V851-A853 PolarHBondContact O-N 3.02Å; A853-H856 PolarHBondContact O-N 2.88Å |
| 854 | A | 96.5 | Very high | 95.5 | Very high | 30 Ų | 30 | 67.6 Ų | 67.6 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | K850 V851 F852 H856 K857 M858 T875 | K850-A854 PolarHBondContact O-N 3.48Å; V851-A854 WeakPolarHBondContact O-CB 3.4Å; V851-A854 PolarHBondContact O-N 3.14Å; V851-A854 VanDerWaalsContact O-N 3.08Å; F852-A854 VanDerWaalsContact C-N 3.31Å; F852-A854 PolarHBondContact O-N 2.96Å; A854-H856 VanDerWaalsContact C-N 3.29Å; A854-H856 PolarHBondContact O-N 2.7Å; A854-K857 WeakPolarHBondContact O-CB 3.49Å; A854-K857 PolarHBondContact O-N 2.7Å; A854-M858 HydrophobicContact CB-CE 4.35Å; A854-M858 PolarHBondContact O-N 2.86Å; A854-T875 HydrophobicContact CB-CG2 4.05Å |
| 855 | Y | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -25.1 | 176.3 | -85.5 | -79 | 0 | 0 | 0 | 114.3 | R768 C770 W771 V851 F852 K857 M858 L871 Y872 T875 | R768-Y855 PolarHBondContact NH1-O 3.45Å; R768-Y855 VanDerWaalsContact NH1-O 3.16Å; C770-Y855 HydrophobicContact CB-CD1 4.04Å; C770-Y855 HydrophobicContact CB-CE1 4.35Å; C770-Y855 WeakPolarHBondContact O-CE1 3.21Å; W771-Y855 HydrophobicContact CB-CE1 4.26Å; W771-Y855 HydrophobicContact CB-CE2 4.23Å; W771-Y855 VanDerWaalsContact CE3-CB 3.42Å; W771-Y855 HydrophobicContact CE3-CD1 4.09Å; W771-Y855 AromaticContact CE3-CD2 3.77Å; W771-Y855 HydrophobicContact CE3-CD2 3.77Å; W771-Y855 AromaticContact CE3-CG 3.52Å; W771-Y855 HydrophobicContact CE3-CG 3.52Å; W771-Y855 VanDerWaalsContact CZ3-CB 3.43Å; W771-Y855 HydrophobicContact CZ3-CD2 4.41Å; W771-Y855 HydrophobicContact CZ3-CG 4.07Å; V851-Y855 HydrophobicContact CG1-CD2 3.99Å; V851-Y855 HydrophobicContact CG1-CE2 3.91Å; V851-Y855 WeakPolarHBondContact O-CD2 3.35Å; V851-Y855 PolarHBondContact O-N 3.42Å; V851-Y855 VanDerWaalsContact O-N 3.12Å; F852-Y855 PolarHBondContact O-N 3.35Å; Y855-K857 PolarHBondContact O-N 3.05Å; Y855-M858 HydrophobicContact CD1-CE 4.46Å; Y855-M858 HydrophobicContact CD1-SD 3.62Å; Y855-M858 HydrophobicContact CE1-SD 3.92Å; Y855-M858 HydrophobicContact CG-SD 4.16Å; Y855-M858 PolarHBondContact O-N 3.44Å; Y855-L871 HydrophobicContact CE1-CD2 4.18Å; Y855-L871 HydrophobicContact CE1-CG 4.47Å; Y855-Y872 AromaticContact CE2-CD2 3.97Å; Y855-Y872 HydrophobicContact CE2-CD2 3.97Å; Y855-Y872 HydrophobicContact CE2-CE2 4.43Å; Y855-Y872 WeakPolarHBondContact OH-CA 3.32Å; Y855-Y872 WeakPolarHBondContact OH-CB 3.34Å; Y855-Y872 PolarHBondContact OH-N 2.88Å; Y855-T875 HydrophobicContact CD2-CG2 4.26Å; Y855-T875 HydrophobicContact CE2-CG2 3.95Å |
| 856 | H | 93.9 | Very high | 95.3 | Very high | 65 Ų | 65 | 72.1 Ų | 72.1 | 30% | 0.301 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67 | -21.3 | 170.7 | -73.3 | -56 | 0 | 0 | 0 | 112.9 | A705 A706 R768 F852 A853 A854 | A705-H856 PolarHBondContact O-NE2 3.18Å; A706-H856 PolarHBondContact O-CD2 3.23Å; R768-H856 PolarHBondContact NH1-ND1 2.9Å; F852-H856 PolarHBondContact O-CD2 3.36Å; F852-H856 PolarHBondContact O-N 3.41Å; A853-H856 PolarHBondContact O-N 2.88Å; A854-H856 VanDerWaalsContact C-N 3.29Å; A854-H856 PolarHBondContact O-N 2.7Å |
| 857 | K | 93.8 | Very high | 95.3 | Very high | 175 Ų | 175 | 67.8 Ų | 67.8 | 76% | 0.761 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -6 | 178.2 | -59.4 | 176.7 | -177 | 179 | 0 | 113.4 | A854 Y855 | A854-K857 WeakPolarHBondContact O-CB 3.49Å; A854-K857 PolarHBondContact O-N 2.7Å; Y855-K857 PolarHBondContact O-N 3.05Å |
| 858 | M | 94.1 | Very high | 95.3 | Very high | 51 Ų | 51 | 68.4 Ų | 68.4 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | trans | -87.5 | 125.9 | -178.1 | -67.4 | -179.6 | -169.6 | 0 | 0 | 111.3 | A854 Y855 L871 T875 | A854-M858 HydrophobicContact CB-CE 4.35Å; A854-M858 PolarHBondContact O-N 2.86Å; Y855-M858 HydrophobicContact CD1-CE 4.46Å; Y855-M858 HydrophobicContact CD1-SD 3.62Å; Y855-M858 HydrophobicContact CE1-SD 3.92Å; Y855-M858 HydrophobicContact CG-SD 4.16Å; Y855-M858 PolarHBondContact O-N 3.44Å; M858-L871 HydrophobicContact SD-CD2 4.32Å; M858-T875 HydrophobicContact CE-CG2 3.8Å | ||
| 859 | N | 86.8 | Confident | 95.3 | Very high | 162 Ų | 162 | 68.5 Ų | 68.5 | 87% | 0.866 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -99.3 | -15.5 | 178.8 | -64.9 | -25.9 | 0 | 0 | 0 | 113.5 | ||
| 860 | N | 89.8 | Confident | 95.3 | Very high | 146 Ų | 146 | 67.2 Ų | 67.2 | 78% | 0.781 | 33% | 0.334 | S | S | * | . | trans | -136.8 | 135.4 | 179.4 | -168.1 | 17.5 | 0 | 0 | 0 | 110 | ||||
| 861 | F | 93.4 | Very high | 95.2 | Very high | 75 Ų | 75 | 62.4 Ų | 62.4 | 33% | 0.329 | 31% | 0.314 | S | S | . | . | trans | -153 | 153.7 | 179.5 | 52.1 | -93.2 | 0 | 0 | 0 | 110.3 | C770 L871 | C770-F861 HydrophobicContact CB-CB 4.5Å; C770-F861 HydrophobicContact CB-CD1 3.64Å; C770-F861 HydrophobicContact CB-CD2 3.82Å; C770-F861 HydrophobicContact CB-CE1 3.69Å; C770-F861 HydrophobicContact CB-CE2 3.87Å; C770-F861 HydrophobicContact CB-CG 3.72Å; C770-F861 HydrophobicContact CB-CZ 3.81Å; F861-L871 HydrophobicContact CB-CD2 3.84Å | ||
| 862 | P | 93.9 | Very high | 95.2 | Very high | 40 Ų | 40 | 62.5 Ų | 62.5 | 26% | 0.26 | 32% | 0.315 | S | S | . | . | trans | -59.2 | 146.8 | 178.8 | -25.4 | 36.2 | 0 | 0 | 0 | 112.6 | K868 | P862-K868 HydrophobicContact CB-CG 4.25Å; P862-K868 WeakPolarHBondContact O-CE 3.44Å; P862-K868 WeakPolarHBondContact O-CG 3.31Å | ||
| 863 | K | 92.6 | Very high | 95.2 | Very high | 183 Ų | 183 | 62.3 Ų | 62.3 | 80% | 0.796 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -88.1 | -36.8 | 178.7 | -69.1 | -173.9 | 179 | 179.9 | 0 | 111.7 | K868 | K863-K868 WeakPolarHBondContact O-CE 3.45Å; K863-K868 PolarHBondContact O-NZ 3.33Å |
| 864 | E | 94.8 | Very high | 95.3 | Very high | 121 Ų | 121 | 62 Ų | 62 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -78.8 | 144.4 | 176.9 | 66.9 | -72.9 | 167.4 | 0 | 0 | 113 | K866 G867 K868 | E864-K866 VanDerWaalsContact C-N 3.26Å; E864-K866 PolarHBondContact O-N 2.91Å; E864-G867 PolarHBondContact O-N 3.41Å; E864-K868 WeakPolarHBondContact O-CG 3.35Å; E864-K868 PolarHBondContact O-N 3.28Å; E864-K868 VanDerWaalsContact O-N 3.16Å |
| 865 | N | 95.8 | Very high | 95.3 | Very high | 47 Ų | 47 | 60.9 Ų | 60.9 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.4 | -38.7 | -176.4 | -71.8 | -6.6 | 0 | 0 | 0 | 113.1 | F773 P774 G867 K868 M869 | F773-N865 WeakPolarHBondContact CA-OD1 3.31Å; F773-N865 HydrophobicContact CB-CB 4.28Å; P774-N865 PolarHBondContact O-ND2 2.84Å; N865-G867 PolarHBondContact O-N 2.98Å; N865-K868 PolarHBondContact O-N 3.42Å; N865-M869 WeakPolarHBondContact O-CB 3.33Å; N865-M869 WeakPolarHBondContact O-CG 3.29Å; N865-M869 PolarHBondContact O-N 3.42Å |
| 866 | K | 96.4 | Very high | 95.4 | Very high | 101 Ų | 101 | 60.9 Ų | 60.9 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.3 | -49.6 | 179.5 | -171 | -168.6 | -173.6 | -158.7 | 0 | 111.5 | E864 M869 N870 P894 E896 | E864-K866 VanDerWaalsContact C-N 3.26Å; E864-K866 PolarHBondContact O-N 2.91Å; K866-M869 PolarHBondContact O-N 2.97Å; K866-N870 PolarHBondContact O-N 3.26Å; K866-N870 PolarHBondContact O-ND2 3.39Å; K866-P894 HydrophobicContact CB-CG 4.38Å; K866-P894 HydrophobicContact CG-CB 4.12Å; K866-P894 HydrophobicContact CG-CG 3.79Å; K866-E896 WeakPolarHBondContact CE-OE1 3.35Å; K866-E896 IonicContact NZ-OE1 2.64Å; K866-E896 PolarHBondContact NZ-OE1 3.3Å |
| 867 | G | 96.9 | Very high | 95.7 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E864 N865 M869 N870 L871 | E864-G867 PolarHBondContact O-N 3.41Å; N865-G867 PolarHBondContact O-N 2.98Å; G867-M869 PolarHBondContact O-N 3.31Å; G867-N870 PolarHBondContact O-N 3.47Å; G867-L871 PolarHBondContact O-N 2.91Å |
| 868 | K | 97.6 | Very high | 95.9 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 179.1 | -61.2 | -179.9 | -174.9 | 172.9 | 0 | 113 | G769 E772 F773 P862 K863 E864 N865 N870 L871 Y872 | G769-K868 VanDerWaalsContact O-CE 3.25Å; G769-K868 WeakPolarHBondContact O-CE 3.29Å; G769-K868 PolarHBondContact O-NZ 3.33Å; E772-K868 WeakPolarHBondContact O-CD 3.2Å; F773-K868 HydrophobicContact CD1-CB 3.72Å; F773-K868 HydrophobicContact CD1-CD 4.33Å; F773-K868 HydrophobicContact CE1-CB 3.51Å; P862-K868 HydrophobicContact CB-CG 4.25Å; P862-K868 WeakPolarHBondContact O-CE 3.44Å; P862-K868 WeakPolarHBondContact O-CG 3.31Å; K863-K868 WeakPolarHBondContact O-CE 3.45Å; K863-K868 PolarHBondContact O-NZ 3.33Å; E864-K868 WeakPolarHBondContact O-CG 3.35Å; E864-K868 PolarHBondContact O-N 3.28Å; E864-K868 VanDerWaalsContact O-N 3.16Å; N865-K868 PolarHBondContact O-N 3.42Å; K868-N870 VanDerWaalsContact C-N 3.35Å; K868-L871 PolarHBondContact O-N 3.1Å; K868-Y872 WeakPolarHBondContact O-CB 3.48Å; K868-Y872 PolarHBondContact O-N 3.12Å |
| 869 | M | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176 | -77.4 | 174.6 | 169.5 | 0 | 0 | 111.7 | F773 L824 W827 N865 K866 G867 Y872 A873 W893 P894 | F773-M869 HydrophobicContact CB-CE 3.83Å; F773-M869 HydrophobicContact CD1-CG 3.97Å; F773-M869 HydrophobicContact CD2-CE 3.83Å; F773-M869 HydrophobicContact CD2-CG 3.95Å; F773-M869 HydrophobicContact CE1-CG 4.07Å; F773-M869 HydrophobicContact CE2-CG 4.05Å; F773-M869 HydrophobicContact CG-CE 3.89Å; F773-M869 HydrophobicContact CG-CG 3.93Å; F773-M869 HydrophobicContact CZ-CG 4.11Å; L824-M869 HydrophobicContact CD1-CE 4.06Å; L824-M869 HydrophobicContact CD2-CE 4.29Å; L824-M869 HydrophobicContact CD2-SD 4.33Å; W827-M869 HydrophobicContact CE3-CE 4.31Å; W827-M869 HydrophobicContact CZ3-CE 3.96Å; N865-M869 WeakPolarHBondContact O-CB 3.33Å; N865-M869 WeakPolarHBondContact O-CG 3.29Å; N865-M869 PolarHBondContact O-N 3.42Å; K866-M869 PolarHBondContact O-N 2.97Å; G867-M869 PolarHBondContact O-N 3.31Å; M869-Y872 PolarHBondContact O-N 3.26Å; M869-A873 WeakPolarHBondContact O-CB 3.31Å; M869-A873 PolarHBondContact O-N 3.08Å; M869-W893 HydrophobicContact CB-CD2 4.25Å; M869-W893 HydrophobicContact CB-CE3 3.63Å; M869-W893 HydrophobicContact CB-CZ3 3.99Å; M869-W893 HydrophobicContact CG-CD2 4.1Å; M869-W893 HydrophobicContact CG-CE3 3.87Å; M869-W893 HydrophobicContact CG-CZ3 4.1Å; M869-W893 WeakPolarHBondContact O-CZ3 3.38Å; M869-W893 HydrophobicContact SD-CD2 4.29Å; M869-W893 HydrophobicContact SD-CG 4.32Å; M869-P894 HydrophobicContact SD-CG 4.22Å |
| 870 | N | 98.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.043 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 174.4 | -82.5 | -86.8 | 0 | 0 | 0 | 111.8 | K866 G867 K868 Y872 A873 E874 P894 I895 E896 T899 | K866-N870 PolarHBondContact O-N 3.26Å; K866-N870 PolarHBondContact O-ND2 3.39Å; G867-N870 PolarHBondContact O-N 3.47Å; K868-N870 VanDerWaalsContact C-N 3.35Å; N870-Y872 VanDerWaalsContact C-N 3.29Å; N870-Y872 PolarHBondContact O-N 3.25Å; N870-A873 PolarHBondContact O-N 3.4Å; N870-E874 PolarHBondContact O-N 2.91Å; N870-P894 PolarHBondContact ND2-O 2.64Å; N870-I895 WeakPolarHBondContact OD1-CA 3.48Å; N870-E896 PolarHBondContact OD1-N 3.49Å; N870-T899 WeakPolarHBondContact OD1-CB 3.45Å; N870-T899 PolarHBondContact OD1-OG1 3.34Å |
| 871 | L | 97.6 | Very high | 96.9 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -39.2 | 175.7 | 178.7 | 61.3 | 0 | 0 | 0 | 111.9 | Y855 M858 F861 G867 K868 E874 T875 | Y855-L871 HydrophobicContact CE1-CD2 4.18Å; Y855-L871 HydrophobicContact CE1-CG 4.47Å; M858-L871 HydrophobicContact SD-CD2 4.32Å; F861-L871 HydrophobicContact CB-CD2 3.84Å; G867-L871 PolarHBondContact O-N 2.91Å; K868-L871 PolarHBondContact O-N 3.1Å; L871-E874 PolarHBondContact O-N 3.37Å; L871-T875 VanDerWaalsContact O-CB 3.29Å; L871-T875 WeakPolarHBondContact O-CB 3.42Å; L871-T875 PolarHBondContact O-N 3.07Å; L871-T875 PolarHBondContact O-OG1 3.24Å |
| 872 | Y | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66 | -45.1 | 177 | -170 | -85.5 | 0 | 0 | 0 | 111.5 | W771 F773 Y836 V851 Y855 K868 M869 N870 E874 T875 F876 F888 W893 | W771-Y872 HydrophobicContact CB-CD2 4.13Å; W771-Y872 HydrophobicContact CB-CE2 4.37Å; F773-Y872 HydrophobicContact CZ-CD2 4.3Å; F773-Y872 HydrophobicContact CZ-CG 4.1Å; Y836-Y872 HydrophobicContact CE1-CE1 4.1Å; Y836-Y872 AromaticContact CE1-CZ 3.79Å; Y836-Y872 WeakPolarHBondContact CE1-OH 3.5Å; V851-Y872 HydrophobicContact CG1-CE2 4.26Å; Y855-Y872 AromaticContact CE2-CD2 3.97Å; Y855-Y872 HydrophobicContact CE2-CD2 3.97Å; Y855-Y872 HydrophobicContact CE2-CE2 4.43Å; Y855-Y872 WeakPolarHBondContact OH-CA 3.32Å; Y855-Y872 WeakPolarHBondContact OH-CB 3.34Å; Y855-Y872 PolarHBondContact OH-N 2.88Å; K868-Y872 WeakPolarHBondContact O-CB 3.48Å; K868-Y872 PolarHBondContact O-N 3.12Å; M869-Y872 PolarHBondContact O-N 3.26Å; N870-Y872 VanDerWaalsContact C-N 3.29Å; N870-Y872 PolarHBondContact O-N 3.25Å; Y872-E874 VanDerWaalsContact C-N 3.31Å; Y872-E874 PolarHBondContact O-N 3.44Å; Y872-T875 PolarHBondContact O-N 3.19Å; Y872-F876 HydrophobicContact CE1-CB 4.44Å; Y872-F876 AromaticContact CE1-CD2 3.72Å; Y872-F876 HydrophobicContact CE1-CD2 3.72Å; Y872-F876 HydrophobicContact CE1-CG 4.48Å; Y872-F876 AromaticContact CZ-CD2 3.81Å; Y872-F876 VanDerWaalsContact O-CB 3.31Å; Y872-F876 WeakPolarHBondContact O-CB 3.25Å; Y872-F876 PolarHBondContact O-N 2.99Å; Y872-F888 HydrophobicContact CD1-CE1 4.31Å; Y872-F888 HydrophobicContact CD1-CZ 4.02Å; Y872-F888 HydrophobicContact CE1-CE1 4.38Å; Y872-F888 HydrophobicContact CE1-CZ 4.09Å; Y872-W893 AromaticContact CD1-CH2 3.81Å; Y872-W893 HydrophobicContact CD1-CH2 3.81Å; Y872-W893 AromaticContact CD1-CZ3 3.94Å; Y872-W893 HydrophobicContact CD1-CZ3 3.94Å; Y872-W893 HydrophobicContact CE1-CH2 4.38Å; Y872-W893 HydrophobicContact CG-CH2 4.38Å; Y872-W893 HydrophobicContact CG-CZ3 4.42Å |
| 873 | A | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M869 N870 S877 F888 I895 | M869-A873 WeakPolarHBondContact O-CB 3.31Å; M869-A873 PolarHBondContact O-N 3.08Å; N870-A873 PolarHBondContact O-N 3.4Å; A873-S877 WeakPolarHBondContact O-CB 3.42Å; A873-S877 PolarHBondContact O-N 3.39Å; A873-S877 PolarHBondContact O-OG 3.08Å; A873-F888 HydrophobicContact CB-CD2 3.48Å; A873-F888 VanDerWaalsContact CB-CD2 3.48Å; A873-F888 HydrophobicContact CB-CE2 3.8Å; A873-F888 HydrophobicContact CB-CG 4.2Å; A873-I895 HydrophobicContact CB-CD1 3.71Å |
| 874 | E | 97.9 | Very high | 97.7 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.9 | -55.9 | 174.1 | -171.6 | -169.5 | 147.7 | 0 | 0 | 112.2 | N870 L871 Y872 F876 S877 Q878 T899 K902 L903 | N870-E874 PolarHBondContact O-N 2.91Å; L871-E874 PolarHBondContact O-N 3.37Å; Y872-E874 VanDerWaalsContact C-N 3.31Å; Y872-E874 PolarHBondContact O-N 3.44Å; E874-F876 VanDerWaalsContact C-N 3.31Å; E874-F876 PolarHBondContact O-N 3.42Å; E874-S877 PolarHBondContact O-N 3.2Å; E874-Q878 HydrophobicContact CG-CG 4.46Å; E874-Q878 VanDerWaalsContact CG-NE2 3.35Å; E874-Q878 WeakPolarHBondContact O-CG 3.47Å; E874-Q878 PolarHBondContact O-N 3.12Å; E874-Q878 PolarHBondContact OE1-NE2 3.23Å; E874-T899 HydrophobicContact CB-CG2 4.46Å; E874-K902 VanDerWaalsContact CD-CE 3.45Å; E874-K902 HydrophobicContact CG-CD 4.43Å; E874-K902 WeakPolarHBondContact OE1-CE 3.34Å; E874-K902 IonicContact OE1-NZ 3.21Å; E874-K902 PolarHBondContact OE1-NZ 3.31Å; E874-K902 WeakPolarHBondContact OE2-CD 3.33Å; E874-K902 WeakPolarHBondContact OE2-CE 3.5Å; E874-K902 IonicContact OE2-NZ 3.96Å; E874-K902 PolarHBondContact OE2-NZ 3.24Å; E874-L903 HydrophobicContact CG-CD2 4.15Å |
| 875 | T | 97.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | -174.9 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | V851 A854 Y855 M858 L871 Y872 T879 | V851-T875 HydrophobicContact CG1-CG2 4.27Å; A854-T875 HydrophobicContact CB-CG2 4.05Å; Y855-T875 HydrophobicContact CD2-CG2 4.26Å; Y855-T875 HydrophobicContact CE2-CG2 3.95Å; M858-T875 HydrophobicContact CE-CG2 3.8Å; L871-T875 VanDerWaalsContact O-CB 3.29Å; L871-T875 WeakPolarHBondContact O-CB 3.42Å; L871-T875 PolarHBondContact O-N 3.07Å; L871-T875 PolarHBondContact O-OG1 3.24Å; Y872-T875 PolarHBondContact O-N 3.19Å; T875-T879 WeakPolarHBondContact O-CB 3.42Å; T875-T879 PolarHBondContact O-N 2.88Å; T875-T879 PolarHBondContact O-OG1 3.36Å |
| 876 | F | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.7 | -47.4 | 178.6 | -151 | -62.1 | 0 | 0 | 0 | 110.7 | L839 F843 A847 F848 V851 Y872 E874 Q878 T879 V880 L884 | L839-F876 HydrophobicContact CB-CE1 4.36Å; L839-F876 HydrophobicContact CB-CE2 4.39Å; L839-F876 HydrophobicContact CB-CZ 3.87Å; L839-F876 HydrophobicContact CD1-CD2 4.2Å; L839-F876 HydrophobicContact CD1-CE2 3.95Å; L839-F876 HydrophobicContact CD1-CZ 4.14Å; L839-F876 HydrophobicContact CD2-CD1 4.39Å; L839-F876 HydrophobicContact CD2-CE1 4.08Å; L839-F876 HydrophobicContact CD2-CZ 4.34Å; L839-F876 HydrophobicContact CG-CZ 4.34Å; F843-F876 AromaticContact CD2-CE1 3.88Å; F843-F876 HydrophobicContact CD2-CE1 3.88Å; F843-F876 HydrophobicContact CE2-CE1 4.49Å; F843-F876 HydrophobicContact CG-CE1 4.42Å; A847-F876 HydrophobicContact CB-CE1 4.35Å; A847-F876 HydrophobicContact CB-CZ 4.27Å; F848-F876 HydrophobicContact CD1-CE2 4.42Å; F848-F876 HydrophobicContact CD2-CE2 4.31Å; F848-F876 HydrophobicContact CD2-CZ 4.15Å; F848-F876 HydrophobicContact CE1-CE2 4.19Å; F848-F876 HydrophobicContact CE2-CE2 4.04Å; F848-F876 AromaticContact CE2-CZ 3.85Å; F848-F876 HydrophobicContact CE2-CZ 3.85Å; F848-F876 HydrophobicContact CG-CE2 4.49Å; F848-F876 AromaticContact CZ-CE2 3.99Å; F848-F876 HydrophobicContact CZ-CE2 3.99Å; F848-F876 HydrophobicContact CZ-CZ 4.22Å; V851-F876 HydrophobicContact CB-CD2 4.43Å; V851-F876 HydrophobicContact CG1-CD2 4.27Å; V851-F876 HydrophobicContact CG2-CB 4.24Å; V851-F876 HydrophobicContact CG2-CD1 4.44Å; V851-F876 HydrophobicContact CG2-CD2 3.68Å; V851-F876 HydrophobicContact CG2-CE2 4.08Å; V851-F876 HydrophobicContact CG2-CG 3.88Å; Y872-F876 HydrophobicContact CE1-CB 4.44Å; Y872-F876 AromaticContact CE1-CD2 3.72Å; Y872-F876 HydrophobicContact CE1-CD2 3.72Å; Y872-F876 HydrophobicContact CE1-CG 4.48Å; Y872-F876 AromaticContact CZ-CD2 3.81Å; Y872-F876 VanDerWaalsContact O-CB 3.31Å; Y872-F876 WeakPolarHBondContact O-CB 3.25Å; Y872-F876 PolarHBondContact O-N 2.99Å; E874-F876 VanDerWaalsContact C-N 3.31Å; E874-F876 PolarHBondContact O-N 3.42Å; F876-Q878 PolarHBondContact O-N 3.29Å; F876-T879 WeakPolarHBondContact O-CB 3Å; F876-T879 PolarHBondContact O-N 2.91Å; F876-T879 VanDerWaalsContact O-N 3.1Å; F876-V880 HydrophobicContact CD1-CG1 3.86Å; F876-V880 HydrophobicContact CD1-CG2 4.25Å; F876-V880 HydrophobicContact CE1-CG1 3.63Å; F876-V880 WeakPolarHBondContact O-CG2 3.31Å; F876-V880 PolarHBondContact O-N 3.43Å; F876-L884 HydrophobicContact CB-CD1 4.05Å; F876-L884 HydrophobicContact CD1-CD1 3.41Å; F876-L884 VanDerWaalsContact CD1-CD1 3.41Å; F876-L884 HydrophobicContact CE1-CD1 4.2Å; F876-L884 HydrophobicContact CG-CD1 4.02Å |
| 877 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.5 | -46 | 179.8 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | A873 E874 V880 S881 M882 L884 | A873-S877 WeakPolarHBondContact O-CB 3.42Å; A873-S877 PolarHBondContact O-N 3.39Å; A873-S877 PolarHBondContact O-OG 3.08Å; E874-S877 PolarHBondContact O-N 3.2Å; S877-V880 PolarHBondContact O-N 3.01Å; S877-S881 WeakPolarHBondContact O-CA 3.39Å; S877-S881 PolarHBondContact O-N 2.93Å; S877-M882 CarbonylContact C-O 3.54Å; S877-M882 WeakPolarHBondContact CA-O 3.47Å; S877-M882 WeakPolarHBondContact CB-O 3.41Å; S877-M882 PolarHBondContact O-N 3.06Å; S877-M882 PolarHBondContact OG-O 3.45Å; S877-L884 VanDerWaalsContact OG-CB 3.31Å; S877-L884 WeakPolarHBondContact OG-CB 3.08Å; S877-L884 WeakPolarHBondContact OG-CG 3.38Å; S877-L884 PolarHBondContact OG-N 2.81Å |
| 878 | Q | 98 | Very high | 98 | Very high | 93 Ų | 93 | 21.2 Ų | 21.2 | 44% | 0.435 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 175.9 | -71.7 | 171.5 | -3.5 | 0 | 0 | 111.5 | E874 F876 V880 S881 L903 | E874-Q878 HydrophobicContact CG-CG 4.46Å; E874-Q878 VanDerWaalsContact CG-NE2 3.35Å; E874-Q878 WeakPolarHBondContact O-CG 3.47Å; E874-Q878 PolarHBondContact O-N 3.12Å; E874-Q878 PolarHBondContact OE1-NE2 3.23Å; F876-Q878 PolarHBondContact O-N 3.29Å; Q878-V880 VanDerWaalsContact C-N 3.3Å; Q878-V880 PolarHBondContact O-N 3.1Å; Q878-S881 PolarHBondContact O-N 3.04Å; Q878-L903 HydrophobicContact CG-CD2 4.04Å |
| 879 | T | 97.8 | Very high | 97.9 | Very high | 43 Ų | 43 | 24.1 Ų | 24.1 | 26% | 0.264 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.7 | -37.9 | -179.7 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | K850 V851 T875 F876 | K850-T879 HydrophobicContact CB-CG2 3.46Å; K850-T879 VanDerWaalsContact CB-CG2 3.46Å; K850-T879 HydrophobicContact CD-CG2 4.26Å; V851-T879 HydrophobicContact CG2-CG2 3.86Å; T875-T879 WeakPolarHBondContact O-CB 3.42Å; T875-T879 PolarHBondContact O-N 2.88Å; T875-T879 PolarHBondContact O-OG1 3.36Å; F876-T879 WeakPolarHBondContact O-CB 3Å; F876-T879 PolarHBondContact O-N 2.91Å; F876-T879 VanDerWaalsContact O-N 3.1Å |
| 880 | V | 97.8 | Very high | 97.8 | Very high | 27 Ų | 27 | 24.7 Ų | 24.7 | 16% | 0.164 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -97.3 | 2.5 | 179.5 | -55.2 | 0 | 0 | 0 | 0 | 113.8 | F843 A847 F876 S877 Q878 M882 L884 | F843-V880 HydrophobicContact CB-CG1 4Å; F843-V880 HydrophobicContact CD1-CB 3.73Å; F843-V880 HydrophobicContact CD1-CG1 3.81Å; F843-V880 HydrophobicContact CD1-CG2 4.11Å; F843-V880 HydrophobicContact CD2-CG1 4.25Å; F843-V880 HydrophobicContact CE1-CB 3.84Å; F843-V880 HydrophobicContact CE1-CG1 4.35Å; F843-V880 HydrophobicContact CE1-CG2 3.77Å; F843-V880 HydrophobicContact CE2-CG2 4.24Å; F843-V880 HydrophobicContact CG-CB 4.17Å; F843-V880 HydrophobicContact CG-CG1 3.76Å; F843-V880 HydrophobicContact CG-CG2 4.49Å; F843-V880 HydrophobicContact CZ-CB 4.39Å; F843-V880 HydrophobicContact CZ-CG2 3.85Å; A847-V880 HydrophobicContact CB-CG1 3.86Å; F876-V880 HydrophobicContact CD1-CG1 3.86Å; F876-V880 HydrophobicContact CD1-CG2 4.25Å; F876-V880 HydrophobicContact CE1-CG1 3.63Å; F876-V880 WeakPolarHBondContact O-CG2 3.31Å; F876-V880 PolarHBondContact O-N 3.43Å; S877-V880 PolarHBondContact O-N 3.01Å; Q878-V880 VanDerWaalsContact C-N 3.3Å; Q878-V880 PolarHBondContact O-N 3.1Å; V880-M882 HydrophobicContact CG2-CB 3.94Å; V880-M882 PolarHBondContact O-N 3.39Å; V880-L884 HydrophobicContact CG2-CD1 4.05Å; V880-L884 HydrophobicContact CG2-CD2 4.42Å; V880-L884 HydrophobicContact CG2-CG 4.38Å |
| 881 | S | 97.8 | Very high | 97.7 | Very high | 77 Ų | 77 | 24.4 Ų | 24.4 | 54% | 0.538 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 39.7 | -177.8 | -57.5 | 0 | 0 | 0 | 0 | 113.5 | S877 Q878 P907 | S877-S881 WeakPolarHBondContact O-CA 3.39Å; S877-S881 PolarHBondContact O-N 2.93Å; Q878-S881 PolarHBondContact O-N 3.04Å; S881-P907 WeakPolarHBondContact O-CD 3.31Å; S881-P907 WeakPolarHBondContact O-CG 3.49Å |
| 882 | M | 98.1 | Very high | 97.6 | Very high | 43 Ų | 43 | 24.1 Ų | 24.1 | 21% | 0.212 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -144.5 | 136.6 | -178.5 | -166.7 | 176 | -61.3 | 0 | 0 | 109.4 | F843 S877 V880 L884 P907 W909 | F843-M882 HydrophobicContact CE1-CE 3.86Å; F843-M882 HydrophobicContact CE1-SD 3.93Å; F843-M882 HydrophobicContact CZ-CE 4.29Å; F843-M882 HydrophobicContact CZ-SD 3.73Å; S877-M882 CarbonylContact C-O 3.54Å; S877-M882 WeakPolarHBondContact CA-O 3.47Å; S877-M882 WeakPolarHBondContact CB-O 3.41Å; S877-M882 PolarHBondContact O-N 3.06Å; S877-M882 PolarHBondContact OG-O 3.45Å; V880-M882 HydrophobicContact CG2-CB 3.94Å; V880-M882 PolarHBondContact O-N 3.39Å; M882-L884 HydrophobicContact CB-CD2 4.47Å; M882-L884 HydrophobicContact CG-CD2 4.47Å; M882-L884 PolarHBondContact O-N 2.65Å; M882-P907 CarbonylContact C-O 3.49Å; M882-P907 WeakPolarHBondContact CA-O 3.33Å; M882-P907 WeakPolarHBondContact CG-O 3.1Å; M882-W909 HydrophobicContact CG-CB 4.11Å; M882-W909 HydrophobicContact SD-CB 3.65Å; M882-W909 HydrophobicContact SD-CD2 4.49Å; M882-W909 HydrophobicContact SD-CG 3.85Å |
| 883 | N | 98.1 | Very high | 97.6 | Very high | 19 Ų | 19 | 24.3 Ų | 24.3 | 10% | 0.102 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -76.3 | 110.6 | 178.2 | -174.5 | -10.9 | 0 | 0 | 0 | 110.4 | T885 L903 L906 P907 W909 | N883-T885 WeakPolarHBondContact OD1-CB 3.17Å; N883-T885 WeakPolarHBondContact OD1-CG2 3.42Å; N883-T885 PolarHBondContact OD1-N 3.35Å; N883-T885 PolarHBondContact OD1-OG1 3.22Å; N883-L903 HydrophobicContact CB-CB 4.44Å; N883-L903 PolarHBondContact ND2-O 2.84Å; N883-L906 HydrophobicContact CB-CB 4.05Å; N883-P907 PolarHBondContact N-O 3.01Å; N883-W909 PolarHBondContact O-N 3.42Å |
| 884 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -98.2 | 5.1 | -178.6 | -52.8 | 177.4 | 0 | 0 | 0 | 113.6 | L839 F843 F876 S877 V880 M882 G886 F887 F888 W909 | L839-L884 HydrophobicContact CD2-CD1 3.93Å; F843-L884 HydrophobicContact CE2-CD1 4.37Å; F843-L884 HydrophobicContact CE2-CD2 3.76Å; F843-L884 HydrophobicContact CZ-CD2 3.7Å; F876-L884 HydrophobicContact CB-CD1 4.05Å; F876-L884 HydrophobicContact CD1-CD1 3.41Å; F876-L884 VanDerWaalsContact CD1-CD1 3.41Å; F876-L884 HydrophobicContact CE1-CD1 4.2Å; F876-L884 HydrophobicContact CG-CD1 4.02Å; S877-L884 VanDerWaalsContact OG-CB 3.31Å; S877-L884 WeakPolarHBondContact OG-CB 3.08Å; S877-L884 WeakPolarHBondContact OG-CG 3.38Å; S877-L884 PolarHBondContact OG-N 2.81Å; V880-L884 HydrophobicContact CG2-CD1 4.05Å; V880-L884 HydrophobicContact CG2-CD2 4.42Å; V880-L884 HydrophobicContact CG2-CG 4.38Å; M882-L884 HydrophobicContact CB-CD2 4.47Å; M882-L884 HydrophobicContact CG-CD2 4.47Å; M882-L884 PolarHBondContact O-N 2.65Å; L884-G886 VanDerWaalsContact C-N 3.3Å; L884-G886 PolarHBondContact O-N 3.27Å; L884-F887 WeakPolarHBondContact O-CB 3.22Å; L884-F887 PolarHBondContact O-N 3.01Å; L884-F887 VanDerWaalsContact O-N 3.12Å; L884-F888 HydrophobicContact CB-CD2 3.86Å; L884-F888 HydrophobicContact CB-CE2 3.62Å; L884-F888 HydrophobicContact CD1-CE2 4.06Å; L884-F888 WeakPolarHBondContact O-CD2 3.36Å; L884-F888 PolarHBondContact O-N 3.43Å; L884-W909 HydrophobicContact CD2-CB 4.34Å; L884-W909 HydrophobicContact CD2-CD2 4.45Å; L884-W909 HydrophobicContact CD2-CE3 3.66Å; L884-W909 HydrophobicContact CD2-CZ3 4.38Å | ||
| 885 | T | 97.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 25.8 Ų | 25.8 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | -176.2 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | N883 F887 F888 K889 I895 T899 E900 L903 | N883-T885 WeakPolarHBondContact OD1-CB 3.17Å; N883-T885 WeakPolarHBondContact OD1-CG2 3.42Å; N883-T885 PolarHBondContact OD1-N 3.35Å; N883-T885 PolarHBondContact OD1-OG1 3.22Å; T885-F887 VanDerWaalsContact C-N 3.34Å; T885-F887 PolarHBondContact O-N 2.65Å; T885-F888 PolarHBondContact O-N 2.93Å; T885-K889 WeakPolarHBondContact O-CB 3.47Å; T885-K889 WeakPolarHBondContact O-CG 3.37Å; T885-K889 PolarHBondContact O-N 3.04Å; T885-I895 HydrophobicContact CG2-CG2 3.86Å; T885-T899 HydrophobicContact CG2-CG2 4.25Å; T885-E900 HydrophobicContact CG2-CG 3.95Å; T885-L903 HydrophobicContact CG2-CD1 3.54Å |
| 886 | G | 97.1 | Very high | 97.5 | Very high | 37 Ų | 37 | 29.4 Ų | 29.4 | 38% | 0.381 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L884 K889 A890 | L884-G886 VanDerWaalsContact C-N 3.3Å; L884-G886 PolarHBondContact O-N 3.27Å; G886-K889 PolarHBondContact O-N 3.39Å; G886-A890 WeakPolarHBondContact O-CB 3.42Å; G886-A890 PolarHBondContact O-N 3.44Å |
| 887 | F | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -49.2 | 177.3 | 171.4 | -106.3 | 0 | 0 | 0 | 112.4 | T835 Q838 L839 L884 T885 K889 A890 W891 W909 H912 M914 | T835-F887 HydrophobicContact CG2-CE1 3.68Å; T835-F887 HydrophobicContact CG2-CZ 3.94Å; Q838-F887 HydrophobicContact CB-CE2 4.22Å; Q838-F887 HydrophobicContact CB-CZ 3.98Å; L839-F887 HydrophobicContact CD1-CE1 4.23Å; L839-F887 HydrophobicContact CD2-CD1 4.04Å; L839-F887 HydrophobicContact CD2-CE1 3.73Å; L839-F887 HydrophobicContact CD2-CZ 4.5Å; L839-F887 HydrophobicContact CG-CE1 3.75Å; L839-F887 HydrophobicContact CG-CZ 4.33Å; L884-F887 WeakPolarHBondContact O-CB 3.22Å; L884-F887 PolarHBondContact O-N 3.01Å; L884-F887 VanDerWaalsContact O-N 3.12Å; T885-F887 VanDerWaalsContact C-N 3.34Å; T885-F887 PolarHBondContact O-N 2.65Å; F887-K889 PolarHBondContact O-N 3.07Å; F887-A890 WeakPolarHBondContact O-CB 3.39Å; F887-A890 PolarHBondContact O-N 3.12Å; F887-A890 VanDerWaalsContact O-N 3.17Å; F887-W891 AromaticContact CE1-CD1 3.95Å; F887-W891 AromaticContact CE2-CD1 3.55Å; F887-W891 AromaticContact CE2-NE1 3.29Å; F887-W891 VanDerWaalsContact CE2-NE1 3.29Å; F887-W891 AromaticContact CZ-CD1 3.5Å; F887-W891 VanDerWaalsContact CZ-CD1 3.5Å; F887-W891 AromaticContact CZ-NE1 3.3Å; F887-W891 VanDerWaalsContact CZ-NE1 3.3Å; F887-W891 PolarHBondContact O-N 2.94Å; F887-W909 HydrophobicContact CB-CE3 4.06Å; F887-W909 HydrophobicContact CB-CZ3 4.41Å; F887-W909 HydrophobicContact CD1-CZ3 4.24Å; F887-W909 HydrophobicContact CD2-CE3 4.27Å; F887-W909 AromaticContact CD2-CZ3 3.88Å; F887-W909 HydrophobicContact CD2-CZ3 3.88Å; F887-W909 HydrophobicContact CE1-CZ3 4.5Å; F887-W909 HydrophobicContact CE2-CH2 4.48Å; F887-W909 HydrophobicContact CE2-CZ3 4.13Å; F887-W909 HydrophobicContact CG-CE3 4.07Å; F887-W909 AromaticContact CG-CZ3 3.91Å; F887-W909 HydrophobicContact CG-CZ3 3.91Å; F887-W909 HydrophobicContact CZ-CZ3 4.43Å; F887-H912 HydrophobicContact CB-CB 4.3Å; F887-H912 HydrophobicContact CD2-CB 3.83Å; F887-H912 AromaticContact CD2-CG 3.92Å; F887-H912 AromaticContact CD2-ND1 3.99Å; F887-M914 HydrophobicContact CE2-CG 4.49Å |
| 888 | F | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.2 | -37.9 | 179.4 | -71.1 | -64.9 | 0 | 0 | 0 | 112.2 | T835 L839 Y872 A873 L884 T885 A890 W891 G892 W893 I895 | T835-F888 HydrophobicContact CG2-CD1 4.28Å; T835-F888 HydrophobicContact CG2-CE1 4.13Å; L839-F888 HydrophobicContact CD1-CE1 4.05Å; L839-F888 HydrophobicContact CD1-CZ 3.84Å; L839-F888 HydrophobicContact CD2-CZ 4.48Å; Y872-F888 HydrophobicContact CD1-CE1 4.31Å; Y872-F888 HydrophobicContact CD1-CZ 4.02Å; Y872-F888 HydrophobicContact CE1-CE1 4.38Å; Y872-F888 HydrophobicContact CE1-CZ 4.09Å; A873-F888 HydrophobicContact CB-CD2 3.48Å; A873-F888 VanDerWaalsContact CB-CD2 3.48Å; A873-F888 HydrophobicContact CB-CE2 3.8Å; A873-F888 HydrophobicContact CB-CG 4.2Å; L884-F888 HydrophobicContact CB-CD2 3.86Å; L884-F888 HydrophobicContact CB-CE2 3.62Å; L884-F888 HydrophobicContact CD1-CE2 4.06Å; L884-F888 WeakPolarHBondContact O-CD2 3.36Å; L884-F888 PolarHBondContact O-N 3.43Å; T885-F888 PolarHBondContact O-N 2.93Å; F888-A890 VanDerWaalsContact C-N 3.3Å; F888-A890 PolarHBondContact O-N 2.75Å; F888-W891 CarbonylContact O-C 3.48Å; F888-W891 PolarHBondContact O-N 3.32Å; F888-W891 VanDerWaalsContact O-N 3.12Å; F888-G892 PolarHBondContact O-N 2.84Å; F888-W893 HydrophobicContact CB-CB 4.14Å; F888-W893 HydrophobicContact CB-CD2 4.2Å; F888-W893 HydrophobicContact CB-CE3 4.05Å; F888-W893 HydrophobicContact CB-CG 4.26Å; F888-W893 AromaticContact CD1-CD2 3.76Å; F888-W893 HydrophobicContact CD1-CD2 3.76Å; F888-W893 AromaticContact CD1-CE3 3.54Å; F888-W893 HydrophobicContact CD1-CE3 3.54Å; F888-W893 HydrophobicContact CD1-CG 4.49Å; F888-W893 AromaticContact CD1-CH2 3.87Å; F888-W893 HydrophobicContact CD1-CH2 3.87Å; F888-W893 HydrophobicContact CD1-CZ2 4.07Å; F888-W893 AromaticContact CD1-CZ3 3.61Å; F888-W893 HydrophobicContact CD1-CZ3 3.61Å; F888-W893 HydrophobicContact CE1-CE3 4.18Å; F888-W893 AromaticContact CE1-CH2 3.72Å; F888-W893 HydrophobicContact CE1-CH2 3.72Å; F888-W893 HydrophobicContact CE1-CZ2 4.15Å; F888-W893 AromaticContact CE1-CZ3 3.74Å; F888-W893 HydrophobicContact CE1-CZ3 3.74Å; F888-W893 HydrophobicContact CG-CD2 4.31Å; F888-W893 AromaticContact CG-CE3 3.91Å; F888-W893 HydrophobicContact CG-CE3 3.91Å; F888-W893 HydrophobicContact CG-CZ3 4.22Å; F888-W893 HydrophobicContact CZ-CZ3 4.45Å; F888-W893 WeakPolarHBondContact O-CB 3.45Å; F888-W893 PolarHBondContact O-N 2.97Å; F888-W893 VanDerWaalsContact O-N 3.08Å; F888-I895 HydrophobicContact CB-CD1 3.96Å; F888-I895 HydrophobicContact CB-CG1 3.91Å |
| 889 | K | 96.3 | Very high | 97.3 | Very high | 81 Ų | 81 | 34.9 Ų | 34.9 | 35% | 0.352 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.8 | -38.9 | 171.5 | -77.4 | -175 | 171.7 | -172.9 | 0 | 112.2 | T885 G886 F887 W891 G892 I895 E900 | T885-K889 WeakPolarHBondContact O-CB 3.47Å; T885-K889 WeakPolarHBondContact O-CG 3.37Å; T885-K889 PolarHBondContact O-N 3.04Å; G886-K889 PolarHBondContact O-N 3.39Å; F887-K889 PolarHBondContact O-N 3.07Å; K889-W891 PolarHBondContact O-N 2.85Å; K889-G892 PolarHBondContact O-N 2.9Å; K889-I895 HydrophobicContact CD-CB 4.39Å; K889-I895 WeakPolarHBondContact CE-O 3.5Å; K889-I895 HydrophobicContact CG-CB 3.76Å; K889-I895 HydrophobicContact CG-CG1 3.93Å; K889-E900 VanDerWaalsContact CE-CD 3.49Å; K889-E900 VanDerWaalsContact CE-OE1 3.24Å; K889-E900 WeakPolarHBondContact CE-OE1 3.45Å; K889-E900 IonicContact NZ-OE1 2.64Å; K889-E900 PolarHBondContact NZ-OE1 2.79Å; K889-E900 IonicContact NZ-OE2 2.64Å; K889-E900 PolarHBondContact NZ-OE2 2.9Å |
| 890 | A | 95.6 | Very high | 97.2 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 12% | 0.116 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -23.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K822 G886 F887 F888 G892 H912 M914 | K822-A890 WeakPolarHBondContact CD-O 3.11Å; G886-A890 WeakPolarHBondContact O-CB 3.42Å; G886-A890 PolarHBondContact O-N 3.44Å; F887-A890 WeakPolarHBondContact O-CB 3.39Å; F887-A890 PolarHBondContact O-N 3.12Å; F887-A890 VanDerWaalsContact O-N 3.17Å; F888-A890 VanDerWaalsContact C-N 3.3Å; F888-A890 PolarHBondContact O-N 2.75Å; A890-G892 VanDerWaalsContact C-N 3.34Å; A890-H912 VanDerWaalsContact CB-CE1 3.42Å; A890-H912 WeakPolarHBondContact CB-CE1 3.43Å; A890-M914 HydrophobicContact CB-CB 3.66Å; A890-M914 WeakPolarHBondContact O-CE 3.39Å |
| 891 | W | 96.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 10 | 170 | -81.1 | 108.5 | 0 | 0 | 0 | 114.1 | M814 Y817 W827 V831 E834 T835 F887 F888 K889 M914 | M814-W891 HydrophobicContact CG-CH2 4.24Å; Y817-W891 AromaticContact CD1-CE3 3.7Å; Y817-W891 HydrophobicContact CD1-CE3 3.7Å; Y817-W891 AromaticContact CD1-CZ3 3.61Å; Y817-W891 HydrophobicContact CD1-CZ3 3.61Å; Y817-W891 AromaticContact CE1-CE3 3.61Å; Y817-W891 HydrophobicContact CE1-CE3 3.61Å; Y817-W891 HydrophobicContact CE1-CZ3 4.01Å; Y817-W891 HydrophobicContact CG-CZ3 4.26Å; Y817-W891 PolarHBondContact OH-O 3.4Å; Y817-W891 VanDerWaalsContact OH-O 3.07Å; W827-W891 AromaticContact CD1-CE3 3.89Å; V831-W891 HydrophobicContact CG1-CZ3 4.05Å; E834-W891 HydrophobicContact CB-CH2 3.74Å; E834-W891 HydrophobicContact CB-CZ2 4.06Å; E834-W891 HydrophobicContact CG-CH2 3.7Å; E834-W891 HydrophobicContact CG-CZ2 3.79Å; T835-W891 HydrophobicContact CG2-CG 4.05Å; F887-W891 AromaticContact CE1-CD1 3.95Å; F887-W891 AromaticContact CE2-CD1 3.55Å; F887-W891 AromaticContact CE2-NE1 3.29Å; F887-W891 VanDerWaalsContact CE2-NE1 3.29Å; F887-W891 AromaticContact CZ-CD1 3.5Å; F887-W891 VanDerWaalsContact CZ-CD1 3.5Å; F887-W891 AromaticContact CZ-NE1 3.3Å; F887-W891 VanDerWaalsContact CZ-NE1 3.3Å; F887-W891 PolarHBondContact O-N 2.94Å; F888-W891 CarbonylContact O-C 3.48Å; F888-W891 PolarHBondContact O-N 3.32Å; F888-W891 VanDerWaalsContact O-N 3.12Å; K889-W891 PolarHBondContact O-N 2.85Å; W891-M914 HydrophobicContact CD2-CE 3.84Å; W891-M914 HydrophobicContact CD2-CG 4.25Å; W891-M914 HydrophobicContact CD2-SD 4.13Å; W891-M914 VanDerWaalsContact CE2-SD 3.6Å; W891-M914 HydrophobicContact CE3-CE 3.96Å; W891-M914 HydrophobicContact CG-CE 4.36Å; W891-M914 HydrophobicContact CG-CG 4.4Å; W891-M914 HydrophobicContact CH2-CE 4.33Å; W891-M914 HydrophobicContact CH2-SD 3.96Å; W891-M914 HydrophobicContact CZ2-CE 4.23Å; W891-M914 HydrophobicContact CZ2-CG 4.04Å; W891-M914 HydrophobicContact CZ2-SD 3.52Å; W891-M914 VanDerWaalsContact CZ2-SD 3.52Å; W891-M914 HydrophobicContact CZ3-CE 4.21Å; W891-M914 HydrophobicContact CZ3-SD 4.43Å |
| 892 | G | 95.3 | Very high | 97.1 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 27% | 0.268 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 11.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F888 K889 A890 | F888-G892 PolarHBondContact O-N 2.84Å; K889-G892 PolarHBondContact O-N 2.9Å; A890-G892 VanDerWaalsContact C-N 3.34Å |
| 893 | W | 97.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | trans | -71.2 | 141.2 | 177.5 | -72.1 | 25.9 | 0 | 0 | 0 | 111.2 | F773 W827 M869 Y872 F888 I895 | F773-W893 HydrophobicContact CD2-CH2 4.4Å; F773-W893 HydrophobicContact CD2-CZ2 4.39Å; F773-W893 AromaticContact CE2-CH2 3.47Å; F773-W893 HydrophobicContact CE2-CH2 3.47Å; F773-W893 VanDerWaalsContact CE2-CH2 3.47Å; F773-W893 AromaticContact CE2-CZ2 3.84Å; F773-W893 HydrophobicContact CE2-CZ2 3.84Å; F773-W893 HydrophobicContact CE2-CZ3 4.17Å; F773-W893 AromaticContact CZ-CH2 4Å; F773-W893 HydrophobicContact CZ-CH2 4Å; F773-W893 HydrophobicContact CZ-CZ3 4.35Å; W827-W893 AromaticContact CD2-NE1 3.88Å; W827-W893 AromaticContact CE2-NE1 3.46Å; W827-W893 AromaticContact CH2-CZ2 3.61Å; W827-W893 HydrophobicContact CH2-CZ2 3.61Å; W827-W893 AromaticContact CH2-NE1 3.9Å; W827-W893 AromaticContact CZ2-CE2 3.86Å; W827-W893 AromaticContact CZ2-CZ2 3.59Å; W827-W893 HydrophobicContact CZ2-CZ2 3.59Å; W827-W893 AromaticContact CZ2-NE1 3.51Å; W827-W893 HydrophobicContact CZ3-CZ2 4.46Å; W827-W893 AromaticContact NE1-NE1 3.83Å; M869-W893 HydrophobicContact CB-CD2 4.25Å; M869-W893 HydrophobicContact CB-CE3 3.63Å; M869-W893 HydrophobicContact CB-CZ3 3.99Å; M869-W893 HydrophobicContact CG-CD2 4.1Å; M869-W893 HydrophobicContact CG-CE3 3.87Å; M869-W893 HydrophobicContact CG-CZ3 4.1Å; M869-W893 WeakPolarHBondContact O-CZ3 3.38Å; M869-W893 HydrophobicContact SD-CD2 4.29Å; M869-W893 HydrophobicContact SD-CG 4.32Å; Y872-W893 AromaticContact CD1-CH2 3.81Å; Y872-W893 HydrophobicContact CD1-CH2 3.81Å; Y872-W893 AromaticContact CD1-CZ3 3.94Å; Y872-W893 HydrophobicContact CD1-CZ3 3.94Å; Y872-W893 HydrophobicContact CE1-CH2 4.38Å; Y872-W893 HydrophobicContact CG-CH2 4.38Å; Y872-W893 HydrophobicContact CG-CZ3 4.42Å; F888-W893 HydrophobicContact CB-CB 4.14Å; F888-W893 HydrophobicContact CB-CD2 4.2Å; F888-W893 HydrophobicContact CB-CE3 4.05Å; F888-W893 HydrophobicContact CB-CG 4.26Å; F888-W893 AromaticContact CD1-CD2 3.76Å; F888-W893 HydrophobicContact CD1-CD2 3.76Å; F888-W893 AromaticContact CD1-CE3 3.54Å; F888-W893 HydrophobicContact CD1-CE3 3.54Å; F888-W893 HydrophobicContact CD1-CG 4.49Å; F888-W893 AromaticContact CD1-CH2 3.87Å; F888-W893 HydrophobicContact CD1-CH2 3.87Å; F888-W893 HydrophobicContact CD1-CZ2 4.07Å; F888-W893 AromaticContact CD1-CZ3 3.61Å; F888-W893 HydrophobicContact CD1-CZ3 3.61Å; F888-W893 HydrophobicContact CE1-CE3 4.18Å; F888-W893 AromaticContact CE1-CH2 3.72Å; F888-W893 HydrophobicContact CE1-CH2 3.72Å; F888-W893 HydrophobicContact CE1-CZ2 4.15Å; F888-W893 AromaticContact CE1-CZ3 3.74Å; F888-W893 HydrophobicContact CE1-CZ3 3.74Å; F888-W893 HydrophobicContact CG-CD2 4.31Å; F888-W893 AromaticContact CG-CE3 3.91Å; F888-W893 HydrophobicContact CG-CE3 3.91Å; F888-W893 HydrophobicContact CG-CZ3 4.22Å; F888-W893 HydrophobicContact CZ-CZ3 4.45Å; F888-W893 WeakPolarHBondContact O-CB 3.45Å; F888-W893 PolarHBondContact O-N 2.97Å; F888-W893 VanDerWaalsContact O-N 3.08Å; W893-I895 HydrophobicContact CB-CD1 4.1Å; W893-I895 HydrophobicContact CB-CG1 4.17Å; W893-I895 HydrophobicContact CE3-CD1 4.28Å; W893-I895 PolarHBondContact O-N 3.13Å | ||
| 894 | P | 96.7 | Very high | 97 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | trans | -79.9 | 62.6 | -178.7 | 35.1 | -37.1 | 0 | 0 | 0 | 111.4 | K866 M869 N870 E896 | K866-P894 HydrophobicContact CB-CG 4.38Å; K866-P894 HydrophobicContact CG-CB 4.12Å; K866-P894 HydrophobicContact CG-CG 3.79Å; M869-P894 HydrophobicContact SD-CG 4.22Å; N870-P894 PolarHBondContact ND2-O 2.64Å; P894-E896 PolarHBondContact O-N 2.8Å | ||
| 895 | I | 97.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | trans | -70.6 | 123.2 | 178.3 | -54.4 | -57.5 | 0 | 0 | 0 | 109.9 | N870 A873 T885 F888 K889 W893 T899 E900 | N870-I895 WeakPolarHBondContact OD1-CA 3.48Å; A873-I895 HydrophobicContact CB-CD1 3.71Å; T885-I895 HydrophobicContact CG2-CG2 3.86Å; F888-I895 HydrophobicContact CB-CD1 3.96Å; F888-I895 HydrophobicContact CB-CG1 3.91Å; K889-I895 HydrophobicContact CD-CB 4.39Å; K889-I895 WeakPolarHBondContact CE-O 3.5Å; K889-I895 HydrophobicContact CG-CB 3.76Å; K889-I895 HydrophobicContact CG-CG1 3.93Å; W893-I895 HydrophobicContact CB-CD1 4.1Å; W893-I895 HydrophobicContact CB-CG1 4.17Å; W893-I895 HydrophobicContact CE3-CD1 4.28Å; W893-I895 PolarHBondContact O-N 3.13Å; I895-T899 HydrophobicContact CG2-CG2 4.2Å; I895-E900 HydrophobicContact CG2-CG 4.13Å | ||
| 896 | E | 97.5 | Very high | 96.8 | Very high | 80 Ų | 80 | 49.6 Ų | 49.6 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | trans | -83.9 | 152.2 | -177.5 | -62 | -177.2 | 147.9 | 0 | 0 | 111.6 | K866 N870 P894 A898 T899 E900 | K866-E896 WeakPolarHBondContact CE-OE1 3.35Å; K866-E896 IonicContact NZ-OE1 2.64Å; K866-E896 PolarHBondContact NZ-OE1 3.3Å; N870-E896 PolarHBondContact OD1-N 3.49Å; P894-E896 PolarHBondContact O-N 2.8Å; E896-A898 PolarHBondContact O-N 2.95Å; E896-T899 WeakPolarHBondContact O-CB 3.48Å; E896-T899 PolarHBondContact O-N 3.48Å; E896-E900 PolarHBondContact O-N 3.17Å | ||
| 897 | Q | 96.6 | Very high | 96.9 | Very high | 134 Ų | 134 | 51.8 Ų | 51.8 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -55.7 | -38.5 | 178.7 | -178.3 | 178.9 | -13.4 | 0 | 0 | 112.3 | T899 E900 E901 | Q897-T899 VanDerWaalsContact C-N 3.27Å; Q897-T899 PolarHBondContact O-N 3.44Å; Q897-E900 WeakPolarHBondContact O-CB 3.42Å; Q897-E900 PolarHBondContact O-N 3.18Å; Q897-E900 VanDerWaalsContact O-N 3.08Å; Q897-E901 HydrophobicContact CG-CG 4.3Å; Q897-E901 WeakPolarHBondContact CG-OE1 3.31Å; Q897-E901 PolarHBondContact NE2-OE1 3.29Å; Q897-E901 WeakPolarHBondContact O-CG 3.43Å; Q897-E901 PolarHBondContact O-N 3.17Å |
| 898 | A | 96.9 | Very high | 96.7 | Very high | 62 Ų | 62 | 54.8 Ų | 54.8 | 51% | 0.512 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.3 | -37.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E896 K902 | E896-A898 PolarHBondContact O-N 2.95Å; A898-K902 VanDerWaalsContact O-CB 3.31Å; A898-K902 WeakPolarHBondContact O-CB 3.2Å; A898-K902 PolarHBondContact O-N 3.08Å |
| 899 | T | 97.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 175.9 | -54.3 | 0 | 0 | 0 | 0 | 111 | N870 E874 T885 I895 E896 Q897 L903 | N870-T899 WeakPolarHBondContact OD1-CB 3.45Å; N870-T899 PolarHBondContact OD1-OG1 3.34Å; E874-T899 HydrophobicContact CB-CG2 4.46Å; T885-T899 HydrophobicContact CG2-CG2 4.25Å; I895-T899 HydrophobicContact CG2-CG2 4.2Å; E896-T899 WeakPolarHBondContact O-CB 3.48Å; E896-T899 PolarHBondContact O-N 3.48Å; Q897-T899 VanDerWaalsContact C-N 3.27Å; Q897-T899 PolarHBondContact O-N 3.44Å; T899-L903 HydrophobicContact CG2-CD1 4.09Å; T899-L903 WeakPolarHBondContact O-CG 3.44Å; T899-L903 PolarHBondContact O-N 2.9Å |
| 900 | E | 96.7 | Very high | 96.5 | Very high | 56 Ų | 56 | 57.2 Ų | 57.2 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 176.9 | -64 | -179 | 112.1 | 0 | 0 | 112.6 | T885 K889 I895 E896 Q897 K902 L903 S904 | T885-E900 HydrophobicContact CG2-CG 3.95Å; K889-E900 VanDerWaalsContact CE-CD 3.49Å; K889-E900 VanDerWaalsContact CE-OE1 3.24Å; K889-E900 WeakPolarHBondContact CE-OE1 3.45Å; K889-E900 IonicContact NZ-OE1 2.64Å; K889-E900 PolarHBondContact NZ-OE1 2.79Å; K889-E900 IonicContact NZ-OE2 2.64Å; K889-E900 PolarHBondContact NZ-OE2 2.9Å; I895-E900 HydrophobicContact CG2-CG 4.13Å; E896-E900 PolarHBondContact O-N 3.17Å; Q897-E900 WeakPolarHBondContact O-CB 3.42Å; Q897-E900 PolarHBondContact O-N 3.18Å; Q897-E900 VanDerWaalsContact O-N 3.08Å; E900-K902 VanDerWaalsContact C-N 3.29Å; E900-K902 PolarHBondContact O-N 3.02Å; E900-L903 CarbonylContact O-C 3.51Å; E900-L903 PolarHBondContact O-N 3.06Å; E900-S904 PolarHBondContact O-N 3.18Å |
| 901 | E | 96.5 | Very high | 96.4 | Very high | 113 Ų | 113 | 62 Ų | 62 | 53% | 0.528 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 176.8 | -73.1 | 172.8 | -177.8 | 0 | 0 | 110.7 | Q897 L903 S904 | Q897-E901 HydrophobicContact CG-CG 4.3Å; Q897-E901 WeakPolarHBondContact CG-OE1 3.31Å; Q897-E901 PolarHBondContact NE2-OE1 3.29Å; Q897-E901 WeakPolarHBondContact O-CG 3.43Å; Q897-E901 PolarHBondContact O-N 3.17Å; E901-L903 VanDerWaalsContact C-N 3.27Å; E901-L903 PolarHBondContact O-N 3.27Å; E901-S904 WeakPolarHBondContact O-CB 3.48Å; E901-S904 PolarHBondContact O-N 3.02Å; E901-S904 PolarHBondContact O-OG 3.22Å |
| 902 | K | 96.6 | Very high | 96.2 | Very high | 120 Ų | 120 | 62.9 Ų | 62.9 | 52% | 0.522 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -33.4 | 177.7 | -168.9 | 173 | -175.6 | -175.4 | 0 | 113.1 | E874 A898 E900 | E874-K902 VanDerWaalsContact CD-CE 3.45Å; E874-K902 HydrophobicContact CG-CD 4.43Å; E874-K902 WeakPolarHBondContact OE1-CE 3.34Å; E874-K902 IonicContact OE1-NZ 3.21Å; E874-K902 PolarHBondContact OE1-NZ 3.31Å; E874-K902 WeakPolarHBondContact OE2-CD 3.33Å; E874-K902 WeakPolarHBondContact OE2-CE 3.5Å; E874-K902 IonicContact OE2-NZ 3.96Å; E874-K902 PolarHBondContact OE2-NZ 3.24Å; A898-K902 VanDerWaalsContact O-CB 3.31Å; A898-K902 WeakPolarHBondContact O-CB 3.2Å; A898-K902 PolarHBondContact O-N 3.08Å; E900-K902 VanDerWaalsContact C-N 3.29Å; E900-K902 PolarHBondContact O-N 3.02Å |
| 903 | L | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -97 | 1.3 | -179.4 | -62.8 | 171.7 | 0 | 0 | 0 | 113.6 | E874 Q878 N883 T885 T899 E900 E901 S905 L906 | E874-L903 HydrophobicContact CG-CD2 4.15Å; Q878-L903 HydrophobicContact CG-CD2 4.04Å; N883-L903 HydrophobicContact CB-CB 4.44Å; N883-L903 PolarHBondContact ND2-O 2.84Å; T885-L903 HydrophobicContact CG2-CD1 3.54Å; T899-L903 HydrophobicContact CG2-CD1 4.09Å; T899-L903 WeakPolarHBondContact O-CG 3.44Å; T899-L903 PolarHBondContact O-N 2.9Å; E900-L903 CarbonylContact O-C 3.51Å; E900-L903 PolarHBondContact O-N 3.06Å; E901-L903 VanDerWaalsContact C-N 3.27Å; E901-L903 PolarHBondContact O-N 3.27Å; L903-S905 PolarHBondContact O-N 2.64Å; L903-S905 VanDerWaalsContact O-N 3.13Å; L903-L906 HydrophobicContact CD2-CD1 3.92Å; L903-L906 WeakPolarHBondContact O-CB 3.34Å; L903-L906 PolarHBondContact O-N 2.64Å |
| 904 | S | 95.7 | Very high | 95.7 | Very high | 87 Ų | 87 | 64.4 Ų | 64.4 | 61% | 0.608 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.7 | -174.2 | 63.3 | 0 | 0 | 0 | 0 | 114.6 | E900 E901 L906 | E900-S904 PolarHBondContact O-N 3.18Å; E901-S904 WeakPolarHBondContact O-CB 3.48Å; E901-S904 PolarHBondContact O-N 3.02Å; E901-S904 PolarHBondContact O-OG 3.22Å; S904-L906 VanDerWaalsContact C-N 3.31Å |
| 905 | S | 96.1 | Very high | 95 | Very high | 107 Ų | 107 | 69.6 Ų | 69.6 | 75% | 0.748 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -14.7 | 176.3 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | L903 | L903-S905 PolarHBondContact O-N 2.64Å; L903-S905 VanDerWaalsContact O-N 3.13Å |
| 906 | L | 97.8 | Very high | 94.9 | Very high | 41 Ų | 41 | 72.4 Ų | 72.4 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -89.2 | 147.3 | 177.8 | -60.6 | 178 | 0 | 0 | 0 | 111 | N883 L903 S904 A908 | N883-L906 HydrophobicContact CB-CB 4.05Å; L903-L906 HydrophobicContact CD2-CD1 3.92Å; L903-L906 WeakPolarHBondContact O-CB 3.34Å; L903-L906 PolarHBondContact O-N 2.64Å; S904-L906 VanDerWaalsContact C-N 3.31Å; L906-A908 PolarHBondContact O-N 3.13Å |
| 907 | P | 97.1 | Very high | 94.7 | Very high | 84 Ų | 84 | 71.9 Ų | 71.9 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 131.8 | 176.2 | 26.3 | -34.1 | 0 | 0 | 0 | 110.8 | S881 M882 N883 | S881-P907 WeakPolarHBondContact O-CD 3.31Å; S881-P907 WeakPolarHBondContact O-CG 3.49Å; M882-P907 CarbonylContact C-O 3.49Å; M882-P907 WeakPolarHBondContact CA-O 3.33Å; M882-P907 WeakPolarHBondContact CG-O 3.1Å; N883-P907 PolarHBondContact N-O 3.01Å |
| 908 | A | 95.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 68.5 Ų | 68.5 | 52% | 0.521 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -73.4 | 140.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L906 T910 | L906-A908 PolarHBondContact O-N 3.13Å; A908-T910 HydrophobicContact CB-CG2 4.05Å; A908-T910 PolarHBondContact O-N 3.25Å |
| 909 | W | 96.4 | Very high | 94.5 | Very high | 17 Ų | 17 | 68.9 Ų | 68.9 | 6% | 0.064 | 40% | 0.403 | C | S | . | . | trans | -79.5 | 83 | 171 | -170.3 | 9.6 | 0 | 0 | 0 | 110.6 | L839 K842 F843 M882 N883 L884 F887 D911 H912 P913 | L839-W909 HydrophobicContact CD2-CZ3 4.19Å; K842-W909 HydrophobicContact CB-CH2 3.71Å; K842-W909 HydrophobicContact CB-CZ2 3.79Å; K842-W909 HydrophobicContact CD-CZ2 3.78Å; K842-W909 HydrophobicContact CG-CH2 3.87Å; K842-W909 HydrophobicContact CG-CZ2 3.61Å; K842-W909 HydrophobicContact CG-CZ3 4.5Å; F843-W909 HydrophobicContact CE2-CE3 4.22Å; F843-W909 HydrophobicContact CE2-CH2 4.5Å; F843-W909 HydrophobicContact CE2-CZ3 4.03Å; F843-W909 HydrophobicContact CZ-CE3 4.35Å; M882-W909 HydrophobicContact CG-CB 4.11Å; M882-W909 HydrophobicContact SD-CB 3.65Å; M882-W909 HydrophobicContact SD-CD2 4.49Å; M882-W909 HydrophobicContact SD-CG 3.85Å; N883-W909 PolarHBondContact O-N 3.42Å; L884-W909 HydrophobicContact CD2-CB 4.34Å; L884-W909 HydrophobicContact CD2-CD2 4.45Å; L884-W909 HydrophobicContact CD2-CE3 3.66Å; L884-W909 HydrophobicContact CD2-CZ3 4.38Å; F887-W909 HydrophobicContact CB-CE3 4.06Å; F887-W909 HydrophobicContact CB-CZ3 4.41Å; F887-W909 HydrophobicContact CD1-CZ3 4.24Å; F887-W909 HydrophobicContact CD2-CE3 4.27Å; F887-W909 AromaticContact CD2-CZ3 3.88Å; F887-W909 HydrophobicContact CD2-CZ3 3.88Å; F887-W909 HydrophobicContact CE1-CZ3 4.5Å; F887-W909 HydrophobicContact CE2-CH2 4.48Å; F887-W909 HydrophobicContact CE2-CZ3 4.13Å; F887-W909 HydrophobicContact CG-CE3 4.07Å; F887-W909 AromaticContact CG-CZ3 3.91Å; F887-W909 HydrophobicContact CG-CZ3 3.91Å; F887-W909 HydrophobicContact CZ-CZ3 4.43Å; W909-D911 PolarHBondContact NE1-OD1 2.69Å; W909-H912 HydrophobicContact CD2-CB 3.6Å; W909-H912 HydrophobicContact CE3-CB 3.89Å; W909-H912 HydrophobicContact CG-CB 3.98Å; W909-H912 HydrophobicContact CH2-CB 4.36Å; W909-H912 HydrophobicContact CZ2-CB 4.07Å; W909-H912 HydrophobicContact CZ3-CB 4.26Å; W909-H912 PolarHBondContact O-CD2 3.07Å; W909-H912 VanDerWaalsContact O-CD2 3.27Å; W909-P913 HydrophobicContact CZ2-CG 4.44Å | ||
| 910 | T | 92.4 | Very high | 94.3 | Very high | 115 Ų | 115 | 72.4 Ų | 72.4 | 71% | 0.706 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -16.7 | -170.8 | 53.7 | 0 | 0 | 0 | 0 | 115.1 | A908 | A908-T910 HydrophobicContact CB-CG2 4.05Å; A908-T910 PolarHBondContact O-N 3.25Å |
| 911 | D | 93.3 | Very high | 94.1 | Very high | 115 Ų | 115 | 73.5 Ų | 73.5 | 62% | 0.615 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | 32.1 | -178.1 | 68.9 | -22.1 | 0 | 0 | 0 | 112.3 | W909 | W909-D911 PolarHBondContact NE1-OD1 2.69Š|
| 912 | H | 93.5 | Very high | 94 | Very high | 20 Ų | 20 | 70.7 Ų | 70.7 | 9% | 0.093 | 43% | 0.428 | C | S | . | . | trans | -68.6 | 154.1 | -176.6 | 69.6 | 67.6 | 0 | 0 | 0 | 112.2 | F887 A890 W909 M914 V915 | F887-H912 HydrophobicContact CB-CB 4.3Å; F887-H912 HydrophobicContact CD2-CB 3.83Å; F887-H912 AromaticContact CD2-CG 3.92Å; F887-H912 AromaticContact CD2-ND1 3.99Å; A890-H912 VanDerWaalsContact CB-CE1 3.42Å; A890-H912 WeakPolarHBondContact CB-CE1 3.43Å; W909-H912 HydrophobicContact CD2-CB 3.6Å; W909-H912 HydrophobicContact CE3-CB 3.89Å; W909-H912 HydrophobicContact CG-CB 3.98Å; W909-H912 HydrophobicContact CH2-CB 4.36Å; W909-H912 HydrophobicContact CZ2-CB 4.07Å; W909-H912 HydrophobicContact CZ3-CB 4.26Å; W909-H912 PolarHBondContact O-CD2 3.07Å; W909-H912 VanDerWaalsContact O-CD2 3.27Å; H912-M914 PolarHBondContact ND1-N 2.79Å; H912-M914 PolarHBondContact O-N 3.39Å; H912-V915 WeakPolarHBondContact CE1-CG2 3.44Å; H912-V915 WeakPolarHBondContact NE2-CG2 3.24Å; H912-V915 WeakPolarHBondContact O-CG2 3.48Å; H912-V915 PolarHBondContact O-N 2.93Å; H912-V915 VanDerWaalsContact O-N 3.13Å | ||
| 913 | P | 90.8 | Very high | 93.8 | Very high | 60 Ų | 60 | 66.9 Ų | 66.9 | 39% | 0.39 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 0.9 | -170.8 | -24 | 34.8 | 0 | 0 | 0 | 117.4 | Q838 W909 | Q838-P913 HydrophobicContact CB-CG 4.32Å; Q838-P913 HydrophobicContact CG-CB 4.33Å; Q838-P913 HydrophobicContact CG-CG 4.14Å; W909-P913 HydrophobicContact CZ2-CG 4.44Å |
| 914 | M | 90.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 72.3 Ų | 72.3 | 3% | 0.025 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 3.7 | -176.8 | -68.1 | -69.5 | -71.5 | 0 | 0 | 113 | M814 Y817 I818 F887 A890 W891 H912 | M814-M914 HydrophobicContact CG-SD 3.5Å; M814-M914 WeakPolarHBondContact CG-SD 3.32Å; M814-M914 HydrophobicContact SD-SD 3.7Å; Y817-M914 HydrophobicContact CD1-CE 4.34Å; I818-M914 HydrophobicContact CD1-CE 4.13Å; I818-M914 HydrophobicContact CD1-SD 4.15Å; I818-M914 HydrophobicContact CG1-CE 3.82Å; I818-M914 HydrophobicContact CG1-SD 4.47Å; F887-M914 HydrophobicContact CE2-CG 4.49Å; A890-M914 HydrophobicContact CB-CB 3.66Å; A890-M914 WeakPolarHBondContact O-CE 3.39Å; W891-M914 HydrophobicContact CD2-CE 3.84Å; W891-M914 HydrophobicContact CD2-CG 4.25Å; W891-M914 HydrophobicContact CD2-SD 4.13Å; W891-M914 VanDerWaalsContact CE2-SD 3.6Å; W891-M914 HydrophobicContact CE3-CE 3.96Å; W891-M914 HydrophobicContact CG-CE 4.36Å; W891-M914 HydrophobicContact CG-CG 4.4Å; W891-M914 HydrophobicContact CH2-CE 4.33Å; W891-M914 HydrophobicContact CH2-SD 3.96Å; W891-M914 HydrophobicContact CZ2-CE 4.23Å; W891-M914 HydrophobicContact CZ2-CG 4.04Å; W891-M914 HydrophobicContact CZ2-SD 3.52Å; W891-M914 VanDerWaalsContact CZ2-SD 3.52Å; W891-M914 HydrophobicContact CZ3-CE 4.21Å; W891-M914 HydrophobicContact CZ3-SD 4.43Å; H912-M914 PolarHBondContact ND1-N 2.79Å; H912-M914 PolarHBondContact O-N 3.39Å |
| 915 | V | 83.1 | Confident | 93.3 | Very high | 154 Ų | 154 | 71 Ų | 71 | 93% | 0.933 | 44% | 0.441 | S | S | * | . | trans | -75.4 | 0 | 173.4 | 179 | 0 | 0 | 0 | 0 | 110.6 | H912 | H912-V915 WeakPolarHBondContact CE1-CG2 3.44Å; H912-V915 WeakPolarHBondContact NE2-CG2 3.24Å; H912-V915 WeakPolarHBondContact O-CG2 3.48Å; H912-V915 PolarHBondContact O-N 2.93Å; H912-V915 VanDerWaalsContact O-N 3.13Å |
Retrieved 915 of 915 residues in 644 ms
(Link to these results)