| 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 | 44.4 | Very low | 44.8 | Very low | 237 Ų | 237 | 129.1 Ų | 129.1 | 100% | 1.167 | 71% | 0.714 | S | S | * | * | 0 | 122 | 0 | -73.8 | -172.1 | -100.4 | 0 | 0 | 108.4 | L3 | M1-L3 PolarHBondContact O-N 3.24Š| |||
| 2 | R | 39.8 | Very low | 46.5 | Very low | 215 Ų | 215 | 135.7 Ų | 135.7 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | trans | -71.5 | 125.4 | -170.4 | -65.8 | -177.2 | 176.5 | 177.6 | -1.1 | 110.6 | T4 A5 | R2-T4 WeakPolarHBondContact CB-OG1 3.48Å; R2-T4 PolarHBondContact O-N 3Å; R2-A5 PolarHBondContact O-N 3.15Å | ||
| 3 | L | 43.7 | Very low | 48.4 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -46.5 | -26.6 | 175.1 | -83 | 157.3 | 0 | 0 | 0 | 113.8 | M1 A5 I6 L7 | M1-L3 PolarHBondContact O-N 3.24Å; L3-A5 VanDerWaalsContact C-N 3.32Å; L3-A5 PolarHBondContact O-N 3.39Å; L3-I6 PolarHBondContact O-N 3.32Å; L3-L7 PolarHBondContact O-N 3.39Å; L3-L7 VanDerWaalsContact O-N 3.16Å |
| 4 | T | 47.9 | Very low | 50.4 | Low | 104 Ų | 104 | 127 Ų | 127 | 64% | 0.638 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -62.6 | -30.9 | 177 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | R2 S8 | R2-T4 WeakPolarHBondContact CB-OG1 3.48Å; R2-T4 PolarHBondContact O-N 3Å; T4-S8 WeakPolarHBondContact O-CB 3.2Å; T4-S8 PolarHBondContact O-N 3.25Å |
| 5 | A | 43.8 | Very low | 52.4 | Low | 55 Ų | 55 | 123.7 Ų | 123.7 | 46% | 0.455 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -73.5 | -37.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R2 L3 S8 M9 | R2-A5 PolarHBondContact O-N 3.15Å; L3-A5 VanDerWaalsContact C-N 3.32Å; L3-A5 PolarHBondContact O-N 3.39Å; A5-S8 PolarHBondContact O-N 2.88Å; A5-S8 PolarHBondContact O-OG 3.46Å; A5-M9 PolarHBondContact O-N 2.69Å |
| 6 | I | 42.4 | Very low | 54.4 | Low | 117 Ų | 117 | 121.6 Ų | 121.6 | 60% | 0.6 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -71.7 | -41.7 | -179.9 | -59.2 | 173.7 | 0 | 0 | 0 | 110.1 | L3 S8 M9 A10 | L3-I6 PolarHBondContact O-N 3.32Å; I6-S8 VanDerWaalsContact C-N 3.27Å; I6-S8 PolarHBondContact O-N 2.59Å; I6-M9 PolarHBondContact O-N 3.3Å; I6-M9 VanDerWaalsContact O-N 3.12Å; I6-A10 PolarHBondContact O-N 3.04Å |
| 7 | L | 39.2 | Very low | 56 | Low | 136 Ų | 136 | 127 Ų | 127 | 71% | 0.712 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -63 | -34.3 | 174.9 | -139.2 | 100.7 | 0 | 0 | 0 | 112.3 | L3 M9 A10 A11 | L3-L7 PolarHBondContact O-N 3.39Å; L3-L7 VanDerWaalsContact O-N 3.16Å; L7-M9 VanDerWaalsContact C-N 3.29Å; L7-M9 PolarHBondContact O-N 3.28Å; L7-A10 PolarHBondContact O-N 3.17Å; L7-A11 PolarHBondContact O-N 2.49Å |
| 8 | S | 44.7 | Very low | 57.6 | Low | 85 Ų | 85 | 126.2 Ų | 126.2 | 59% | 0.594 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -70.4 | -23.2 | 176.8 | 81.8 | 0 | 0 | 0 | 0 | 113.6 | T4 A5 I6 | T4-S8 WeakPolarHBondContact O-CB 3.2Å; T4-S8 PolarHBondContact O-N 3.25Å; A5-S8 PolarHBondContact O-N 2.88Å; A5-S8 PolarHBondContact O-OG 3.46Å; I6-S8 VanDerWaalsContact C-N 3.27Å; I6-S8 PolarHBondContact O-N 2.59Å |
| 9 | M | 44.4 | Very low | 59.4 | Low | 174 Ų | 174 | 121.1 Ų | 121.1 | 86% | 0.857 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80 | -26.3 | 172 | -69.5 | -156.2 | 179 | 0 | 0 | 112.8 | A5 I6 L7 | A5-M9 PolarHBondContact O-N 2.69Å; I6-M9 PolarHBondContact O-N 3.3Å; I6-M9 VanDerWaalsContact O-N 3.12Å; L7-M9 VanDerWaalsContact C-N 3.29Å; L7-M9 PolarHBondContact O-N 3.28Å |
| 10 | A | 45.5 | Very low | 61 | Low | 85 Ų | 85 | 120.3 Ų | 120.3 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -86.6 | -18.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I6 L7 K12 | I6-A10 PolarHBondContact O-N 3.04Å; L7-A10 PolarHBondContact O-N 3.17Å; A10-K12 PolarHBondContact O-N 3.41Å |
| 11 | A | 57.3 | Low | 62.5 | Low | 67 Ų | 67 | 117.7 Ų | 117.7 | 55% | 0.554 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -71.4 | 116.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | L7 A13 | L7-A11 PolarHBondContact O-N 2.49Å; A11-A13 PolarHBondContact O-N 3.16Å |
| 12 | K | 64.3 | Low | 64.8 | Low | 208 Ų | 208 | 107.8 Ų | 107.8 | 90% | 0.904 | 59% | 0.588 | S | S | * | * | trans | -59.6 | 108 | 171.2 | -170 | 172.8 | -177 | 176.2 | 0 | 108.5 | A10 A14 | A10-K12 PolarHBondContact O-N 3.41Å; K12-A14 PolarHBondContact O-N 3.42Å; K12-A14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | A | 71.3 | Confident | 67.4 | Low | 48 Ų | 48 | 100.8 Ų | 100.8 | 40% | 0.397 | 57% | 0.569 | S | S | . | * | trans | -62.4 | 116.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | A11 F15 | A11-A13 PolarHBondContact O-N 3.16Å; A13-F15 HydrophobicContact CB-CE1 4.02Å; A13-F15 HydrophobicContact CB-CE2 3.59Å; A13-F15 HydrophobicContact CB-CZ 3.27Å; A13-F15 WeakPolarHBondContact O-CD2 3.37Å; A13-F15 WeakPolarHBondContact O-CE2 3.16Å | ||
| 14 | A | 76.5 | Confident | 69.7 | Low | 102 Ų | 102 | 95.8 Ų | 95.8 | 84% | 0.843 | 55% | 0.546 | S | S | * | . | trans | -82.6 | 117 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | K12 | K12-A14 PolarHBondContact O-N 3.42Å; K12-A14 VanDerWaalsContact O-N 3.1Å | ||
| 15 | F | 80.8 | Confident | 71.8 | Confident | 77 Ų | 77 | 96.2 Ų | 96.2 | 34% | 0.338 | 54% | 0.536 | S | S | . | . | trans | -105 | 142.5 | 177.2 | -58.3 | -68.9 | 0 | 0 | 0 | 110.4 | A13 Y19 P26 | A13-F15 HydrophobicContact CB-CE1 4.02Å; A13-F15 HydrophobicContact CB-CE2 3.59Å; A13-F15 HydrophobicContact CB-CZ 3.27Å; A13-F15 WeakPolarHBondContact O-CD2 3.37Å; A13-F15 WeakPolarHBondContact O-CE2 3.16Å; F15-Y19 HydrophobicContact CB-CD2 4.49Å; F15-Y19 HydrophobicContact CB-CG 4.31Å; F15-Y19 HydrophobicContact CD1-CD2 4.22Å; F15-Y19 HydrophobicContact CD1-CE2 4.23Å; F15-P26 HydrophobicContact CD1-CB 4.05Å; F15-P26 HydrophobicContact CE1-CB 3.33Å; F15-P26 HydrophobicContact CE2-CB 3.92Å; F15-P26 HydrophobicContact CZ-CB 3.27Å; F15-P26 HydrophobicContact CZ-CG 4.31Å | ||
| 16 | P | 84.5 | Confident | 73.9 | Confident | 90 Ų | 90 | 94.5 Ų | 94.5 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | trans | -55.5 | 148.9 | 171.1 | -23.7 | 33.2 | 0 | 0 | 0 | 111.5 | D18 Y19 | P16-D18 PolarHBondContact O-N 3.26Å; P16-D18 VanDerWaalsContact O-N 3.16Å; P16-Y19 VanDerWaalsContact O-CB 3.28Å; P16-Y19 WeakPolarHBondContact O-CB 3.29Å; P16-Y19 PolarHBondContact O-N 3.42Å | ||
| 17 | K | 81.6 | Confident | 76 | Confident | 214 Ų | 214 | 94.8 Ų | 94.8 | 93% | 0.93 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -36.5 | 177.1 | -68.4 | -175.8 | 178.5 | -179 | 0 | 112.4 | Y19 | K17-Y19 VanDerWaalsContact C-N 3.35Å; K17-Y19 PolarHBondContact O-N 3.04Å |
| 18 | D | 85.3 | Confident | 78.5 | Confident | 113 Ų | 113 | 90.4 Ų | 90.4 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 28.3 | -179.6 | -58.3 | -46.6 | 0 | 0 | 0 | 113.5 | P16 R20 | P16-D18 PolarHBondContact O-N 3.26Å; P16-D18 VanDerWaalsContact O-N 3.16Å; D18-R20 PolarHBondContact O-N 2.93Å |
| 19 | Y | 90.3 | Very high | 80.7 | Confident | 29 Ų | 29 | 93.5 Ų | 93.5 | 11% | 0.114 | 50% | 0.501 | C | S | . | . | trans | -61.5 | 123.3 | 177.8 | -175.9 | -95.3 | 0 | 0 | 0 | 111.6 | F15 P16 K17 Y21 P26 N35 | F15-Y19 HydrophobicContact CB-CD2 4.49Å; F15-Y19 HydrophobicContact CB-CG 4.31Å; F15-Y19 HydrophobicContact CD1-CD2 4.22Å; F15-Y19 HydrophobicContact CD1-CE2 4.23Å; P16-Y19 VanDerWaalsContact O-CB 3.28Å; P16-Y19 WeakPolarHBondContact O-CB 3.29Å; P16-Y19 PolarHBondContact O-N 3.42Å; K17-Y19 VanDerWaalsContact C-N 3.35Å; K17-Y19 PolarHBondContact O-N 3.04Å; Y19-Y21 AromaticContact CD1-CD1 3.87Å; Y19-Y21 HydrophobicContact CD1-CD1 3.87Å; Y19-Y21 HydrophobicContact CD1-CD2 4.05Å; Y19-Y21 AromaticContact CD1-CE1 3.84Å; Y19-Y21 HydrophobicContact CD1-CE1 3.84Å; Y19-Y21 HydrophobicContact CD1-CE2 4.03Å; Y19-Y21 AromaticContact CD1-CG 3.96Å; Y19-Y21 HydrophobicContact CD1-CG 3.96Å; Y19-Y21 AromaticContact CD1-CZ 3.93Å; Y19-Y21 AromaticContact CE1-CD1 3.88Å; Y19-Y21 HydrophobicContact CE1-CD1 3.88Å; Y19-Y21 HydrophobicContact CE1-CE1 4.11Å; Y19-Y21 HydrophobicContact CE1-CG 4.21Å; Y19-Y21 WeakPolarHBondContact O-CD2 3.29Å; Y19-Y21 PolarHBondContact O-N 3.44Å; Y19-P26 HydrophobicContact CE1-CB 4.01Å; Y19-P26 HydrophobicContact CE1-CG 4Å; Y19-P26 WeakPolarHBondContact OH-CA 3.28Å; Y19-N35 HydrophobicContact CD2-CB 4.47Å; Y19-N35 HydrophobicContact CE2-CB 3.76Å; Y19-N35 PolarHBondContact OH-ND2 3.38Å | ||
| 20 | R | 91.9 | Very high | 83 | Confident | 105 Ų | 105 | 87.7 Ų | 87.7 | 40% | 0.396 | 48% | 0.481 | S | S | . | . | trans | -84.4 | 100.2 | 177 | -173.6 | 172.3 | 177.8 | 166.3 | -4.7 | 110.6 | D18 N35 | D18-R20 PolarHBondContact O-N 2.93Å; R20-N35 PolarHBondContact O-ND2 3.1Å | ||
| 21 | Y | 92.7 | Very high | 85.2 | Confident | 66 Ų | 66 | 83.7 Ų | 83.7 | 26% | 0.259 | 45% | 0.448 | S | S | . | . | trans | -61.2 | 135.3 | 173.7 | -65.8 | -86.3 | 0 | 0 | 0 | 111.7 | Y19 P26 H82 R83 | Y19-Y21 AromaticContact CD1-CD1 3.87Å; Y19-Y21 HydrophobicContact CD1-CD1 3.87Å; Y19-Y21 HydrophobicContact CD1-CD2 4.05Å; Y19-Y21 AromaticContact CD1-CE1 3.84Å; Y19-Y21 HydrophobicContact CD1-CE1 3.84Å; Y19-Y21 HydrophobicContact CD1-CE2 4.03Å; Y19-Y21 AromaticContact CD1-CG 3.96Å; Y19-Y21 HydrophobicContact CD1-CG 3.96Å; Y19-Y21 AromaticContact CD1-CZ 3.93Å; Y19-Y21 AromaticContact CE1-CD1 3.88Å; Y19-Y21 HydrophobicContact CE1-CD1 3.88Å; Y19-Y21 HydrophobicContact CE1-CE1 4.11Å; Y19-Y21 HydrophobicContact CE1-CG 4.21Å; Y19-Y21 WeakPolarHBondContact O-CD2 3.29Å; Y19-Y21 PolarHBondContact O-N 3.44Å; Y21-P26 HydrophobicContact CD1-CG 4.05Å; Y21-P26 HydrophobicContact CE1-CG 3.86Å; Y21-H82 HydrophobicContact CD1-CB 4.32Å; Y21-H82 HydrophobicContact CD2-CB 3.64Å; Y21-H82 AromaticContact CD2-CG 3.97Å; Y21-H82 HydrophobicContact CE2-CB 4.04Å; Y21-H82 AromaticContact CE2-CD2 3.62Å; Y21-H82 AromaticContact CE2-CG 3.92Å; Y21-H82 HydrophobicContact CG-CB 3.8Å; Y21-H82 AromaticContact CZ-CD2 3.56Å; Y21-H82 AromaticContact CZ-CG 3.97Å; Y21-H82 AromaticContact CZ-NE2 3.86Å; Y21-R83 WeakPolarHBondContact O-CD 3.49Å; Y21-R83 PolarHBondContact O-NH1 3.33Å; Y21-R83 VanDerWaalsContact O-NH1 3.12Å | ||
| 22 | G | 93.3 | Very high | 86.8 | Confident | 28 Ų | 28 | 86.9 Ų | 86.9 | 29% | 0.289 | 45% | 0.449 | S | S | . | . | trans | -117.5 | -164.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 23 | T | 93.4 | Very high | 88.1 | Confident | 68 Ų | 68 | 87.5 Ų | 87.5 | 42% | 0.417 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -74.3 | -31.4 | 173.7 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | F80 I87 P114 | T23-F80 VanDerWaalsContact O-CE1 3.26Å; T23-F80 WeakPolarHBondContact O-CE1 3.29Å; T23-F80 WeakPolarHBondContact O-CZ 3.22Å; T23-I87 HydrophobicContact CG2-CD1 4.16Å; T23-P114 HydrophobicContact CG2-CG 4.14Å |
| 24 | S | 92.9 | Very high | 89.1 | Confident | 41 Ų | 41 | 89.8 Ų | 89.8 | 29% | 0.287 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -73.5 | 139.5 | 175.3 | -55.5 | 0 | 0 | 0 | 0 | 112 | ||
| 25 | R | 90.6 | Very high | 89.8 | Confident | 113 Ų | 113 | 86.5 Ų | 86.5 | 43% | 0.426 | 42% | 0.419 | S | S | . | . | trans | -59.8 | 138.8 | 173.9 | -75.7 | 166.2 | 167.6 | -165.2 | 6.1 | 110.8 | W27 T28 A31 | R25-W27 VanDerWaalsContact C-N 3.28Å; R25-W27 HydrophobicContact CB-CD2 4.19Å; R25-W27 HydrophobicContact CB-CE3 4.37Å; R25-W27 HydrophobicContact CB-CH2 4.02Å; R25-W27 HydrophobicContact CB-CZ2 3.85Å; R25-W27 HydrophobicContact CB-CZ3 4.29Å; R25-W27 VanDerWaalsContact CD-CZ2 3.45Å; R25-W27 HydrophobicContact CG-CH2 3.97Å; R25-W27 HydrophobicContact CG-CZ2 3.91Å; R25-W27 PolarHBondContact O-N 3.49Å; R25-W27 VanDerWaalsContact O-N 3.11Å; R25-T28 HydrophobicContact CB-CG2 3.85Å; R25-T28 WeakPolarHBondContact O-CB 3.33Å; R25-T28 WeakPolarHBondContact O-CG2 3.19Å; R25-T28 PolarHBondContact O-N 2.87Å; R25-T28 PolarHBondContact O-OG1 3.44Å; R25-A31 WeakPolarHBondContact O-CB 3.43Å | ||
| 26 | P | 89.4 | Confident | 90.2 | Very high | 19 Ų | 19 | 85.5 Ų | 85.5 | 12% | 0.123 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31 | -170 | -31 | 37.4 | 0 | 0 | 0 | 116.5 | F15 Y19 Y21 T28 | F15-P26 HydrophobicContact CD1-CB 4.05Å; F15-P26 HydrophobicContact CE1-CB 3.33Å; F15-P26 HydrophobicContact CE2-CB 3.92Å; F15-P26 HydrophobicContact CZ-CB 3.27Å; F15-P26 HydrophobicContact CZ-CG 4.31Å; Y19-P26 HydrophobicContact CE1-CB 4.01Å; Y19-P26 HydrophobicContact CE1-CG 4Å; Y19-P26 WeakPolarHBondContact OH-CA 3.28Å; Y21-P26 HydrophobicContact CD1-CG 4.05Å; Y21-P26 HydrophobicContact CE1-CG 3.86Å; P26-T28 VanDerWaalsContact C-N 3.32Å; P26-T28 PolarHBondContact O-N 2.92Å |
| 27 | W | 85.6 | Confident | 90.4 | Very high | 122 Ų | 122 | 87.5 Ų | 87.5 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -5.7 | 180 | 56.9 | 92.3 | 0 | 0 | 0 | 114.3 | R25 R162 | R25-W27 VanDerWaalsContact C-N 3.28Å; R25-W27 HydrophobicContact CB-CD2 4.19Å; R25-W27 HydrophobicContact CB-CE3 4.37Å; R25-W27 HydrophobicContact CB-CH2 4.02Å; R25-W27 HydrophobicContact CB-CZ2 3.85Å; R25-W27 HydrophobicContact CB-CZ3 4.29Å; R25-W27 VanDerWaalsContact CD-CZ2 3.45Å; R25-W27 HydrophobicContact CG-CH2 3.97Å; R25-W27 HydrophobicContact CG-CZ2 3.91Å; R25-W27 PolarHBondContact O-N 3.49Å; R25-W27 VanDerWaalsContact O-N 3.11Å; W27-R162 VanDerWaalsContact CH2-NH2 3.3Å |
| 28 | T | 91.1 | Very high | 90.7 | Very high | 45 Ų | 45 | 81 Ų | 81 | 28% | 0.276 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -73.6 | 152.7 | -179.2 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | R25 P26 A30 A31 K32 | R25-T28 HydrophobicContact CB-CG2 3.85Å; R25-T28 WeakPolarHBondContact O-CB 3.33Å; R25-T28 WeakPolarHBondContact O-CG2 3.19Å; R25-T28 PolarHBondContact O-N 2.87Å; R25-T28 PolarHBondContact O-OG1 3.44Å; P26-T28 VanDerWaalsContact C-N 3.32Å; P26-T28 PolarHBondContact O-N 2.92Å; T28-A30 PolarHBondContact O-N 3.45Å; T28-A31 PolarHBondContact O-N 3.33Å; T28-A31 VanDerWaalsContact O-N 3.12Å; T28-A31 WeakPolarHBondContact OG1-CB 3.27Å; T28-A31 PolarHBondContact OG1-N 3.05Å; T28-K32 WeakPolarHBondContact O-CG 3.23Å; T28-K32 PolarHBondContact O-N 3.46Å |
| 29 | I | 92 | Very high | 90.8 | Very high | 149 Ų | 149 | 81.4 Ų | 81.4 | 76% | 0.764 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -57.3 | -40.7 | 176.2 | -62.8 | 168.8 | 0 | 0 | 0 | 110.9 | A31 K32 R33 | I29-A31 PolarHBondContact O-N 2.93Å; I29-K32 PolarHBondContact O-N 3.32Å; I29-R33 WeakPolarHBondContact O-CB 3.33Å; I29-R33 PolarHBondContact O-N 2.92Å |
| 30 | A | 92.2 | Very high | 90.7 | Very high | 52 Ų | 52 | 89.8 Ų | 89.8 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T28 R33 L34 | T28-A30 PolarHBondContact O-N 3.45Å; A30-R33 PolarHBondContact O-N 3.49Å; A30-L34 WeakPolarHBondContact O-CG 3.38Å; A30-L34 PolarHBondContact O-N 3.07Å |
| 31 | A | 91.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 89.4 Ų | 89.4 | 2% | 0.017 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R25 T28 I29 R33 L34 N35 | R25-A31 WeakPolarHBondContact O-CB 3.43Å; T28-A31 PolarHBondContact O-N 3.33Å; T28-A31 VanDerWaalsContact O-N 3.12Å; T28-A31 WeakPolarHBondContact OG1-CB 3.27Å; T28-A31 PolarHBondContact OG1-N 3.05Å; I29-A31 PolarHBondContact O-N 2.93Å; A31-R33 VanDerWaalsContact C-N 3.33Å; A31-R33 PolarHBondContact O-N 3.24Å; A31-L34 PolarHBondContact O-N 3.29Å; A31-N35 WeakPolarHBondContact O-CB 3.39Å; A31-N35 PolarHBondContact O-N 3.33Å |
| 32 | K | 90.7 | Very high | 90.4 | Very high | 133 Ų | 133 | 97.4 Ų | 97.4 | 58% | 0.578 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61 | -39.8 | 174.4 | -69 | -179.5 | -177.5 | -177.4 | 0 | 112.1 | T28 I29 N35 P36 | T28-K32 WeakPolarHBondContact O-CG 3.23Å; T28-K32 PolarHBondContact O-N 3.46Å; I29-K32 PolarHBondContact O-N 3.32Å; K32-N35 CarbonylContact O-C 3.52Å; K32-N35 PolarHBondContact O-N 3.39Å; K32-P36 WeakPolarHBondContact O-CA 3.35Å; K32-P36 VanDerWaalsContact O-N 3.13Å |
| 33 | R | 92.1 | Very high | 90.2 | Very high | 221 Ų | 221 | 102.5 Ų | 102.5 | 83% | 0.834 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.6 | -38.8 | 176 | -173.2 | 177.5 | 179.9 | 178.3 | 1.1 | 112.4 | I29 A30 A31 | I29-R33 WeakPolarHBondContact O-CB 3.33Å; I29-R33 PolarHBondContact O-N 2.92Å; A30-R33 PolarHBondContact O-N 3.49Å; A31-R33 VanDerWaalsContact C-N 3.33Å; A31-R33 PolarHBondContact O-N 3.24Å |
| 34 | L | 91.3 | Very high | 90 | Very high | 97 Ų | 97 | 101.7 Ų | 101.7 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.4 | -37.3 | 177.9 | -72 | 170.9 | 0 | 0 | 0 | 112.6 | A30 A31 P36 R41 | A30-L34 WeakPolarHBondContact O-CG 3.38Å; A30-L34 PolarHBondContact O-N 3.07Å; A31-L34 PolarHBondContact O-N 3.29Å; L34-P36 VanDerWaalsContact C-CD 3.44Å; L34-P36 WeakPolarHBondContact O-CD 3.37Å; L34-R41 PolarHBondContact O-NH2 3.18Å |
| 35 | N | 91.4 | Very high | 90 | Very high | 32 Ų | 32 | 108.4 Ų | 108.4 | 17% | 0.171 | 52% | 0.523 | C | S | . | . | S | Bend | trans | -123 | 69.7 | -176.6 | -63.3 | -36.6 | 0 | 0 | 0 | 110.3 | Y19 R20 A31 K32 | Y19-N35 HydrophobicContact CD2-CB 4.47Å; Y19-N35 HydrophobicContact CE2-CB 3.76Å; Y19-N35 PolarHBondContact OH-ND2 3.38Å; R20-N35 PolarHBondContact O-ND2 3.1Å; A31-N35 WeakPolarHBondContact O-CB 3.39Å; A31-N35 PolarHBondContact O-N 3.33Å; K32-N35 CarbonylContact O-C 3.52Å; K32-N35 PolarHBondContact O-N 3.39Å |
| 36 | P | 90.7 | Very high | 90.1 | Very high | 56 Ų | 56 | 106.3 Ų | 106.3 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | trans | -66.6 | 150.5 | 175 | 27.8 | -33.3 | 0 | 0 | 0 | 110.4 | K32 L34 G38 K39 | K32-P36 WeakPolarHBondContact O-CA 3.35Å; K32-P36 VanDerWaalsContact O-N 3.13Å; L34-P36 VanDerWaalsContact C-CD 3.44Å; L34-P36 WeakPolarHBondContact O-CD 3.37Å; P36-G38 PolarHBondContact O-N 3.1Å; P36-K39 HydrophobicContact CG-CB 4.02Å; P36-K39 HydrophobicContact CG-CD 4.02Å; P36-K39 WeakPolarHBondContact O-CB 3.23Å; P36-K39 PolarHBondContact O-N 3.39Å | ||
| 37 | P | 87.9 | Confident | 90.2 | Very high | 133 Ų | 133 | 109.3 Ų | 109.3 | 86% | 0.864 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 140.1 | 174.3 | -25.3 | 34.3 | 0 | 0 | 0 | 111.8 | K39 | P37-K39 VanDerWaalsContact C-N 3.29Å; P37-K39 PolarHBondContact O-N 3.34Å |
| 38 | G | 87.3 | Confident | 90.6 | Very high | 78 Ų | 78 | 109.8 Ų | 109.8 | 80% | 0.804 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84 | -15.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P36 K40 | P36-G38 PolarHBondContact O-N 3.1Å; G38-K40 PolarHBondContact O-N 2.98Å; G38-K40 VanDerWaalsContact O-N 3.09Å |
| 39 | K | 88.6 | Confident | 90.7 | Very high | 120 Ų | 120 | 110.7 Ų | 110.7 | 52% | 0.522 | 55% | 0.553 | S | S | . | * | trans | -71.7 | 105.6 | 177.1 | -172.8 | 171.6 | -170.4 | 167.1 | 0 | 111.4 | P36 P37 R41 | P36-K39 HydrophobicContact CG-CB 4.02Å; P36-K39 HydrophobicContact CG-CD 4.02Å; P36-K39 WeakPolarHBondContact O-CB 3.23Å; P36-K39 PolarHBondContact O-N 3.39Å; P37-K39 VanDerWaalsContact C-N 3.29Å; P37-K39 PolarHBondContact O-N 3.34Å; K39-R41 HydrophobicContact CG-CG 4.46Å | ||
| 40 | K | 86.7 | Confident | 90.8 | Very high | 206 Ų | 206 | 105.6 Ų | 105.6 | 90% | 0.896 | 53% | 0.533 | S | S | * | . | trans | -83.2 | 134.9 | 173.4 | -61.9 | -176.7 | -178.1 | 179.7 | 0 | 110.4 | G38 | G38-K40 PolarHBondContact O-N 2.98Å; G38-K40 VanDerWaalsContact O-N 3.09Å | ||
| 41 | R | 87.8 | Confident | 90.7 | Very high | 96 Ų | 96 | 111.1 Ų | 111.1 | 36% | 0.362 | 54% | 0.544 | S | S | . | . | trans | -131.2 | 157.2 | 173.6 | -62.5 | -172 | -173.9 | -148.7 | 6 | 108.7 | L34 K39 K43 | L34-R41 PolarHBondContact O-NH2 3.18Å; K39-R41 HydrophobicContact CG-CG 4.46Å; R41-K43 PolarHBondContact O-N 3.38Å | ||
| 42 | R | 91.1 | Very high | 90.7 | Very high | 234 Ų | 234 | 116.4 Ų | 116.4 | 88% | 0.883 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 135.1 | 168.6 | -66.6 | -175.9 | 179 | 179.8 | -0.8 | 109.5 | ||
| 43 | K | 88.9 | Confident | 90.8 | Very high | 136 Ų | 136 | 114.8 Ų | 114.8 | 59% | 0.591 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -64 | 136.9 | 176.1 | -173 | 173.1 | 179.9 | 176.8 | 0 | 109.4 | R41 | R41-K43 PolarHBondContact O-N 3.38Š|
| 44 | V | 90.8 | Very high | 90.9 | Very high | 50 Ų | 50 | 104.6 Ų | 104.6 | 30% | 0.303 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 116.4 | 171.4 | -177.1 | 0 | 0 | 0 | 0 | 106.6 | I46 | V44-I46 HydrophobicContact CG1-CD1 4.4Å; V44-I46 HydrophobicContact CG1-CG1 4.18Å |
| 45 | F | 91.9 | Very high | 91 | Very high | 183 Ų | 183 | 101.4 Ų | 101.4 | 80% | 0.803 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 130.7 | 173.6 | -65.6 | -83.2 | 0 | 0 | 0 | 109.1 | ||
| 46 | I | 92.5 | Very high | 91.2 | Very high | 68 Ų | 68 | 100.1 Ų | 100.1 | 35% | 0.349 | 51% | 0.507 | S | S | . | . | trans | -131.9 | 144.8 | -177.3 | -63.8 | 139.2 | 0 | 0 | 0 | 106.1 | V44 H82 R83 N84 | V44-I46 HydrophobicContact CG1-CD1 4.4Å; V44-I46 HydrophobicContact CG1-CG1 4.18Å; I46-H82 WeakPolarHBondContact CD1-O 3.33Å; I46-R83 HydrophobicContact CD1-CB 4.4Å; I46-R83 HydrophobicContact CD1-CG 4.08Å; I46-N84 HydrophobicContact CG2-CB 4.28Å; I46-N84 VanDerWaalsContact CG2-ND2 3.28Å; I46-N84 WeakPolarHBondContact CG2-ND2 3.07Å | ||
| 47 | E | 91.9 | Very high | 91.5 | Very high | 82 Ų | 82 | 99.3 Ų | 99.3 | 38% | 0.383 | 50% | 0.498 | S | S | . | . | trans | -66 | 127.2 | 176 | -69.6 | 155.9 | -156.5 | 0 | 0 | 110.5 | I49 N84 R118 | E47-I49 PolarHBondContact O-N 3Å; E47-N84 PolarHBondContact O-ND2 3.25Å; E47-R118 VanDerWaalsContact CD-NE 3.25Å; E47-R118 IonicContact OE1-CZ 3.59Å; E47-R118 IonicContact OE1-NE 3.76Å; E47-R118 PolarHBondContact OE1-NE 3.21Å; E47-R118 VanDerWaalsContact OE1-NE 3.1Å; E47-R118 IonicContact OE1-NH1 3.52Å; E47-R118 PolarHBondContact OE1-NH1 2.84Å; E47-R118 IonicContact OE1-NH2 2.87Å; E47-R118 PolarHBondContact OE1-NH2 2.67Å; E47-R118 IonicContact OE2-CZ 3.19Å; E47-R118 IonicContact OE2-NE 3.65Å; E47-R118 PolarHBondContact OE2-NE 2.81Å; E47-R118 IonicContact OE2-NH2 2.77Å; E47-R118 PolarHBondContact OE2-NH2 3.16Å | ||
| 48 | P | 93.4 | Very high | 91.8 | Very high | 133 Ų | 133 | 98 Ų | 98 | 86% | 0.864 | 48% | 0.479 | S | S | * | . | trans | -70 | 117.5 | 175.9 | 29.1 | -32 | 0 | 0 | 0 | 108.8 | ||||
| 49 | I | 93.6 | Very high | 92.2 | Very high | 63 Ų | 63 | 95.8 Ų | 95.8 | 32% | 0.323 | 46% | 0.455 | S | S | . | . | trans | -112.8 | 127.1 | 170.6 | -58.2 | 174.6 | 0 | 0 | 0 | 106.6 | E47 D53 W54 N84 I117 | E47-I49 PolarHBondContact O-N 3Å; I49-D53 HydrophobicContact CG2-CB 4.38Å; I49-W54 HydrophobicContact CB-CE3 4.34Å; I49-W54 HydrophobicContact CD1-CE3 4.19Å; I49-W54 HydrophobicContact CD1-CZ3 3.98Å; I49-W54 HydrophobicContact CG2-CB 4.47Å; I49-W54 HydrophobicContact CG2-CE3 4.04Å; I49-N84 HydrophobicContact CD1-CB 4.5Å; I49-N84 WeakPolarHBondContact CD1-ND2 3.39Å; I49-I117 HydrophobicContact CD1-CG2 4.03Å | ||
| 50 | A | 93.9 | Very high | 92.6 | Very high | 43 Ų | 43 | 90.5 Ų | 90.5 | 36% | 0.355 | 43% | 0.433 | S | S | . | . | trans | -62.2 | 164.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E52 D53 R81 | A50-E52 PolarHBondContact O-N 3.18Å; A50-D53 HydrophobicContact CB-CB 4.42Å; A50-D53 WeakPolarHBondContact CB-OD2 3.38Å; A50-R81 PolarHBondContact O-NH2 3.07Å | ||
| 51 | Y | 91.2 | Very high | 93 | Very high | 168 Ų | 168 | 83.4 Ų | 83.4 | 66% | 0.659 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -40.5 | -179.1 | -173.9 | -85.3 | 0 | 0 | 0 | 110.6 | R81 | Y51-R81 PolarHBondContact O-NH1 2.88Å; Y51-R81 PolarHBondContact O-NH2 3.41Å |
| 52 | E | 91.3 | Very high | 93.5 | Very high | 112 Ų | 112 | 78.9 Ų | 78.9 | 52% | 0.523 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -26.3 | -170.1 | -63 | 70.1 | -149.1 | 0 | 0 | 113.7 | A50 W135 K143 | A50-E52 PolarHBondContact O-N 3.18Å; E52-W135 PolarHBondContact O-NE1 3.22Å; E52-K143 PolarHBondContact O-NZ 2.92Å |
| 53 | D | 92.1 | Very high | 93.8 | Very high | 99 Ų | 99 | 69.1 Ų | 69.1 | 53% | 0.529 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -14.7 | -176 | -62.6 | -24.8 | 0 | 0 | 0 | 112.5 | I49 A50 S55 W135 | I49-D53 HydrophobicContact CG2-CB 4.38Å; A50-D53 HydrophobicContact CB-CB 4.42Å; A50-D53 WeakPolarHBondContact CB-OD2 3.38Å; D53-S55 PolarHBondContact O-N 2.82Å; D53-S55 VanDerWaalsContact O-N 3.13Å; D53-W135 PolarHBondContact O-NE1 3.2Å |
| 54 | W | 95.1 | Very high | 94.2 | Very high | 7 Ų | 7 | 62.8 Ų | 62.8 | 3% | 0.027 | 33% | 0.327 | C | S | . | . | trans | -67.3 | 113.9 | -176.2 | -177.4 | -82.2 | 0 | 0 | 0 | 112.1 | I49 V56 V79 R81 N84 V86 I117 W135 | I49-W54 HydrophobicContact CB-CE3 4.34Å; I49-W54 HydrophobicContact CD1-CE3 4.19Å; I49-W54 HydrophobicContact CD1-CZ3 3.98Å; I49-W54 HydrophobicContact CG2-CB 4.47Å; I49-W54 HydrophobicContact CG2-CE3 4.04Å; W54-V56 PolarHBondContact NE1-O 3.4Å; W54-V79 HydrophobicContact CH2-CG1 4.33Å; W54-V79 HydrophobicContact CZ2-CG1 3.35Å; W54-R81 HydrophobicContact CD2-CG 4.47Å; W54-N84 HydrophobicContact CH2-CB 4.35Å; W54-N84 HydrophobicContact CZ3-CB 4.17Å; W54-V86 HydrophobicContact CZ2-CG2 4.46Å; W54-I117 HydrophobicContact CD2-CD1 4.15Å; W54-I117 HydrophobicContact CE3-CD1 4.04Å; W54-I117 HydrophobicContact CH2-CB 4.26Å; W54-I117 HydrophobicContact CH2-CD1 3.51Å; W54-I117 HydrophobicContact CH2-CG1 4.44Å; W54-I117 HydrophobicContact CZ2-CD1 3.62Å; W54-I117 HydrophobicContact CZ3-CD1 3.75Å; W54-W135 WeakPolarHBondContact O-CZ2 3.4Å | ||
| 55 | S | 93.8 | Very high | 94.5 | Very high | 30 Ų | 30 | 63.9 Ų | 63.9 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | trans | -92.9 | -18.8 | -168.8 | 57.9 | 0 | 0 | 0 | 0 | 115.2 | D53 R145 | D53-S55 PolarHBondContact O-N 2.82Å; D53-S55 VanDerWaalsContact O-N 3.13Å; S55-R145 VanDerWaalsContact O-CD 3.3Å; S55-R145 WeakPolarHBondContact O-CD 3.26Å; S55-R145 PolarHBondContact O-NH1 3.38Å | ||
| 56 | V | 95.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | trans | -106.2 | 121.8 | -170 | -178.9 | 0 | 0 | 0 | 0 | 112.7 | W54 V62 V76 V86 I117 L122 | W54-V56 PolarHBondContact NE1-O 3.4Å; V56-V62 HydrophobicContact CG1-CG1 4.32Å; V56-V76 HydrophobicContact CG1-CG2 3.83Å; V56-V86 HydrophobicContact CG1-CG2 4.48Å; V56-I117 HydrophobicContact CB-CD1 4.3Å; V56-I117 HydrophobicContact CG2-CD1 4Å; V56-I117 HydrophobicContact CG2-CG1 4.21Å; V56-L122 HydrophobicContact CG2-CD1 4.4Å; V56-L122 HydrophobicContact CG2-CD2 4.46Å; V56-L122 HydrophobicContact CG2-CG 4.25Å | ||
| 57 | F | 95.5 | Very high | 94.7 | Very high | 38 Ų | 38 | 56.6 Ų | 56.6 | 17% | 0.167 | 32% | 0.317 | C | S | . | . | trans | -112.8 | 163.4 | 180 | -59.3 | -75.4 | 0 | 0 | 0 | 112.7 | G59 D60 V76 W135 K156 P157 | F57-G59 PolarHBondContact O-N 2.84Å; F57-D60 WeakPolarHBondContact CA-OD2 3.3Å; F57-D60 PolarHBondContact N-OD2 3.02Å; F57-D60 WeakPolarHBondContact O-CB 3.37Å; F57-D60 PolarHBondContact O-N 3.19Å; F57-V76 WeakPolarHBondContact O-CB 3.47Å; F57-W135 AromaticContact CE2-CH2 3.91Å; F57-W135 HydrophobicContact CE2-CH2 3.91Å; F57-W135 HydrophobicContact CE2-CZ2 4.05Å; F57-W135 HydrophobicContact CZ-CH2 4.04Å; F57-W135 HydrophobicContact CZ-CZ2 4.07Å; F57-K156 HydrophobicContact CD2-CG 4.27Å; F57-K156 HydrophobicContact CG-CG 4.5Å; F57-P157 HydrophobicContact CB-CG 4.35Å | ||
| 58 | K | 95.4 | Very high | 94.8 | Very high | 107 Ų | 107 | 60 Ų | 60 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 130.1 | 172.7 | -179.7 | 176.9 | 176.1 | 176.7 | 0 | 109.5 | A77 P157 | K58-A77 VanDerWaalsContact CD-O 3.32Å; K58-A77 WeakPolarHBondContact CD-O 3.11Å; K58-A77 WeakPolarHBondContact CE-O 3.48Å; K58-A77 WeakPolarHBondContact CG-O 3.16Å; K58-P157 VanDerWaalsContact O-CG 3.27Å; K58-P157 WeakPolarHBondContact O-CG 3.37Å |
| 59 | G | 95.4 | Very high | 94.9 | Very high | 30 Ų | 30 | 54.3 Ų | 54.3 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | -7.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F57 V76 | F57-G59 PolarHBondContact O-N 2.84Å; G59-V76 PolarHBondContact N-O 2.87Å |
| 60 | D | 96.3 | Very high | 95 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | trans | -66.1 | 150.3 | 173.6 | -79.7 | -40 | 0 | 0 | 0 | 110.7 | F57 V62 K75 V76 L122 R145 P157 | F57-D60 WeakPolarHBondContact CA-OD2 3.3Å; F57-D60 PolarHBondContact N-OD2 3.02Å; F57-D60 WeakPolarHBondContact O-CB 3.37Å; F57-D60 PolarHBondContact O-N 3.19Å; D60-V62 HydrophobicContact CB-CG1 4.36Å; D60-K75 CarbonylContact O-C 3.55Å; D60-K75 WeakPolarHBondContact O-CA 3.16Å; D60-V76 HydrophobicContact CB-CG2 4.28Å; D60-V76 WeakPolarHBondContact O-CG2 3.35Å; D60-V76 PolarHBondContact O-N 2.8Å; D60-L122 HydrophobicContact CB-CD2 3.85Å; D60-R145 IonicContact OD1-CZ 2.7Å; D60-R145 IonicContact OD1-NH1 2.74Å; D60-R145 PolarHBondContact OD1-NH1 3.17Å; D60-R145 IonicContact OD1-NH2 2.73Å; D60-R145 PolarHBondContact OD1-NH2 3.32Å; D60-R145 IonicContact OD2-CZ 2.61Å; D60-R145 IonicContact OD2-NH1 2.69Å; D60-R145 PolarHBondContact OD2-NH1 3.49Å; D60-R145 IonicContact OD2-NH2 3.05Å; D60-P157 WeakPolarHBondContact OD1-CD 3.11Å; D60-P157 WeakPolarHBondContact OD1-CG 3.4Å | ||
| 61 | T | 95.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 58.6 Ų | 58.6 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.1 | 170 | -54.9 | 0 | 0 | 0 | 0 | 108.8 | V123 | T61-V123 HydrophobicContact CG2-CB 4.38Å; T61-V123 PolarHBondContact O-N 3.45Å; T61-V123 VanDerWaalsContact O-N 3.15Å |
| 62 | V | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 155.6 | -174.1 | -61 | 0 | 0 | 0 | 0 | 110.9 | V56 D60 Q73 G74 V76 L88 I120 S121 L122 | V56-V62 HydrophobicContact CG1-CG1 4.32Å; D60-V62 HydrophobicContact CB-CG1 4.36Å; V62-Q73 CarbonylContact O-C 3.57Å; V62-Q73 VanDerWaalsContact O-CA 3.28Å; V62-Q73 WeakPolarHBondContact O-CA 3.3Å; V62-G74 PolarHBondContact N-O 3.19Å; V62-G74 PolarHBondContact O-N 2.8Å; V62-V76 HydrophobicContact CG1-CG2 3.87Å; V62-V76 HydrophobicContact CG2-CG2 3.85Å; V62-L88 HydrophobicContact CG2-CD1 3.84Å; V62-L88 HydrophobicContact CG2-CD2 3.28Å; V62-L88 HydrophobicContact CG2-CG 4.21Å; V62-I120 HydrophobicContact CB-CG2 3.32Å; V62-I120 HydrophobicContact CG1-CG2 3.85Å; V62-I120 HydrophobicContact CG2-CG2 3.45Å; V62-I120 VanDerWaalsContact CG2-CG2 3.45Å; V62-S121 CarbonylContact C-O 3.56Å; V62-S121 VanDerWaalsContact CA-O 3.25Å; V62-S121 WeakPolarHBondContact CA-O 3.25Å; V62-S121 WeakPolarHBondContact CB-O 3.34Å; V62-L122 HydrophobicContact CG1-CD2 3.81Å; V62-L122 HydrophobicContact CG1-CG 4.44Å |
| 63 | E | 97.2 | Very high | 95.6 | Very high | 30 Ų | 30 | 54.3 Ų | 54.3 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 139.5 | 177 | -167 | 171.7 | 134.8 | 0 | 0 | 110.7 | Q73 I120 S121 V123 P130 | E63-Q73 HydrophobicContact CB-CG 3.98Å; E63-Q73 HydrophobicContact CG-CG 3.92Å; E63-Q73 PolarHBondContact OE2-NE2 2.52Å; E63-I120 CarbonylContact O-C 3.52Å; E63-I120 WeakPolarHBondContact O-CA 2.98Å; E63-S121 PolarHBondContact N-O 3.18Å; E63-S121 PolarHBondContact O-N 2.86Å; E63-V123 HydrophobicContact CB-CG2 3.87Å; E63-P130 HydrophobicContact CB-CB 4.25Å; E63-P130 WeakPolarHBondContact OE2-CD 3.49Å |
| 64 | I | 97.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 121.6 | 177.9 | -60.5 | 174.5 | 0 | 0 | 0 | 109.7 | S66 D69 G71 K72 L88 L91 L115 | I64-S66 WeakPolarHBondContact CG2-O 3.36Å; I64-D69 HydrophobicContact CD1-CB 3.8Å; I64-G71 PolarHBondContact O-N 3.41Å; I64-K72 PolarHBondContact N-O 3.48Å; I64-K72 VanDerWaalsContact N-O 3.08Å; I64-L88 HydrophobicContact CD1-CD1 3.89Å; I64-L88 HydrophobicContact CG1-CD1 3.62Å; I64-L91 HydrophobicContact CD1-CB 3.91Å; I64-L91 HydrophobicContact CD1-CD1 3.9Å; I64-L91 HydrophobicContact CD1-CG 4.48Å; I64-L115 HydrophobicContact CD1-CD1 3.95Å; I64-L115 HydrophobicContact CG1-CD1 3.97Å; I64-L115 HydrophobicContact CG2-CD1 4.42Å |
| 65 | L | 96.9 | Very high | 95.9 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 38% | 0.382 | 30% | 0.303 | S | S | . | . | trans | -85.6 | -31.3 | 179.1 | -60.1 | 178 | 0 | 0 | 0 | 112.9 | K70 D119 | L65-K70 WeakPolarHBondContact O-CD 3.33Å; L65-K70 WeakPolarHBondContact O-CE 2.98Å; L65-K70 WeakPolarHBondContact O-CG 3.4Å; L65-D119 PolarHBondContact N-O 3.35Å | ||
| 66 | S | 95.2 | Very high | 96.1 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -140.3 | 153.4 | -174.5 | 82.9 | 0 | 0 | 0 | 0 | 112.1 | I64 D119 | I64-S66 WeakPolarHBondContact CG2-O 3.36Å; S66-D119 WeakPolarHBondContact OG-CB 3.33Å; S66-D119 PolarHBondContact OG-OD1 3.09Å |
| 67 | G | 93.9 | Very high | 96.1 | Very high | 55 Ų | 55 | 55.1 Ų | 55.1 | 57% | 0.567 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 102.3 | -166 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | D69 K70 | G67-D69 VanDerWaalsContact C-N 3.33Å; G67-D69 PolarHBondContact O-N 2.83Å; G67-K70 PolarHBondContact O-N 3.38Å |
| 68 | K | 93.2 | Very high | 96 | Very high | 153 Ų | 153 | 56.8 Ų | 56.8 | 67% | 0.665 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -38 | -170.4 | -178.9 | -177.9 | 173.2 | -172.2 | 0 | 113.5 | ||
| 69 | D | 95.6 | Very high | 96.1 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.08 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 32.1 | -174 | -72.6 | -49.2 | 0 | 0 | 0 | 112.2 | I64 G67 G71 K72 N92 | I64-D69 HydrophobicContact CD1-CB 3.8Å; G67-D69 VanDerWaalsContact C-N 3.33Å; G67-D69 PolarHBondContact O-N 2.83Å; D69-G71 PolarHBondContact O-N 2.93Å; D69-K72 HydrophobicContact CB-CD 4.03Å; D69-K72 WeakPolarHBondContact O-CB 3.26Å; D69-K72 PolarHBondContact O-N 3.11Å; D69-K72 VanDerWaalsContact O-N 3.15Å; D69-K72 IonicContact OD1-NZ 3.42Å; D69-K72 PolarHBondContact OD1-NZ 3.21Å; D69-N92 WeakPolarHBondContact OD2-CA 3.41Å; D69-N92 PolarHBondContact OD2-N 2.7Å |
| 70 | K | 96.3 | Very high | 96.1 | Very high | 152 Ų | 152 | 53.4 Ų | 53.4 | 66% | 0.661 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 135.7 | 179.6 | 178.5 | 174.6 | 179.8 | 176.7 | 0 | 112.2 | L65 G67 K72 | L65-K70 WeakPolarHBondContact O-CD 3.33Å; L65-K70 WeakPolarHBondContact O-CE 2.98Å; L65-K70 WeakPolarHBondContact O-CG 3.4Å; G67-K70 PolarHBondContact O-N 3.38Å; K70-K72 PolarHBondContact O-N 2.86Å |
| 71 | G | 95.9 | Very high | 96 | Very high | 44 Ų | 44 | 56.2 Ų | 56.2 | 45% | 0.454 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -5.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | I64 D69 | I64-G71 PolarHBondContact O-N 3.41Å; D69-G71 PolarHBondContact O-N 2.93Å |
| 72 | K | 97 | Very high | 95.8 | Very high | 107 Ų | 107 | 58.9 Ų | 58.9 | 47% | 0.465 | 31% | 0.306 | S | S | . | . | trans | -81.9 | 144.2 | 172.9 | -62.5 | -175.4 | -173.3 | 165.1 | 0 | 110.5 | I64 D69 K70 L91 | I64-K72 PolarHBondContact N-O 3.48Å; I64-K72 VanDerWaalsContact N-O 3.08Å; D69-K72 HydrophobicContact CB-CD 4.03Å; D69-K72 WeakPolarHBondContact O-CB 3.26Å; D69-K72 PolarHBondContact O-N 3.11Å; D69-K72 VanDerWaalsContact O-N 3.15Å; D69-K72 IonicContact OD1-NZ 3.42Å; D69-K72 PolarHBondContact OD1-NZ 3.21Å; K70-K72 PolarHBondContact O-N 2.86Å; K72-L91 HydrophobicContact CB-CD1 4.2Å; K72-L91 HydrophobicContact CB-CD2 4.09Å; K72-L91 HydrophobicContact CD-CD2 3.91Å | ||
| 73 | Q | 97 | Very high | 95.6 | Very high | 82 Ų | 82 | 60.5 Ų | 60.5 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.6 | 175.8 | -63.6 | -179.8 | -2.8 | 0 | 0 | 110.3 | V62 E63 V123 R128 | V62-Q73 CarbonylContact O-C 3.57Å; V62-Q73 VanDerWaalsContact O-CA 3.28Å; V62-Q73 WeakPolarHBondContact O-CA 3.3Å; E63-Q73 HydrophobicContact CB-CG 3.98Å; E63-Q73 HydrophobicContact CG-CG 3.92Å; E63-Q73 PolarHBondContact OE2-NE2 2.52Å; Q73-V123 HydrophobicContact CG-CG2 4.04Å; Q73-R128 PolarHBondContact NE2-O 3.43Å |
| 74 | G | 95.9 | Very high | 95.6 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 11% | 0.113 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 164.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V62 | V62-G74 PolarHBondContact N-O 3.19Å; V62-G74 PolarHBondContact O-N 2.8Å |
| 75 | K | 96.7 | Very high | 95.5 | Very high | 126 Ų | 126 | 61.6 Ų | 61.6 | 55% | 0.548 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 144 | 176 | -69.3 | -174.9 | 179.7 | -179.1 | 0 | 110.7 | D60 A77 L88 D89 | D60-K75 CarbonylContact O-C 3.55Å; D60-K75 WeakPolarHBondContact O-CA 3.16Å; K75-A77 PolarHBondContact O-N 3.3Å; K75-L88 CarbonylContact O-C 3.2Å; K75-L88 VanDerWaalsContact O-CA 3.31Å; K75-L88 WeakPolarHBondContact O-CA 3.27Å; K75-D89 PolarHBondContact O-N 2.98Å |
| 76 | V | 97.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 111.6 | 177.2 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | V56 F57 G59 D60 V62 V79 V86 L88 | V56-V76 HydrophobicContact CG1-CG2 3.83Å; F57-V76 WeakPolarHBondContact O-CB 3.47Å; G59-V76 PolarHBondContact N-O 2.87Å; D60-V76 HydrophobicContact CB-CG2 4.28Å; D60-V76 WeakPolarHBondContact O-CG2 3.35Å; D60-V76 PolarHBondContact O-N 2.8Å; V62-V76 HydrophobicContact CG1-CG2 3.87Å; V62-V76 HydrophobicContact CG2-CG2 3.85Å; V76-V79 HydrophobicContact CG1-CG2 3.58Å; V76-V86 HydrophobicContact CB-CG1 4.32Å; V76-V86 HydrophobicContact CG1-CG1 3.57Å; V76-V86 HydrophobicContact CG2-CG1 3.88Å; V76-L88 HydrophobicContact CB-CD2 4.36Å; V76-L88 HydrophobicContact CG2-CD2 3.73Å |
| 77 | A | 95.7 | Very high | 95.7 | Very high | 20 Ų | 20 | 56.8 Ų | 56.8 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -47.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | K58 K75 I87 D89 | K58-A77 VanDerWaalsContact CD-O 3.32Å; K58-A77 WeakPolarHBondContact CD-O 3.11Å; K58-A77 WeakPolarHBondContact CE-O 3.48Å; K58-A77 WeakPolarHBondContact CG-O 3.16Å; K75-A77 PolarHBondContact O-N 3.3Å; A77-I87 HydrophobicContact CB-CG2 4.27Å; A77-I87 WeakPolarHBondContact CB-O 3.49Å; A77-I87 PolarHBondContact N-O 3.14Å; A77-D89 WeakPolarHBondContact CB-OD1 3.46Å |
| 78 | Q | 94.9 | Very high | 95.8 | Very high | 74 Ų | 74 | 54.2 Ų | 54.2 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 144.8 | -174.2 | -164.7 | 175.4 | -4.4 | 0 | 0 | 111.6 | F80 I87 | Q78-F80 HydrophobicContact CB-CE2 4.04Å; Q78-F80 HydrophobicContact CG-CD2 4.35Å; Q78-F80 HydrophobicContact CG-CE2 3.69Å; Q78-F80 HydrophobicContact CG-CZ 3.88Å; Q78-I87 HydrophobicContact CB-CB 4.42Å; Q78-I87 PolarHBondContact N-O 3.15Å; Q78-I87 PolarHBondContact O-N 3.38Å |
| 79 | V | 96.1 | Very high | 96 | Very high | 40 Ų | 40 | 51 Ų | 51 | 24% | 0.242 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.4 | 178.9 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | W54 V76 R81 | W54-V79 HydrophobicContact CH2-CG1 4.33Å; W54-V79 HydrophobicContact CZ2-CG1 3.35Å; V76-V79 HydrophobicContact CG1-CG2 3.58Å; V79-R81 HydrophobicContact CG1-CG 4.24Å |
| 80 | F | 95.4 | Very high | 96 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 88.8 | 179.4 | -61.1 | -97.2 | 0 | 0 | 0 | 110.2 | T23 Q78 H82 R83 N84 W85 I87 | T23-F80 VanDerWaalsContact O-CE1 3.26Å; T23-F80 WeakPolarHBondContact O-CE1 3.29Å; T23-F80 WeakPolarHBondContact O-CZ 3.22Å; Q78-F80 HydrophobicContact CB-CE2 4.04Å; Q78-F80 HydrophobicContact CG-CD2 4.35Å; Q78-F80 HydrophobicContact CG-CE2 3.69Å; Q78-F80 HydrophobicContact CG-CZ 3.88Å; F80-H82 VanDerWaalsContact C-N 3.28Å; F80-H82 PolarHBondContact O-N 3.24Å; F80-R83 PolarHBondContact O-N 2.85Å; F80-N84 PolarHBondContact O-N 3.35Å; F80-N84 VanDerWaalsContact O-N 3.13Å; F80-W85 HydrophobicContact CB-CB 3.92Å; F80-W85 HydrophobicContact CD2-CB 4.32Å; F80-W85 HydrophobicContact CG-CB 4.49Å; F80-W85 PolarHBondContact N-O 3.3Å; F80-W85 PolarHBondContact O-N 2.98Å; F80-I87 HydrophobicContact CE2-CD1 3.52Å; F80-I87 HydrophobicContact CE2-CG1 3.89Å; F80-I87 HydrophobicContact CZ-CD1 4.1Å |
| 81 | R | 93.8 | Very high | 96 | Very high | 69 Ų | 69 | 46.7 Ų | 46.7 | 26% | 0.26 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -60.9 | -33.8 | -177.7 | -58.4 | -169.5 | 70.2 | 154.2 | 6.2 | 113.9 | A50 Y51 W54 V79 R83 N84 | A50-R81 PolarHBondContact O-NH2 3.07Å; Y51-R81 PolarHBondContact O-NH1 2.88Å; Y51-R81 PolarHBondContact O-NH2 3.41Å; W54-R81 HydrophobicContact CD2-CG 4.47Å; V79-R81 HydrophobicContact CG1-CG 4.24Å; R81-R83 PolarHBondContact O-N 2.82Å; R81-N84 PolarHBondContact O-N 2.91Å; R81-N84 PolarHBondContact O-OD1 2.61Å |
| 82 | H | 92.3 | Very high | 96 | Very high | 114 Ų | 114 | 46.1 Ų | 46.1 | 53% | 0.528 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -61.1 | -16.1 | 178.9 | -57.6 | 89.8 | 0 | 0 | 0 | 114.5 | Y21 I46 F80 | Y21-H82 HydrophobicContact CD1-CB 4.32Å; Y21-H82 HydrophobicContact CD2-CB 3.64Å; Y21-H82 AromaticContact CD2-CG 3.97Å; Y21-H82 HydrophobicContact CE2-CB 4.04Å; Y21-H82 AromaticContact CE2-CD2 3.62Å; Y21-H82 AromaticContact CE2-CG 3.92Å; Y21-H82 HydrophobicContact CG-CB 3.8Å; Y21-H82 AromaticContact CZ-CD2 3.56Å; Y21-H82 AromaticContact CZ-CG 3.97Å; Y21-H82 AromaticContact CZ-NE2 3.86Å; I46-H82 WeakPolarHBondContact CD1-O 3.33Å; F80-H82 VanDerWaalsContact C-N 3.28Å; F80-H82 PolarHBondContact O-N 3.24Å |
| 83 | R | 93.9 | Very high | 96 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 13% | 0.128 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -133.8 | 9.2 | -179.5 | -64.5 | -158.6 | 62.9 | -170.6 | -10.6 | 113.3 | Y21 I46 F80 R81 W85 | Y21-R83 WeakPolarHBondContact O-CD 3.49Å; Y21-R83 PolarHBondContact O-NH1 3.33Å; Y21-R83 VanDerWaalsContact O-NH1 3.12Å; I46-R83 HydrophobicContact CD1-CB 4.4Å; I46-R83 HydrophobicContact CD1-CG 4.08Å; F80-R83 PolarHBondContact O-N 2.85Å; R81-R83 PolarHBondContact O-N 2.82Å; R83-W85 HydrophobicContact CB-CB 4.44Å; R83-W85 HydrophobicContact CB-CD2 3.75Å; R83-W85 HydrophobicContact CB-CE3 3.97Å; R83-W85 HydrophobicContact CB-CG 3.95Å; R83-W85 HydrophobicContact CG-CE3 4.45Å; R83-W85 PolarHBondContact O-N 3.46Å |
| 84 | N | 96.4 | Very high | 95.9 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 37.6 | -171.8 | -57 | -13.2 | 0 | 0 | 0 | 112.9 | I46 E47 I49 W54 F80 R81 L116 I117 | I46-N84 HydrophobicContact CG2-CB 4.28Å; I46-N84 VanDerWaalsContact CG2-ND2 3.28Å; I46-N84 WeakPolarHBondContact CG2-ND2 3.07Å; E47-N84 PolarHBondContact O-ND2 3.25Å; I49-N84 HydrophobicContact CD1-CB 4.5Å; I49-N84 WeakPolarHBondContact CD1-ND2 3.39Å; W54-N84 HydrophobicContact CH2-CB 4.35Å; W54-N84 HydrophobicContact CZ3-CB 4.17Å; F80-N84 PolarHBondContact O-N 3.35Å; F80-N84 VanDerWaalsContact O-N 3.13Å; R81-N84 PolarHBondContact O-N 2.91Å; R81-N84 PolarHBondContact O-OD1 2.61Å; N84-L116 WeakPolarHBondContact O-CA 3.44Å; N84-I117 HydrophobicContact CB-CG2 4.07Å; N84-I117 PolarHBondContact O-N 3.36Å |
| 85 | W | 96.8 | Very high | 95.9 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 16% | 0.163 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 144.3 | -176.9 | -79.6 | -16.4 | 0 | 0 | 0 | 112.2 | F80 R83 P114 L115 | F80-W85 HydrophobicContact CB-CB 3.92Å; F80-W85 HydrophobicContact CD2-CB 4.32Å; F80-W85 HydrophobicContact CG-CB 4.49Å; F80-W85 PolarHBondContact N-O 3.3Å; F80-W85 PolarHBondContact O-N 2.98Å; R83-W85 HydrophobicContact CB-CB 4.44Å; R83-W85 HydrophobicContact CB-CD2 3.75Å; R83-W85 HydrophobicContact CB-CE3 3.97Å; R83-W85 HydrophobicContact CB-CG 3.95Å; R83-W85 HydrophobicContact CG-CE3 4.45Å; R83-W85 PolarHBondContact O-N 3.46Å; W85-P114 HydrophobicContact CB-CB 3.93Å; W85-P114 HydrophobicContact CD2-CB 3.8Å; W85-P114 HydrophobicContact CD2-CG 3.99Å; W85-P114 HydrophobicContact CE3-CB 4.05Å; W85-P114 HydrophobicContact CE3-CG 4.02Å; W85-P114 HydrophobicContact CG-CB 3.78Å; W85-P114 HydrophobicContact CG-CG 4.45Å; W85-P114 HydrophobicContact CH2-CG 4.17Å; W85-P114 HydrophobicContact CZ2-CG 4.23Å; W85-P114 HydrophobicContact CZ3-CG 4.12Å; W85-L115 CarbonylContact C-O 3.56Å; W85-L115 VanDerWaalsContact CA-O 3.26Å; W85-L115 WeakPolarHBondContact CA-O 3.46Å |
| 86 | V | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.4 | 176.6 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | W54 V56 V76 L88 P114 L115 I120 | W54-V86 HydrophobicContact CZ2-CG2 4.46Å; V56-V86 HydrophobicContact CG1-CG2 4.48Å; V76-V86 HydrophobicContact CB-CG1 4.32Å; V76-V86 HydrophobicContact CG1-CG1 3.57Å; V76-V86 HydrophobicContact CG2-CG1 3.88Å; V86-L88 HydrophobicContact CG1-CD2 3.93Å; V86-P114 WeakPolarHBondContact O-CA 3.36Å; V86-L115 PolarHBondContact N-O 3.22Å; V86-L115 PolarHBondContact O-N 2.86Å; V86-I120 HydrophobicContact CB-CD1 4.03Å; V86-I120 HydrophobicContact CG1-CD1 4.17Å |
| 87 | I | 97.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.8 | 172.2 | -62 | -177.9 | 0 | 0 | 0 | 107.7 | T23 A77 Q78 F80 E112 P114 | T23-I87 HydrophobicContact CG2-CD1 4.16Å; A77-I87 HydrophobicContact CB-CG2 4.27Å; A77-I87 WeakPolarHBondContact CB-O 3.49Å; A77-I87 PolarHBondContact N-O 3.14Å; Q78-I87 HydrophobicContact CB-CB 4.42Å; Q78-I87 PolarHBondContact N-O 3.15Å; Q78-I87 PolarHBondContact O-N 3.38Å; F80-I87 HydrophobicContact CE2-CD1 3.52Å; F80-I87 HydrophobicContact CE2-CG1 3.89Å; F80-I87 HydrophobicContact CZ-CD1 4.1Å; I87-E112 HydrophobicContact CG2-CB 3.57Å; I87-E112 HydrophobicContact CG2-CG 4.35Å; I87-P114 HydrophobicContact CG1-CB 4.11Å |
| 88 | L | 97.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 143.7 | 177.4 | -55.8 | -175.7 | 0 | 0 | 0 | 109.8 | V62 I64 K75 V76 V86 G90 L91 E112 L115 I120 | V62-L88 HydrophobicContact CG2-CD1 3.84Å; V62-L88 HydrophobicContact CG2-CD2 3.28Å; V62-L88 HydrophobicContact CG2-CG 4.21Å; I64-L88 HydrophobicContact CD1-CD1 3.89Å; I64-L88 HydrophobicContact CG1-CD1 3.62Å; K75-L88 CarbonylContact O-C 3.2Å; K75-L88 VanDerWaalsContact O-CA 3.31Å; K75-L88 WeakPolarHBondContact O-CA 3.27Å; V76-L88 HydrophobicContact CB-CD2 4.36Å; V76-L88 HydrophobicContact CG2-CD2 3.73Å; V86-L88 HydrophobicContact CG1-CD2 3.93Å; L88-G90 PolarHBondContact O-N 2.74Å; L88-L91 HydrophobicContact CB-CB 4.16Å; L88-L91 HydrophobicContact CD1-CD1 4.34Å; L88-E112 WeakPolarHBondContact O-CG 3.37Å; L88-L115 HydrophobicContact CD1-CD1 4.05Å; L88-L115 HydrophobicContact CG-CD1 4.48Å; L88-I120 HydrophobicContact CD1-CD1 4.01Å; L88-I120 HydrophobicContact CD2-CD1 4.24Å; L88-I120 HydrophobicContact CG-CD1 4.21Å |
| 89 | D | 96.4 | Very high | 95.7 | Very high | 86 Ų | 86 | 55.3 Ų | 55.3 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 120.5 | 178.8 | -73 | -36.7 | 0 | 0 | 0 | 110.6 | K75 A77 L91 | K75-D89 PolarHBondContact O-N 2.98Å; A77-D89 WeakPolarHBondContact CB-OD1 3.46Å; D89-L91 PolarHBondContact O-N 2.73Å; D89-L91 VanDerWaalsContact O-N 3.08Å |
| 90 | G | 95.5 | Very high | 95.6 | Very high | 54 Ų | 54 | 61 Ų | 61 | 56% | 0.557 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 6.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | L88 E112 | L88-G90 PolarHBondContact O-N 2.74Å; G90-E112 PolarHBondContact N-OE1 2.69Å |
| 91 | L | 96.5 | Very high | 95.6 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -113.9 | 158.3 | 178 | -63 | 179.2 | 0 | 0 | 0 | 111.7 | I64 K72 L88 D89 T93 | I64-L91 HydrophobicContact CD1-CB 3.91Å; I64-L91 HydrophobicContact CD1-CD1 3.9Å; I64-L91 HydrophobicContact CD1-CG 4.48Å; K72-L91 HydrophobicContact CB-CD1 4.2Å; K72-L91 HydrophobicContact CB-CD2 4.09Å; K72-L91 HydrophobicContact CD-CD2 3.91Å; L88-L91 HydrophobicContact CB-CB 4.16Å; L88-L91 HydrophobicContact CD1-CD1 4.34Å; D89-L91 PolarHBondContact O-N 2.73Å; D89-L91 VanDerWaalsContact O-N 3.08Å; L91-T93 PolarHBondContact O-N 2.89Å |
| 92 | N | 96.3 | Very high | 95.7 | Very high | 33 Ų | 33 | 65.4 Ų | 65.4 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 51.6 | 45.3 | -176.2 | -168.9 | 38 | 0 | 0 | 0 | 112.1 | D69 A113 L115 | D69-N92 WeakPolarHBondContact OD2-CA 3.41Å; D69-N92 PolarHBondContact OD2-N 2.7Å; N92-A113 PolarHBondContact ND2-O 2.86Å; N92-A113 VanDerWaalsContact O-CB 3.3Å; N92-A113 WeakPolarHBondContact O-CB 3.32Å; N92-A113 PolarHBondContact O-N 3.41Å; N92-L115 HydrophobicContact CB-CD1 4.09Å; N92-L115 HydrophobicContact CB-CD2 4.35Å; N92-L115 HydrophobicContact CB-CG 4.22Å; N92-L115 WeakPolarHBondContact ND2-CD2 3.32Å; N92-L115 WeakPolarHBondContact ND2-CG 3.44Å |
| 93 | T | 96 | Very high | 95.9 | Very high | 28 Ų | 28 | 67.8 Ų | 67.8 | 17% | 0.172 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 142.9 | -174.1 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | L91 A110 S111 E112 | L91-T93 PolarHBondContact O-N 2.89Å; T93-A110 HydrophobicContact CG2-CB 4.46Å; T93-S111 VanDerWaalsContact CA-O 3.32Å; T93-S111 WeakPolarHBondContact CA-O 3.47Å; T93-E112 HydrophobicContact CG2-CG 4.01Å |
| 94 | H | 95.6 | Very high | 96 | Very high | 93 Ų | 93 | 71.8 Ų | 71.8 | 43% | 0.431 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 150.2 | 163.5 | 64.2 | -75.5 | 0 | 0 | 0 | 108.9 | S111 | H94-S111 PolarHBondContact CE1-O 2.9Å; H94-S111 PolarHBondContact N-O 3.4Å; H94-S111 PolarHBondContact ND1-O 2.78Å; H94-S111 VanDerWaalsContact ND1-O 3.15Å; H94-S111 PolarHBondContact O-N 3.35Å; H94-S111 VanDerWaalsContact O-O 3.14Å |
| 95 | F | 96 | Very high | 95.8 | Very high | 105 Ų | 105 | 81.5 Ų | 81.5 | 46% | 0.461 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 141.9 | 179.9 | -61.6 | -83.4 | 0 | 0 | 0 | 111.6 | Y108 I109 A110 | F95-Y108 HydrophobicContact CB-CD1 4.33Å; F95-Y108 HydrophobicContact CB-CD2 4.27Å; F95-Y108 HydrophobicContact CB-CE1 3.53Å; F95-Y108 HydrophobicContact CB-CE2 3.47Å; F95-Y108 VanDerWaalsContact CB-CE2 3.47Å; F95-Y108 WeakPolarHBondContact CB-OH 3.36Å; F95-Y108 AromaticContact CD1-CD1 3.84Å; F95-Y108 HydrophobicContact CD1-CD1 3.84Å; F95-Y108 AromaticContact CD1-CE1 3.23Å; F95-Y108 HydrophobicContact CD1-CE1 3.23Å; F95-Y108 AromaticContact CD1-CZ 3.77Å; F95-Y108 HydrophobicContact CD2-CE1 4.1Å; F95-Y108 AromaticContact CD2-CZ 3.99Å; F95-Y108 WeakPolarHBondContact CD2-OH 3.12Å; F95-Y108 HydrophobicContact CE1-CD1 4.5Å; F95-Y108 AromaticContact CE1-CE1 3.88Å; F95-Y108 HydrophobicContact CE1-CE1 3.88Å; F95-Y108 HydrophobicContact CG-CD1 4.3Å; F95-Y108 AromaticContact CG-CE1 3.36Å; F95-Y108 HydrophobicContact CG-CE1 3.36Å; F95-Y108 HydrophobicContact CG-CE2 4.25Å; F95-Y108 AromaticContact CG-CZ 3.36Å; F95-Y108 WeakPolarHBondContact CG-OH 3.26Å; F95-I109 WeakPolarHBondContact CA-O 3.49Å; F95-A110 HydrophobicContact CD1-CB 3.93Å; F95-A110 HydrophobicContact CE1-CB 3.81Å |
| 96 | R | 94.9 | Very high | 95.8 | Very high | 125 Ų | 125 | 79.9 Ų | 79.9 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 155.5 | 175.1 | 65.2 | -177 | -179.9 | 121.8 | 1.5 | 111.2 | I98 I109 S111 | R96-I98 HydrophobicContact CG-CG1 4.38Å; R96-I109 PolarHBondContact N-O 3.27Å; R96-I109 PolarHBondContact O-N 2.93Å; R96-I109 VanDerWaalsContact O-O 3.14Å; R96-S111 VanDerWaalsContact NE-CB 3.29Å; R96-S111 PolarHBondContact NE-OG 2.91Å |
| 97 | Y | 96.5 | Very high | 95.8 | Very high | 144 Ų | 144 | 83.1 Ų | 83.1 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 134.2 | 173.1 | -66.5 | -87.2 | 0 | 0 | 0 | 110.7 | T107 Y108 | Y97-T107 CarbonylContact C-O 3.59Å; Y97-T107 VanDerWaalsContact CA-O 3.31Å; Y97-T107 WeakPolarHBondContact CA-O 3.46Å; Y97-Y108 HydrophobicContact CD1-CD2 4.24Å; Y97-Y108 HydrophobicContact CD2-CD2 4.31Å; Y97-Y108 AromaticContact CE1-CD2 3.77Å; Y97-Y108 HydrophobicContact CE1-CD2 3.77Å; Y97-Y108 HydrophobicContact CE1-CG 4.38Å; Y97-Y108 AromaticContact CE2-CD2 3.84Å; Y97-Y108 HydrophobicContact CE2-CD2 3.84Å; Y97-Y108 HydrophobicContact CE2-CE2 4.15Å; Y97-Y108 HydrophobicContact CG-CD2 4.5Å; Y97-Y108 AromaticContact CZ-CD2 3.56Å |
| 98 | I | 94.9 | Very high | 95.7 | Very high | 66 Ų | 66 | 88.5 Ų | 88.5 | 34% | 0.338 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147.8 | 176.3 | -56.9 | -174.2 | 0 | 0 | 0 | 109 | R96 K100 G106 T107 I109 | R96-I98 HydrophobicContact CG-CG1 4.38Å; I98-K100 VanDerWaalsContact C-N 3.34Å; I98-K100 PolarHBondContact O-N 3.29Å; I98-G106 CarbonylContact O-C 3.59Å; I98-G106 VanDerWaalsContact O-CA 3.3Å; I98-G106 WeakPolarHBondContact O-CA 3.3Å; I98-T107 PolarHBondContact N-O 3.47Å; I98-T107 PolarHBondContact O-N 2.87Å; I98-I109 HydrophobicContact CB-CD1 4.16Å; I98-I109 HydrophobicContact CD1-CB 4.13Å; I98-I109 HydrophobicContact CD1-CD1 3.9Å; I98-I109 HydrophobicContact CD1-CG2 4.19Å; I98-I109 HydrophobicContact CG1-CB 4.47Å; I98-I109 HydrophobicContact CG1-CD1 4.25Å |
| 99 | G | 93.6 | Very high | 95.7 | Very high | 53 Ų | 53 | 91.8 Ų | 91.8 | 55% | 0.546 | 47% | 0.47 | S | S | . | . | S | Bend | trans | 72.5 | 23.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T101 | G99-T101 PolarHBondContact O-N 3.42Š|
| 100 | K | 95.1 | Very high | 95.7 | Very high | 161 Ų | 161 | 90 Ų | 90 | 70% | 0.7 | 47% | 0.467 | S | S | * | . | trans | -63.4 | 126.6 | 177.3 | -176.9 | 177.7 | 179.4 | 180 | 0 | 110.9 | I98 | I98-K100 VanDerWaalsContact C-N 3.34Å; I98-K100 PolarHBondContact O-N 3.29Å | ||
| 101 | T | 95.9 | Very high | 95.7 | Very high | 81 Ų | 81 | 88.4 Ų | 88.4 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | trans | -118 | -176.5 | 169.6 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | G99 D103 Y104 | G99-T101 PolarHBondContact O-N 3.42Å; T101-D103 VanDerWaalsContact C-N 3.33Å; T101-Y104 PolarHBondContact N-O 2.65Å; T101-Y104 VanDerWaalsContact O-O 3.1Å; T101-Y104 WeakPolarHBondContact OG1-CB 3.41Å; T101-Y104 PolarHBondContact OG1-N 2.69Å | ||
| 102 | A | 95.1 | Very high | 95.7 | Very high | 104 Ų | 104 | 90.8 Ų | 90.8 | 86% | 0.86 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -62.3 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 103 | D | 96.3 | Very high | 95.7 | Very high | 164 Ų | 164 | 90.3 Ų | 90.3 | 88% | 0.877 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -90.3 | -27.4 | -175.4 | -49.6 | -45.4 | 0 | 0 | 0 | 113.1 | T101 | T101-D103 VanDerWaalsContact C-N 3.33Š|
| 104 | Y | 95.9 | Very high | 95.7 | Very high | 119 Ų | 119 | 90.7 Ų | 90.7 | 47% | 0.467 | 46% | 0.462 | S | S | . | . | trans | -109.3 | 124.3 | -178.4 | -178.4 | -121.2 | 0 | 0 | 0 | 112.1 | T101 G106 T107 | T101-Y104 PolarHBondContact N-O 2.65Å; T101-Y104 VanDerWaalsContact O-O 3.1Å; T101-Y104 WeakPolarHBondContact OG1-CB 3.41Å; T101-Y104 PolarHBondContact OG1-N 2.69Å; Y104-G106 VanDerWaalsContact CE1-C 3.42Å; Y104-G106 PolarHBondContact O-N 2.74Å; Y104-G106 VanDerWaalsContact O-N 3.12Å; Y104-T107 PolarHBondContact OH-OG1 3.27Å; Y104-T107 VanDerWaalsContact OH-OG1 3.1Å | ||
| 105 | R | 92.9 | Very high | 95.8 | Very high | 216 Ų | 216 | 87 Ų | 87 | 82% | 0.815 | 45% | 0.445 | S | S | * | . | trans | -63.2 | -18.4 | -179.8 | -66.7 | -175.4 | 178.4 | -174.7 | 0.3 | 113.8 | ||||
| 106 | G | 95.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 85.8 Ų | 85.8 | 9% | 0.093 | 44% | 0.443 | C | S | . | . | trans | 98.6 | 163.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I98 Y104 | I98-G106 CarbonylContact O-C 3.59Å; I98-G106 VanDerWaalsContact O-CA 3.3Å; I98-G106 WeakPolarHBondContact O-CA 3.3Å; Y104-G106 VanDerWaalsContact CE1-C 3.42Å; Y104-G106 PolarHBondContact O-N 2.74Å; Y104-G106 VanDerWaalsContact O-N 3.12Å | ||
| 107 | T | 97.2 | Very high | 95.8 | Very high | 69 Ų | 69 | 81 Ų | 81 | 42% | 0.423 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133.4 | 175.2 | -46.3 | 0 | 0 | 0 | 0 | 110.2 | Y97 I98 Y104 I109 | Y97-T107 CarbonylContact C-O 3.59Å; Y97-T107 VanDerWaalsContact CA-O 3.31Å; Y97-T107 WeakPolarHBondContact CA-O 3.46Å; I98-T107 PolarHBondContact N-O 3.47Å; I98-T107 PolarHBondContact O-N 2.87Å; Y104-T107 PolarHBondContact OH-OG1 3.27Å; Y104-T107 VanDerWaalsContact OH-OG1 3.1Å; T107-I109 HydrophobicContact CG2-CD1 4.26Å; T107-I109 HydrophobicContact CG2-CG1 4.1Å |
| 108 | Y | 96.1 | Very high | 95.7 | Very high | 126 Ų | 126 | 82.1 Ų | 82.1 | 49% | 0.494 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 117.5 | 176.7 | -167.1 | -109.3 | 0 | 0 | 0 | 110.6 | F95 Y97 | F95-Y108 HydrophobicContact CB-CD1 4.33Å; F95-Y108 HydrophobicContact CB-CD2 4.27Å; F95-Y108 HydrophobicContact CB-CE1 3.53Å; F95-Y108 HydrophobicContact CB-CE2 3.47Å; F95-Y108 VanDerWaalsContact CB-CE2 3.47Å; F95-Y108 WeakPolarHBondContact CB-OH 3.36Å; F95-Y108 AromaticContact CD1-CD1 3.84Å; F95-Y108 HydrophobicContact CD1-CD1 3.84Å; F95-Y108 AromaticContact CD1-CE1 3.23Å; F95-Y108 HydrophobicContact CD1-CE1 3.23Å; F95-Y108 AromaticContact CD1-CZ 3.77Å; F95-Y108 HydrophobicContact CD2-CE1 4.1Å; F95-Y108 AromaticContact CD2-CZ 3.99Å; F95-Y108 WeakPolarHBondContact CD2-OH 3.12Å; F95-Y108 HydrophobicContact CE1-CD1 4.5Å; F95-Y108 AromaticContact CE1-CE1 3.88Å; F95-Y108 HydrophobicContact CE1-CE1 3.88Å; F95-Y108 HydrophobicContact CG-CD1 4.3Å; F95-Y108 AromaticContact CG-CE1 3.36Å; F95-Y108 HydrophobicContact CG-CE1 3.36Å; F95-Y108 HydrophobicContact CG-CE2 4.25Å; F95-Y108 AromaticContact CG-CZ 3.36Å; F95-Y108 WeakPolarHBondContact CG-OH 3.26Å; Y97-Y108 HydrophobicContact CD1-CD2 4.24Å; Y97-Y108 HydrophobicContact CD2-CD2 4.31Å; Y97-Y108 AromaticContact CE1-CD2 3.77Å; Y97-Y108 HydrophobicContact CE1-CD2 3.77Å; Y97-Y108 HydrophobicContact CE1-CG 4.38Å; Y97-Y108 AromaticContact CE2-CD2 3.84Å; Y97-Y108 HydrophobicContact CE2-CD2 3.84Å; Y97-Y108 HydrophobicContact CE2-CE2 4.15Å; Y97-Y108 HydrophobicContact CG-CD2 4.5Å; Y97-Y108 AromaticContact CZ-CD2 3.56Å |
| 109 | I | 96.8 | Very high | 95.8 | Very high | 71 Ų | 71 | 81.1 Ų | 81.1 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.5 | -174.2 | -66.5 | 173.6 | 0 | 0 | 0 | 109.9 | F95 R96 I98 T107 | F95-I109 WeakPolarHBondContact CA-O 3.49Å; R96-I109 PolarHBondContact N-O 3.27Å; R96-I109 PolarHBondContact O-N 2.93Å; R96-I109 VanDerWaalsContact O-O 3.14Å; I98-I109 HydrophobicContact CB-CD1 4.16Å; I98-I109 HydrophobicContact CD1-CB 4.13Å; I98-I109 HydrophobicContact CD1-CD1 3.9Å; I98-I109 HydrophobicContact CD1-CG2 4.19Å; I98-I109 HydrophobicContact CG1-CB 4.47Å; I98-I109 HydrophobicContact CG1-CD1 4.25Å; T107-I109 HydrophobicContact CG2-CD1 4.26Å; T107-I109 HydrophobicContact CG2-CG1 4.1Å |
| 110 | A | 96.8 | Very high | 96 | Very high | 48 Ų | 48 | 79.3 Ų | 79.3 | 40% | 0.397 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 126 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | T93 F95 | T93-A110 HydrophobicContact CG2-CB 4.46Å; F95-A110 HydrophobicContact CD1-CB 3.93Å; F95-A110 HydrophobicContact CE1-CB 3.81Å |
| 111 | S | 95.9 | Very high | 96 | Very high | 20 Ų | 20 | 72.5 Ų | 72.5 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.2 | 178.5 | -166 | 0 | 0 | 0 | 0 | 109.1 | T93 H94 R96 | T93-S111 VanDerWaalsContact CA-O 3.32Å; T93-S111 WeakPolarHBondContact CA-O 3.47Å; H94-S111 PolarHBondContact CE1-O 2.9Å; H94-S111 PolarHBondContact N-O 3.4Å; H94-S111 PolarHBondContact ND1-O 2.78Å; H94-S111 VanDerWaalsContact ND1-O 3.15Å; H94-S111 PolarHBondContact O-N 3.35Å; H94-S111 VanDerWaalsContact O-O 3.14Å; R96-S111 VanDerWaalsContact NE-CB 3.29Å; R96-S111 PolarHBondContact NE-OG 2.91Å |
| 112 | E | 96.4 | Very high | 96 | Very high | 72 Ų | 72 | 69 Ų | 69 | 34% | 0.336 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 145.1 | -179.8 | -49.4 | 106.3 | 163 | 0 | 0 | 110.9 | I87 L88 G90 T93 | I87-E112 HydrophobicContact CG2-CB 3.57Å; I87-E112 HydrophobicContact CG2-CG 4.35Å; L88-E112 WeakPolarHBondContact O-CG 3.37Å; G90-E112 PolarHBondContact N-OE1 2.69Å; T93-E112 HydrophobicContact CG2-CG 4.01Å |
| 113 | A | 96.3 | Very high | 96.1 | Very high | 23 Ų | 23 | 64.6 Ų | 64.6 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | trans | -108 | 143.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | N92 | N92-A113 PolarHBondContact ND2-O 2.86Å; N92-A113 VanDerWaalsContact O-CB 3.3Å; N92-A113 WeakPolarHBondContact O-CB 3.32Å; N92-A113 PolarHBondContact O-N 3.41Å | ||
| 114 | P | 96.9 | Very high | 96 | Very high | 36 Ų | 36 | 56.8 Ų | 56.8 | 23% | 0.234 | 27% | 0.274 | C | S | . | . | trans | -67.7 | 140.8 | 178 | 29.1 | -34.2 | 0 | 0 | 0 | 111.3 | T23 W85 V86 I87 | T23-P114 HydrophobicContact CG2-CG 4.14Å; W85-P114 HydrophobicContact CB-CB 3.93Å; W85-P114 HydrophobicContact CD2-CB 3.8Å; W85-P114 HydrophobicContact CD2-CG 3.99Å; W85-P114 HydrophobicContact CE3-CB 4.05Å; W85-P114 HydrophobicContact CE3-CG 4.02Å; W85-P114 HydrophobicContact CG-CB 3.78Å; W85-P114 HydrophobicContact CG-CG 4.45Å; W85-P114 HydrophobicContact CH2-CG 4.17Å; W85-P114 HydrophobicContact CZ2-CG 4.23Å; W85-P114 HydrophobicContact CZ3-CG 4.12Å; V86-P114 WeakPolarHBondContact O-CA 3.36Å; I87-P114 HydrophobicContact CG1-CB 4.11Å | ||
| 115 | L | 96.8 | Very high | 95.7 | Very high | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 155.6 | 170 | -71.4 | 169.7 | 0 | 0 | 0 | 109.6 | I64 W85 V86 L88 N92 I120 | I64-L115 HydrophobicContact CD1-CD1 3.95Å; I64-L115 HydrophobicContact CG1-CD1 3.97Å; I64-L115 HydrophobicContact CG2-CD1 4.42Å; W85-L115 CarbonylContact C-O 3.56Å; W85-L115 VanDerWaalsContact CA-O 3.26Å; W85-L115 WeakPolarHBondContact CA-O 3.46Å; V86-L115 PolarHBondContact N-O 3.22Å; V86-L115 PolarHBondContact O-N 2.86Å; L88-L115 HydrophobicContact CD1-CD1 4.05Å; L88-L115 HydrophobicContact CG-CD1 4.48Å; N92-L115 HydrophobicContact CB-CD1 4.09Å; N92-L115 HydrophobicContact CB-CD2 4.35Å; N92-L115 HydrophobicContact CB-CG 4.22Å; N92-L115 WeakPolarHBondContact ND2-CD2 3.32Å; N92-L115 WeakPolarHBondContact ND2-CG 3.44Å; L115-I120 HydrophobicContact CB-CD1 3.7Å; L115-I120 HydrophobicContact CB-CG1 4.25Å; L115-I120 HydrophobicContact CD1-CD1 3.86Å; L115-I120 HydrophobicContact CD1-CG1 4.13Å; L115-I120 HydrophobicContact CG-CD1 4.43Å |
| 116 | L | 96.4 | Very high | 95.7 | Very high | 79 Ų | 79 | 47.7 Ų | 47.7 | 41% | 0.414 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 151.9 | 170.8 | -70 | 163 | 0 | 0 | 0 | 109.8 | N84 R118 D119 | N84-L116 WeakPolarHBondContact O-CA 3.44Å; L116-R118 PolarHBondContact O-N 3.15Å; L116-R118 VanDerWaalsContact O-N 3.17Å; L116-D119 PolarHBondContact O-N 2.76Å |
| 117 | I | 95.1 | Very high | 95.5 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 13% | 0.128 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -58.7 | -28.5 | 177.6 | -167.1 | 158.5 | 0 | 0 | 0 | 113.2 | I49 W54 V56 N84 D119 I120 | I49-I117 HydrophobicContact CD1-CG2 4.03Å; W54-I117 HydrophobicContact CD2-CD1 4.15Å; W54-I117 HydrophobicContact CE3-CD1 4.04Å; W54-I117 HydrophobicContact CH2-CB 4.26Å; W54-I117 HydrophobicContact CH2-CD1 3.51Å; W54-I117 HydrophobicContact CH2-CG1 4.44Å; W54-I117 HydrophobicContact CZ2-CD1 3.62Å; W54-I117 HydrophobicContact CZ3-CD1 3.75Å; V56-I117 HydrophobicContact CB-CD1 4.3Å; V56-I117 HydrophobicContact CG2-CD1 4Å; V56-I117 HydrophobicContact CG2-CG1 4.21Å; N84-I117 HydrophobicContact CB-CG2 4.07Å; N84-I117 PolarHBondContact O-N 3.36Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 3.28Å; I117-I120 PolarHBondContact O-N 2.93Å; I117-I120 VanDerWaalsContact O-O 3.1Å |
| 118 | R | 94.8 | Very high | 95.3 | Very high | 166 Ų | 166 | 55.3 Ų | 55.3 | 63% | 0.626 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -70.7 | -24.8 | 177.3 | -66.7 | 179.7 | 169.4 | -150.1 | -9.4 | 113.8 | E47 L116 I120 | E47-R118 VanDerWaalsContact CD-NE 3.25Å; E47-R118 IonicContact OE1-CZ 3.59Å; E47-R118 IonicContact OE1-NE 3.76Å; E47-R118 PolarHBondContact OE1-NE 3.21Å; E47-R118 VanDerWaalsContact OE1-NE 3.1Å; E47-R118 IonicContact OE1-NH1 3.52Å; E47-R118 PolarHBondContact OE1-NH1 2.84Å; E47-R118 IonicContact OE1-NH2 2.87Å; E47-R118 PolarHBondContact OE1-NH2 2.67Å; E47-R118 IonicContact OE2-CZ 3.19Å; E47-R118 IonicContact OE2-NE 3.65Å; E47-R118 PolarHBondContact OE2-NE 2.81Å; E47-R118 IonicContact OE2-NH2 2.77Å; E47-R118 PolarHBondContact OE2-NH2 3.16Å; L116-R118 PolarHBondContact O-N 3.15Å; L116-R118 VanDerWaalsContact O-N 3.17Å; R118-I120 PolarHBondContact O-N 3.13Å |
| 119 | D | 96.2 | Very high | 95.2 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -85.8 | 6.7 | -178.2 | -64.4 | -43.4 | 0 | 0 | 0 | 112.2 | L65 S66 L116 I117 | L65-D119 PolarHBondContact N-O 3.35Å; S66-D119 WeakPolarHBondContact OG-CB 3.33Å; S66-D119 PolarHBondContact OG-OD1 3.09Å; L116-D119 PolarHBondContact O-N 2.76Å; I117-D119 VanDerWaalsContact C-N 3.31Å; I117-D119 PolarHBondContact O-N 3.28Å |
| 120 | I | 96.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 8% | 0.077 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 143.7 | -172.2 | -66.1 | 177.7 | 0 | 0 | 0 | 109.2 | V62 E63 V86 L88 L115 I117 R118 | V62-I120 HydrophobicContact CB-CG2 3.32Å; V62-I120 HydrophobicContact CG1-CG2 3.85Å; V62-I120 HydrophobicContact CG2-CG2 3.45Å; V62-I120 VanDerWaalsContact CG2-CG2 3.45Å; E63-I120 CarbonylContact O-C 3.52Å; E63-I120 WeakPolarHBondContact O-CA 2.98Å; V86-I120 HydrophobicContact CB-CD1 4.03Å; V86-I120 HydrophobicContact CG1-CD1 4.17Å; L88-I120 HydrophobicContact CD1-CD1 4.01Å; L88-I120 HydrophobicContact CD2-CD1 4.24Å; L88-I120 HydrophobicContact CG-CD1 4.21Å; L115-I120 HydrophobicContact CB-CD1 3.7Å; L115-I120 HydrophobicContact CB-CG1 4.25Å; L115-I120 HydrophobicContact CD1-CD1 3.86Å; L115-I120 HydrophobicContact CD1-CG1 4.13Å; L115-I120 HydrophobicContact CG-CD1 4.43Å; I117-I120 PolarHBondContact O-N 2.93Å; I117-I120 VanDerWaalsContact O-O 3.1Å; R118-I120 PolarHBondContact O-N 3.13Å |
| 121 | S | 96.6 | Very high | 95.1 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 145.2 | 171.5 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | V62 E63 P130 T131 | V62-S121 CarbonylContact C-O 3.56Å; V62-S121 VanDerWaalsContact CA-O 3.25Å; V62-S121 WeakPolarHBondContact CA-O 3.25Å; V62-S121 WeakPolarHBondContact CB-O 3.34Å; E63-S121 PolarHBondContact N-O 3.18Å; E63-S121 PolarHBondContact O-N 2.86Å; S121-P130 WeakPolarHBondContact OG-CB 3.28Å; S121-T131 PolarHBondContact OG-N 3.12Å; S121-T131 VanDerWaalsContact OG-N 3.09Å; S121-T131 PolarHBondContact OG-O 2.73Å |
| 122 | L | 96.4 | Very high | 95.1 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 137.5 | 173.1 | -79.4 | 163.4 | 0 | 0 | 0 | 109.8 | V56 D60 V62 T131 V133 | V56-L122 HydrophobicContact CG2-CD1 4.4Å; V56-L122 HydrophobicContact CG2-CD2 4.46Å; V56-L122 HydrophobicContact CG2-CG 4.25Å; D60-L122 HydrophobicContact CB-CD2 3.85Å; V62-L122 HydrophobicContact CG1-CD2 3.81Å; V62-L122 HydrophobicContact CG1-CG 4.44Å; L122-T131 PolarHBondContact O-N 2.88Å; L122-T131 PolarHBondContact O-OG1 3.5Å; L122-V133 HydrophobicContact CB-CG2 3.98Å; L122-V133 HydrophobicContact CD1-CB 4.08Å; L122-V133 HydrophobicContact CD1-CG1 4.39Å; L122-V133 HydrophobicContact CD1-CG2 3.72Å; L122-V133 HydrophobicContact CG-CG2 4.5Å |
| 123 | V | 95.6 | Very high | 95 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.6 | 175.5 | 175.9 | 0 | 0 | 0 | 0 | 108.5 | T61 E63 Q73 R128 | T61-V123 HydrophobicContact CG2-CB 4.38Å; T61-V123 PolarHBondContact O-N 3.45Å; T61-V123 VanDerWaalsContact O-N 3.15Å; E63-V123 HydrophobicContact CB-CG2 3.87Å; Q73-V123 HydrophobicContact CG-CG2 4.04Å; V123-R128 VanDerWaalsContact CG1-CA 3.5Å; V123-R128 HydrophobicContact CG1-CB 4.31Å |
| 124 | D | 94.5 | Very high | 95 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 127.9 | 173.4 | 172.9 | -2.4 | 0 | 0 | 0 | 109.5 | T126 D127 R128 K129 T131 T150 | D124-T126 PolarHBondContact O-N 3.16Å; D124-T126 VanDerWaalsContact O-N 3.11Å; D124-T126 WeakPolarHBondContact OD1-CB 3.46Å; D124-T126 PolarHBondContact OD1-N 2.98Å; D124-T126 PolarHBondContact OD1-OG1 2.95Å; D124-D127 VanDerWaalsContact CB-OD1 3.32Å; D124-D127 WeakPolarHBondContact CB-OD1 3.31Å; D124-R128 WeakPolarHBondContact O-CA 3.45Å; D124-R128 PolarHBondContact O-N 3.3Å; D124-K129 PolarHBondContact N-O 3.33Å; D124-T131 HydrophobicContact CB-CG2 3.82Å; D124-T150 VanDerWaalsContact OD2-CB 3.26Å; D124-T150 WeakPolarHBondContact OD2-CB 3.45Å; D124-T150 WeakPolarHBondContact OD2-CG2 3.04Å; D124-T150 PolarHBondContact OD2-OG1 3.37Å |
| 125 | P | 90.8 | Very high | 94.9 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.1 | -179.9 | 24.4 | -36.1 | 0 | 0 | 0 | 114.2 | ||
| 126 | T | 91.4 | Very high | 94.8 | Very high | 64 Ų | 64 | 64.8 Ų | 64.8 | 39% | 0.393 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -56.7 | -176.3 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | D124 R152 | D124-T126 PolarHBondContact O-N 3.16Å; D124-T126 VanDerWaalsContact O-N 3.11Å; D124-T126 WeakPolarHBondContact OD1-CB 3.46Å; D124-T126 PolarHBondContact OD1-N 2.98Å; D124-T126 PolarHBondContact OD1-OG1 2.95Å; T126-R152 VanDerWaalsContact CG2-CZ 3.47Å; T126-R152 WeakPolarHBondContact OG1-CD 3.42Å; T126-R152 PolarHBondContact OG1-NH1 3.46Å |
| 127 | D | 91.4 | Very high | 94.8 | Very high | 50 Ų | 50 | 68.1 Ų | 68.1 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -3.3 | -168.3 | 60.1 | 7.1 | 0 | 0 | 0 | 112.3 | D124 K129 R149 T150 | D124-D127 VanDerWaalsContact CB-OD1 3.32Å; D124-D127 WeakPolarHBondContact CB-OD1 3.31Å; D127-K129 HydrophobicContact CB-CG 4.39Å; D127-K129 VanDerWaalsContact O-CG 3.22Å; D127-K129 WeakPolarHBondContact O-CG 3.28Å; D127-K129 PolarHBondContact O-N 3.08Å; D127-K129 VanDerWaalsContact O-N 3.15Å; D127-K129 PolarHBondContact OD1-N 2.92Å; D127-R149 IonicContact OD1-CZ 2.9Å; D127-R149 IonicContact OD1-NH2 2.99Å; D127-R149 PolarHBondContact OD1-NH2 2.89Å; D127-R149 IonicContact OD2-CZ 2.68Å; D127-R149 IonicContact OD2-NE 2.93Å; D127-R149 PolarHBondContact OD2-NE 3.24Å; D127-R149 IonicContact OD2-NH2 2.78Å; D127-R149 PolarHBondContact OD2-NH2 3.27Å; D127-T150 WeakPolarHBondContact OD2-CG2 3.33Å |
| 128 | R | 93.1 | Very high | 94.8 | Very high | 187 Ų | 187 | 68.8 Ų | 68.8 | 71% | 0.706 | 32% | 0.321 | S | S | * | . | trans | 54.6 | 29.4 | 176.1 | -56.5 | -178.4 | -178.2 | 170.6 | 0.8 | 114 | Q73 V123 D124 | Q73-R128 PolarHBondContact NE2-O 3.43Å; V123-R128 VanDerWaalsContact CG1-CA 3.5Å; V123-R128 HydrophobicContact CG1-CB 4.31Å; D124-R128 WeakPolarHBondContact O-CA 3.45Å; D124-R128 PolarHBondContact O-N 3.3Å | ||
| 129 | K | 94.4 | Very high | 94.7 | Very high | 123 Ų | 123 | 70.9 Ų | 70.9 | 54% | 0.535 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -113.3 | 162 | 172.2 | -14 | 175.2 | 163.8 | 173.8 | 0 | 110.7 | D124 D127 R149 | D124-K129 PolarHBondContact N-O 3.33Å; D127-K129 HydrophobicContact CB-CG 4.39Å; D127-K129 VanDerWaalsContact O-CG 3.22Å; D127-K129 WeakPolarHBondContact O-CG 3.28Å; D127-K129 PolarHBondContact O-N 3.08Å; D127-K129 VanDerWaalsContact O-N 3.15Å; D127-K129 PolarHBondContact OD1-N 2.92Å; K129-R149 VanDerWaalsContact CB-NH2 3.26Å; K129-R149 PolarHBondContact O-NH2 3.22Å |
| 130 | P | 96 | Very high | 94.6 | Very high | 40 Ų | 40 | 76.7 Ų | 76.7 | 26% | 0.26 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 141.3 | -176.6 | 28 | -31 | 0 | 0 | 0 | 110.1 | E63 S121 R149 | E63-P130 HydrophobicContact CB-CB 4.25Å; E63-P130 WeakPolarHBondContact OE2-CD 3.49Å; S121-P130 WeakPolarHBondContact OG-CB 3.28Å; P130-R149 PolarHBondContact O-NH1 3.28Å |
| 131 | T | 95.5 | Very high | 94.5 | Very high | 9 Ų | 9 | 78.4 Ų | 78.4 | 6% | 0.055 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 148.8 | -179 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | S121 L122 D124 S147 R149 | S121-T131 PolarHBondContact OG-N 3.12Å; S121-T131 VanDerWaalsContact OG-N 3.09Å; S121-T131 PolarHBondContact OG-O 2.73Å; L122-T131 PolarHBondContact O-N 2.88Å; L122-T131 PolarHBondContact O-OG1 3.5Å; D124-T131 HydrophobicContact CB-CG2 3.82Å; T131-S147 VanDerWaalsContact CB-OG 3.26Å; T131-S147 WeakPolarHBondContact CB-OG 3.19Å; T131-S147 WeakPolarHBondContact CG2-OG 3.2Å; T131-S147 PolarHBondContact OG1-OG 3.13Å; T131-R149 HydrophobicContact CG2-CB 3.71Å |
| 132 | E | 95 | Very high | 94.4 | Very high | 147 Ų | 147 | 83.3 Ų | 83.3 | 69% | 0.687 | 41% | 0.405 | S | S | * | . | trans | -81.3 | 148.1 | 164.4 | -68.2 | -179.3 | -176.2 | 0 | 0 | 109.8 | L148 | E132-L148 HydrophobicContact CB-CD1 3.85Å; E132-L148 PolarHBondContact O-N 3.39Å | ||
| 133 | V | 95.7 | Very high | 94.3 | Very high | 31 Ų | 31 | 86.8 Ų | 86.8 | 19% | 0.188 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.3 | -172.2 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | L122 R145 V146 V154 | L122-V133 HydrophobicContact CB-CG2 3.98Å; L122-V133 HydrophobicContact CD1-CB 4.08Å; L122-V133 HydrophobicContact CD1-CG1 4.39Å; L122-V133 HydrophobicContact CD1-CG2 3.72Å; L122-V133 HydrophobicContact CG-CG2 4.5Å; V133-R145 HydrophobicContact CG1-CB 3.54Å; V133-R145 HydrophobicContact CG1-CG 4.01Å; V133-V146 WeakPolarHBondContact CA-O 3.48Å; V133-V154 HydrophobicContact CG2-CG2 4.39Å |
| 134 | E | 95.3 | Very high | 94.3 | Very high | 63 Ų | 63 | 87.4 Ų | 87.4 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 157.6 | 172.1 | 64.1 | 178.7 | 168.9 | 0 | 0 | 111 | R136 V146 L148 | E134-R136 HydrophobicContact CG-CG 4.26Å; E134-R136 IonicContact OE1-CZ 2.59Å; E134-R136 IonicContact OE1-NE 2.69Å; E134-R136 PolarHBondContact OE1-NE 2.88Å; E134-R136 IonicContact OE1-NH2 2.7Å; E134-R136 PolarHBondContact OE1-NH2 3.35Å; E134-V146 PolarHBondContact N-O 3.15Å; E134-V146 PolarHBondContact O-N 3.02Å; E134-L148 HydrophobicContact CB-CD2 4.39Å; E134-L148 HydrophobicContact CG-CD2 3.81Å; E134-L148 HydrophobicContact CG-CG 4.37Å; E134-L148 VanDerWaalsContact OE1-CD2 3.29Å; E134-L148 WeakPolarHBondContact OE1-CD2 3.39Å |
| 135 | W | 95.3 | Very high | 94.3 | Very high | 68 Ų | 68 | 87.6 Ų | 87.6 | 26% | 0.258 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 126.3 | 174.7 | -73.3 | 103.3 | 0 | 0 | 0 | 110.1 | E52 D53 W54 F57 K143 V144 R145 | E52-W135 PolarHBondContact O-NE1 3.22Å; D53-W135 PolarHBondContact O-NE1 3.2Å; W54-W135 WeakPolarHBondContact O-CZ2 3.4Å; F57-W135 AromaticContact CE2-CH2 3.91Å; F57-W135 HydrophobicContact CE2-CH2 3.91Å; F57-W135 HydrophobicContact CE2-CZ2 4.05Å; F57-W135 HydrophobicContact CZ-CH2 4.04Å; F57-W135 HydrophobicContact CZ-CZ2 4.07Å; W135-K143 VanDerWaalsContact CB-CE 3.47Å; W135-K143 HydrophobicContact CD2-CD 4.41Å; W135-K143 HydrophobicContact CD2-CG 4.49Å; W135-K143 HydrophobicContact CE3-CD 4.03Å; W135-K143 HydrophobicContact CE3-CG 3.74Å; W135-K143 HydrophobicContact CZ3-CG 4.26Å; W135-V144 WeakPolarHBondContact CA-O 3.34Å; W135-R145 HydrophobicContact CD2-CG 4.06Å; W135-R145 HydrophobicContact CE3-CG 3.77Å; W135-R145 HydrophobicContact CH2-CG 3.51Å; W135-R145 HydrophobicContact CZ2-CG 3.74Å; W135-R145 HydrophobicContact CZ3-CG 3.52Å |
| 136 | R | 95.2 | Very high | 94.6 | Very high | 131 Ų | 131 | 84.2 Ų | 84.2 | 49% | 0.494 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 165.9 | 172.6 | -63.5 | -170.6 | -179.8 | -175.4 | -0.1 | 110.1 | E134 V144 V146 | E134-R136 HydrophobicContact CG-CG 4.26Å; E134-R136 IonicContact OE1-CZ 2.59Å; E134-R136 IonicContact OE1-NE 2.69Å; E134-R136 PolarHBondContact OE1-NE 2.88Å; E134-R136 IonicContact OE1-NH2 2.7Å; E134-R136 PolarHBondContact OE1-NH2 3.35Å; R136-V144 PolarHBondContact N-O 3.48Å; R136-V144 PolarHBondContact O-N 2.78Å; R136-V144 VanDerWaalsContact O-O 3.07Å; R136-V146 HydrophobicContact CB-CG2 3.94Å; R136-V146 HydrophobicContact CG-CB 4.38Å; R136-V146 HydrophobicContact CG-CG2 4.09Å |
| 137 | F | 95.4 | Very high | 94.8 | Very high | 148 Ų | 148 | 81.1 Ų | 81.1 | 65% | 0.649 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 139.1 | 172 | -69 | -87.9 | 0 | 0 | 0 | 109.3 | E142 K143 | F137-E142 WeakPolarHBondContact CA-O 3.36Å; F137-K143 HydrophobicContact CD1-CB 4.05Å; F137-K143 HydrophobicContact CD1-CG 4.35Å; F137-K143 HydrophobicContact CE1-CB 3.73Å; F137-K143 HydrophobicContact CE1-CD 4.39Å; F137-K143 HydrophobicContact CE1-CG 3.92Å; F137-K143 HydrophobicContact CZ-CB 4.34Å; F137-K143 HydrophobicContact CZ-CD 4.18Å; F137-K143 HydrophobicContact CZ-CG 4.03Å |
| 138 | T | 94.8 | Very high | 95 | Very high | 40 Ų | 40 | 83.1 Ų | 83.1 | 25% | 0.245 | 39% | 0.393 | C | S | . | . | trans | -76.1 | 169.1 | 168.6 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | E140 G141 E142 V144 I153 | T138-E140 PolarHBondContact O-N 3.36Å; T138-G141 PolarHBondContact O-N 2.83Å; T138-E142 PolarHBondContact N-O 2.97Å; T138-E142 WeakPolarHBondContact OG1-CB 3.46Å; T138-E142 PolarHBondContact OG1-N 2.86Å; T138-E142 VanDerWaalsContact OG1-N 3.1Å; T138-E142 PolarHBondContact OG1-O 3.08Å; T138-V144 HydrophobicContact CG2-CB 4.37Å; T138-V144 HydrophobicContact CG2-CG1 3.76Å; T138-V144 HydrophobicContact CG2-CG2 3.67Å; T138-I153 HydrophobicContact CG2-CD1 4.5Å | ||
| 139 | E | 94.4 | Very high | 94.9 | Very high | 210 Ų | 210 | 79.2 Ų | 79.2 | 98% | 0.981 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -28.3 | 174.4 | -62 | 179.2 | -179.2 | 0 | 0 | 112.3 | G141 | E139-G141 PolarHBondContact O-N 3.31Š|
| 140 | E | 94.1 | Very high | 94.9 | Very high | 168 Ų | 168 | 75.7 Ų | 75.7 | 79% | 0.785 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -6.6 | 175.2 | -60.6 | 177 | 176 | 0 | 0 | 113 | T138 | T138-E140 PolarHBondContact O-N 3.36Š|
| 141 | G | 94.6 | Very high | 94.7 | Very high | 50 Ų | 50 | 76.2 Ų | 76.2 | 52% | 0.515 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 87 | 7.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T138 E139 | T138-G141 PolarHBondContact O-N 2.83Å; E139-G141 PolarHBondContact O-N 3.31Å |
| 142 | E | 93.8 | Very high | 94.6 | Very high | 120 Ų | 120 | 82.3 Ų | 82.3 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | trans | -78.5 | 132 | 177.7 | -58.2 | -163.7 | 151.7 | 0 | 0 | 111.5 | F137 T138 V144 | F137-E142 WeakPolarHBondContact CA-O 3.36Å; T138-E142 PolarHBondContact N-O 2.97Å; T138-E142 WeakPolarHBondContact OG1-CB 3.46Å; T138-E142 PolarHBondContact OG1-N 2.86Å; T138-E142 VanDerWaalsContact OG1-N 3.1Å; T138-E142 PolarHBondContact OG1-O 3.08Å; E142-V144 HydrophobicContact CB-CG1 4.48Å; E142-V144 PolarHBondContact O-N 3.1Å | ||
| 143 | K | 93.7 | Very high | 94.6 | Very high | 82 Ų | 82 | 79.5 Ų | 79.5 | 36% | 0.357 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 112.6 | 176.5 | -162.8 | -175 | -179.7 | -176.3 | 0 | 109.9 | E52 W135 F137 | E52-K143 PolarHBondContact O-NZ 2.92Å; W135-K143 VanDerWaalsContact CB-CE 3.47Å; W135-K143 HydrophobicContact CD2-CD 4.41Å; W135-K143 HydrophobicContact CD2-CG 4.49Å; W135-K143 HydrophobicContact CE3-CD 4.03Å; W135-K143 HydrophobicContact CE3-CG 3.74Å; W135-K143 HydrophobicContact CZ3-CG 4.26Å; F137-K143 HydrophobicContact CD1-CB 4.05Å; F137-K143 HydrophobicContact CD1-CG 4.35Å; F137-K143 HydrophobicContact CE1-CB 3.73Å; F137-K143 HydrophobicContact CE1-CD 4.39Å; F137-K143 HydrophobicContact CE1-CG 3.92Å; F137-K143 HydrophobicContact CZ-CB 4.34Å; F137-K143 HydrophobicContact CZ-CD 4.18Å; F137-K143 HydrophobicContact CZ-CG 4.03Å |
| 144 | V | 95.3 | Very high | 94.5 | Very high | 25 Ų | 25 | 78.4 Ų | 78.4 | 15% | 0.152 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 156 | -176.9 | -62 | 0 | 0 | 0 | 0 | 112.2 | W135 R136 T138 E142 V146 I153 | W135-V144 WeakPolarHBondContact CA-O 3.34Å; R136-V144 PolarHBondContact N-O 3.48Å; R136-V144 PolarHBondContact O-N 2.78Å; R136-V144 VanDerWaalsContact O-O 3.07Å; T138-V144 HydrophobicContact CG2-CB 4.37Å; T138-V144 HydrophobicContact CG2-CG1 3.76Å; T138-V144 HydrophobicContact CG2-CG2 3.67Å; E142-V144 HydrophobicContact CB-CG1 4.48Å; E142-V144 PolarHBondContact O-N 3.1Å; V144-V146 HydrophobicContact CG2-CG2 4.15Å; V144-I153 HydrophobicContact CB-CG2 4.01Å; V144-I153 HydrophobicContact CG1-CG2 4.39Å; V144-I153 HydrophobicContact CG2-CD1 4.32Å; V144-I153 HydrophobicContact CG2-CG1 4.27Å; V144-I153 HydrophobicContact CG2-CG2 4.38Å |
| 145 | R | 95.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 79.5 Ų | 79.5 | 2% | 0.015 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 128.7 | 173.5 | -69.9 | -176.7 | -59.3 | 177.2 | 2.4 | 109 | S55 D60 V133 W135 I153 V154 P155 | S55-R145 VanDerWaalsContact O-CD 3.3Å; S55-R145 WeakPolarHBondContact O-CD 3.26Å; S55-R145 PolarHBondContact O-NH1 3.38Å; D60-R145 IonicContact OD1-CZ 2.7Å; D60-R145 IonicContact OD1-NH1 2.74Å; D60-R145 PolarHBondContact OD1-NH1 3.17Å; D60-R145 IonicContact OD1-NH2 2.73Å; D60-R145 PolarHBondContact OD1-NH2 3.32Å; D60-R145 IonicContact OD2-CZ 2.61Å; D60-R145 IonicContact OD2-NH1 2.69Å; D60-R145 PolarHBondContact OD2-NH1 3.49Å; D60-R145 IonicContact OD2-NH2 3.05Å; V133-R145 HydrophobicContact CG1-CB 3.54Å; V133-R145 HydrophobicContact CG1-CG 4.01Å; W135-R145 HydrophobicContact CD2-CG 4.06Å; W135-R145 HydrophobicContact CE3-CG 3.77Å; W135-R145 HydrophobicContact CH2-CG 3.51Å; W135-R145 HydrophobicContact CZ2-CG 3.74Å; W135-R145 HydrophobicContact CZ3-CG 3.52Å; R145-I153 CarbonylContact O-C 3.6Å; R145-I153 WeakPolarHBondContact O-CA 3.26Å; R145-V154 HydrophobicContact CB-CB 4.2Å; R145-V154 PolarHBondContact NE-O 2.67Å; R145-V154 PolarHBondContact O-N 3.31Å; R145-P155 PolarHBondContact NH2-O 3.01Å |
| 146 | V | 95.8 | Very high | 94.2 | Very high | 8 Ų | 8 | 82.5 Ų | 82.5 | 5% | 0.048 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131 | 178.9 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | V133 E134 R136 V144 G151 R152 I153 | V133-V146 WeakPolarHBondContact CA-O 3.48Å; E134-V146 PolarHBondContact N-O 3.15Å; E134-V146 PolarHBondContact O-N 3.02Å; R136-V146 HydrophobicContact CB-CG2 3.94Å; R136-V146 HydrophobicContact CG-CB 4.38Å; R136-V146 HydrophobicContact CG-CG2 4.09Å; V144-V146 HydrophobicContact CG2-CG2 4.15Å; V146-G151 WeakPolarHBondContact CG1-O 2.99Å; V146-R152 WeakPolarHBondContact CA-O 3.21Å; V146-I153 HydrophobicContact CG2-CG1 4.37Å |
| 147 | S | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 127.9 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | T131 R149 G151 R152 | T131-S147 VanDerWaalsContact CB-OG 3.26Å; T131-S147 WeakPolarHBondContact CB-OG 3.19Å; T131-S147 WeakPolarHBondContact CG2-OG 3.2Å; T131-S147 PolarHBondContact OG1-OG 3.13Å; S147-R149 PolarHBondContact O-N 3.04Å; S147-R149 PolarHBondContact OG-N 3.19Å; S147-G151 WeakPolarHBondContact O-CA 3.34Å; S147-G151 PolarHBondContact O-N 3.4Å; S147-R152 PolarHBondContact N-O 3.15Å |
| 148 | L | 94.5 | Very high | 93.9 | Very high | 91 Ų | 91 | 77.7 Ų | 77.7 | 48% | 0.476 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -25 | 176.9 | -73.5 | 178 | 0 | 0 | 0 | 112.8 | E132 E134 | E132-L148 HydrophobicContact CB-CD1 3.85Å; E132-L148 PolarHBondContact O-N 3.39Å; E134-L148 HydrophobicContact CB-CD2 4.39Å; E134-L148 HydrophobicContact CG-CD2 3.81Å; E134-L148 HydrophobicContact CG-CG 4.37Å; E134-L148 VanDerWaalsContact OE1-CD2 3.29Å; E134-L148 WeakPolarHBondContact OE1-CD2 3.39Å |
| 149 | R | 92.6 | Very high | 93.6 | Very high | 106 Ų | 106 | 80.4 Ų | 80.4 | 40% | 0.4 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -49.3 | -177.5 | -176.5 | 170.3 | 67.8 | -140.3 | -8.3 | 112.6 | D127 K129 P130 T131 S147 | D127-R149 IonicContact OD1-CZ 2.9Å; D127-R149 IonicContact OD1-NH2 2.99Å; D127-R149 PolarHBondContact OD1-NH2 2.89Å; D127-R149 IonicContact OD2-CZ 2.68Å; D127-R149 IonicContact OD2-NE 2.93Å; D127-R149 PolarHBondContact OD2-NE 3.24Å; D127-R149 IonicContact OD2-NH2 2.78Å; D127-R149 PolarHBondContact OD2-NH2 3.27Å; K129-R149 VanDerWaalsContact CB-NH2 3.26Å; K129-R149 PolarHBondContact O-NH2 3.22Å; P130-R149 PolarHBondContact O-NH1 3.28Å; T131-R149 HydrophobicContact CG2-CB 3.71Å; S147-R149 PolarHBondContact O-N 3.04Å; S147-R149 PolarHBondContact OG-N 3.19Å |
| 150 | T | 93.2 | Very high | 93.3 | Very high | 49 Ų | 49 | 78 Ų | 78 | 30% | 0.301 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -9.5 | -173.7 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | D124 D127 R152 | D124-T150 VanDerWaalsContact OD2-CB 3.26Å; D124-T150 WeakPolarHBondContact OD2-CB 3.45Å; D124-T150 WeakPolarHBondContact OD2-CG2 3.04Å; D124-T150 PolarHBondContact OD2-OG1 3.37Å; D127-T150 WeakPolarHBondContact OD2-CG2 3.33Å; T150-R152 PolarHBondContact O-N 3.3Å; T150-R152 PolarHBondContact OG1-N 3.42Å |
| 151 | G | 92.8 | Very high | 93 | Very high | 50 Ų | 50 | 77.5 Ų | 77.5 | 52% | 0.515 | 40% | 0.397 | S | S | . | . | trans | 68.4 | 8.7 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | V146 S147 | V146-G151 WeakPolarHBondContact CG1-O 2.99Å; S147-G151 WeakPolarHBondContact O-CA 3.34Å; S147-G151 PolarHBondContact O-N 3.4Å | ||
| 152 | R | 93.2 | Very high | 92.7 | Very high | 137 Ų | 137 | 83.2 Ų | 83.2 | 52% | 0.517 | 40% | 0.403 | S | S | . | . | trans | -88.2 | 151.7 | -175.9 | -67.8 | 179.7 | 178.5 | -159.5 | 1.1 | 112.1 | T126 V146 S147 T150 | T126-R152 VanDerWaalsContact CG2-CZ 3.47Å; T126-R152 WeakPolarHBondContact OG1-CD 3.42Å; T126-R152 PolarHBondContact OG1-NH1 3.46Å; V146-R152 WeakPolarHBondContact CA-O 3.21Å; S147-R152 PolarHBondContact N-O 3.15Å; T150-R152 PolarHBondContact O-N 3.3Å; T150-R152 PolarHBondContact OG1-N 3.42Å | ||
| 153 | I | 94.5 | Very high | 92.5 | Very high | 88 Ų | 88 | 82.9 Ų | 82.9 | 45% | 0.451 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 129 | 177.8 | -61.8 | 171.3 | 0 | 0 | 0 | 109.5 | T138 V144 R145 V146 P155 | T138-I153 HydrophobicContact CG2-CD1 4.5Å; V144-I153 HydrophobicContact CB-CG2 4.01Å; V144-I153 HydrophobicContact CG1-CG2 4.39Å; V144-I153 HydrophobicContact CG2-CD1 4.32Å; V144-I153 HydrophobicContact CG2-CG1 4.27Å; V144-I153 HydrophobicContact CG2-CG2 4.38Å; R145-I153 CarbonylContact O-C 3.6Å; R145-I153 WeakPolarHBondContact O-CA 3.26Å; V146-I153 HydrophobicContact CG2-CG1 4.37Å; I153-P155 VanDerWaalsContact O-CD 3.3Å; I153-P155 WeakPolarHBondContact O-CD 3.47Å |
| 154 | V | 94.1 | Very high | 92.3 | Very high | 8 Ų | 8 | 81.6 Ų | 81.6 | 5% | 0.048 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 98.4 | 171.6 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | V133 R145 | V133-V154 HydrophobicContact CG2-CG2 4.39Å; R145-V154 HydrophobicContact CB-CB 4.2Å; R145-V154 PolarHBondContact NE-O 2.67Å; R145-V154 PolarHBondContact O-N 3.31Å |
| 155 | P | 91.3 | Very high | 92.1 | Very high | 87 Ų | 87 | 84.2 Ų | 84.2 | 57% | 0.565 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 152.3 | -173.6 | 27.6 | -35.4 | 0 | 0 | 0 | 111.2 | R145 I153 | R145-P155 PolarHBondContact NH2-O 3.01Å; I153-P155 VanDerWaalsContact O-CD 3.3Å; I153-P155 WeakPolarHBondContact O-CD 3.47Å |
| 156 | K | 92.8 | Very high | 92 | Very high | 130 Ų | 130 | 86.2 Ų | 86.2 | 57% | 0.565 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 127.5 | 172.8 | -175.6 | 175.9 | 176.6 | -178.6 | 0 | 109.2 | F57 V158 | F57-K156 HydrophobicContact CD2-CG 4.27Å; F57-K156 HydrophobicContact CG-CG 4.5Å; K156-V158 PolarHBondContact O-N 3.11Å |
| 157 | P | 92.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 89.7 Ų | 89.7 | 18% | 0.175 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 136.6 | -178.7 | 26.9 | -35.8 | 0 | 0 | 0 | 110 | F57 K58 D60 F159 | F57-P157 HydrophobicContact CB-CG 4.35Å; K58-P157 VanDerWaalsContact O-CG 3.27Å; K58-P157 WeakPolarHBondContact O-CG 3.37Å; D60-P157 WeakPolarHBondContact OD1-CD 3.11Å; D60-P157 WeakPolarHBondContact OD1-CG 3.4Å; P157-F159 PolarHBondContact O-N 3.49Å |
| 158 | V | 91.3 | Very high | 91.7 | Very high | 152 Ų | 152 | 98.1 Ų | 98.1 | 92% | 0.921 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 116.4 | 170.7 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | K156 | K156-V158 PolarHBondContact O-N 3.11Š|
| 159 | F | 88.3 | Confident | 91.6 | Very high | 96 Ų | 96 | 101.1 Ų | 101.1 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | trans | -120.5 | 147.6 | 175.1 | 70.8 | -89.2 | 0 | 0 | 0 | 110.2 | P157 R161 | P157-F159 PolarHBondContact O-N 3.49Å; F159-R161 PolarHBondContact O-N 2.83Å | ||
| 160 | Q | 88.1 | Confident | 91.7 | Very high | 161 Ų | 161 | 102.3 Ų | 102.3 | 75% | 0.752 | 52% | 0.519 | S | S | * | . | trans | -61.4 | 135.7 | 178.9 | -68.3 | 175.1 | -7.6 | 0 | 0 | 110.8 | ||||
| 161 | R | 89.1 | Confident | 91.8 | Very high | 156 Ų | 156 | 108.6 Ų | 108.6 | 59% | 0.589 | 54% | 0.542 | S | S | * | . | trans | -57.4 | 151 | 177.6 | -60.6 | 178.8 | 85 | 174.7 | 5.9 | 109.8 | F159 D163 G164 | F159-R161 PolarHBondContact O-N 2.83Å; R161-D163 PolarHBondContact O-N 3.43Å; R161-D163 VanDerWaalsContact O-N 3.14Å; R161-G164 PolarHBondContact O-N 2.8Å | ||
| 162 | R | 87.8 | Confident | 92 | Very high | 170 Ų | 170 | 110.6 Ų | 110.6 | 64% | 0.642 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27 | -179.5 | -179 | 174.1 | 169.1 | -173 | -8.3 | 112.9 | W27 G164 | W27-R162 VanDerWaalsContact CH2-NH2 3.3Å; R162-G164 PolarHBondContact O-N 2.84Å |
| 163 | D | 89.3 | Confident | 92.1 | Very high | 113 Ų | 113 | 105.4 Ų | 105.4 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.8 | -178 | -46.3 | -40.5 | 0 | 0 | 0 | 112.3 | R161 I165 | R161-D163 PolarHBondContact O-N 3.43Å; R161-D163 VanDerWaalsContact O-N 3.14Å; D163-I165 HydrophobicContact CB-CD1 4.44Å; D163-I165 HydrophobicContact CB-CG1 4.46Å; D163-I165 PolarHBondContact O-N 2.83Å |
| 164 | G | 90.3 | Very high | 92.2 | Very high | 56 Ų | 56 | 108.1 Ų | 108.1 | 58% | 0.577 | 55% | 0.554 | S | S | * | * | trans | 77 | -4.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R161 R162 | R161-G164 PolarHBondContact O-N 2.8Å; R162-G164 PolarHBondContact O-N 2.84Å | ||
| 165 | I | 90.8 | Very high | 92.3 | Very high | 80 Ų | 80 | 117.1 Ų | 117.1 | 41% | 0.41 | 59% | 0.592 | S | S | . | * | trans | -75.9 | 128.1 | 179.1 | -58 | 170.4 | 0 | 0 | 0 | 109.6 | D163 W170 | D163-I165 HydrophobicContact CB-CD1 4.44Å; D163-I165 HydrophobicContact CB-CG1 4.46Å; D163-I165 PolarHBondContact O-N 2.83Å; I165-W170 HydrophobicContact CD1-CZ3 4.3Å; I165-W170 HydrophobicContact CG2-CE3 3.74Å; I165-W170 HydrophobicContact CG2-CZ3 4.17Å | ||
| 166 | V | 93.3 | Very high | 92.6 | Very high | 45 Ų | 45 | 116.7 Ų | 116.7 | 27% | 0.273 | 59% | 0.585 | S | S | . | * | trans | -101 | 107.9 | 171.5 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | Q168 Q169 W170 | V166-Q168 VanDerWaalsContact C-N 3.26Å; V166-Q168 PolarHBondContact O-N 2.69Å; V166-Q169 HydrophobicContact CB-CB 4.36Å; V166-Q169 HydrophobicContact CB-CG 4.43Å; V166-Q169 HydrophobicContact CG1-CB 4.39Å; V166-Q169 HydrophobicContact CG1-CG 4.04Å; V166-Q169 PolarHBondContact O-N 3.04Å; V166-W170 PolarHBondContact O-N 3.24Å | ||
| 167 | P | 92.1 | Very high | 92.7 | Very high | 81 Ų | 81 | 114.9 Ų | 114.9 | 53% | 0.526 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -56.9 | -36.5 | -173.2 | -27.9 | 35.9 | 0 | 0 | 0 | 114 | Q169 W170 | P167-Q169 PolarHBondContact O-N 3.01Å; P167-W170 VanDerWaalsContact O-CB 3.3Å; P167-W170 WeakPolarHBondContact O-CB 3.38Å; P167-W170 PolarHBondContact O-N 3.1Å; P167-W170 VanDerWaalsContact O-N 3.16Å |
| 168 | Q | 92.9 | Very high | 92.8 | Very high | 178 Ų | 178 | 115.2 Ų | 115.2 | 83% | 0.832 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -66.1 | -18.8 | 179.8 | -59.9 | 114.4 | -11.7 | 0 | 0 | 113.8 | V166 | V166-Q168 VanDerWaalsContact C-N 3.26Å; V166-Q168 PolarHBondContact O-N 2.69Å |
| 169 | Q | 94.1 | Very high | 93 | Very high | 153 Ų | 153 | 111.7 Ų | 111.7 | 72% | 0.715 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -105.6 | 3.3 | -179.6 | -63.1 | 178.9 | -4.9 | 0 | 0 | 112.1 | V166 P167 | V166-Q169 HydrophobicContact CB-CB 4.36Å; V166-Q169 HydrophobicContact CB-CG 4.43Å; V166-Q169 HydrophobicContact CG1-CB 4.39Å; V166-Q169 HydrophobicContact CG1-CG 4.04Å; V166-Q169 PolarHBondContact O-N 3.04Å; P167-Q169 PolarHBondContact O-N 3.01Å |
| 170 | W | 94.4 | Very high | 93.4 | Very high | 131 Ų | 131 | 115.2 Ų | 115.2 | 50% | 0.496 | 59% | 0.586 | S | S | . | * | trans | -66.5 | 139.4 | -178.6 | -176.7 | -99.8 | 0 | 0 | 0 | 110.8 | I165 V166 P167 D172 | I165-W170 HydrophobicContact CD1-CZ3 4.3Å; I165-W170 HydrophobicContact CG2-CE3 3.74Å; I165-W170 HydrophobicContact CG2-CZ3 4.17Å; V166-W170 PolarHBondContact O-N 3.24Å; P167-W170 VanDerWaalsContact O-CB 3.3Å; P167-W170 WeakPolarHBondContact O-CB 3.38Å; P167-W170 PolarHBondContact O-N 3.1Å; P167-W170 VanDerWaalsContact O-N 3.16Å; W170-D172 VanDerWaalsContact CD1-OD1 3.23Å; W170-D172 PolarHBondContact NE1-OD1 2.7Å | ||
| 171 | K | 95.1 | Very high | 93.7 | Very high | 182 Ų | 182 | 113.6 Ų | 113.6 | 79% | 0.791 | 58% | 0.578 | S | S | * | * | trans | -132.1 | 129.3 | 173.6 | -66.7 | -175.8 | 179 | -175.7 | 0 | 107.3 | G173 | K171-G173 PolarHBondContact O-N 2.68Š| ||
| 172 | D | 95.9 | Very high | 94 | Very high | 91 Ų | 91 | 110.1 Ų | 110.1 | 49% | 0.487 | 58% | 0.575 | S | S | . | * | trans | -66.7 | 129.1 | -177 | -62 | -24.7 | 0 | 0 | 0 | 110.4 | W170 D176 | W170-D172 VanDerWaalsContact CD1-OD1 3.23Å; W170-D172 PolarHBondContact NE1-OD1 2.7Å; D172-D176 HydrophobicContact CB-CB 4.25Å | ||
| 173 | G | 95.9 | Very high | 94.4 | Very high | 29 Ų | 29 | 108.7 Ų | 108.7 | 30% | 0.299 | 58% | 0.579 | S | S | . | * | trans | -83.5 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K171 K175 D176 | K171-G173 PolarHBondContact O-N 2.68Å; G173-K175 PolarHBondContact O-N 2.9Å; G173-D176 WeakPolarHBondContact CA-OD2 3.46Å; G173-D176 PolarHBondContact N-OD2 2.77Å; G173-D176 PolarHBondContact O-N 3.19Å | ||
| 174 | P | 96.9 | Very high | 94.8 | Very high | 144 Ų | 144 | 109.4 Ų | 109.4 | 94% | 0.935 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -7.6 | -178.1 | 28.4 | -36.4 | 0 | 0 | 0 | 114.5 | ||
| 175 | K | 96.8 | Very high | 95.1 | Very high | 198 Ų | 198 | 116.5 Ų | 116.5 | 86% | 0.861 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 7 | -179.7 | -65.4 | -173.1 | 177.1 | -174.6 | 0 | 112.8 | G173 | G173-K175 PolarHBondContact O-N 2.9Š|
| 176 | D | 96.3 | Very high | 95.3 | Very high | 77 Ų | 77 | 117.7 Ų | 117.7 | 41% | 0.412 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -98.3 | 127.8 | 179.1 | -58.5 | -40.4 | 0 | 0 | 0 | 108 | D172 G173 | D172-D176 HydrophobicContact CB-CB 4.25Å; G173-D176 WeakPolarHBondContact CA-OD2 3.46Å; G173-D176 PolarHBondContact N-OD2 2.77Å; G173-D176 PolarHBondContact O-N 3.19Å |
| 177 | T | 95.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 124.2 Ų | 124.2 | 57% | 0.571 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 143.1 | 179 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | T182 | T177-T182 VanDerWaalsContact OG1-CG2 3.23Å; T177-T182 WeakPolarHBondContact OG1-CG2 3.3Å |
| 178 | S | 95.9 | Very high | 95.6 | Very high | 33 Ų | 33 | 125.1 Ų | 125.1 | 23% | 0.231 | 63% | 0.63 | C | S | . | * | P | Polyproline II helix | trans | -66.5 | 153.2 | -177.5 | 72.3 | 0 | 0 | 0 | 0 | 112.2 | E180 E181 T182 | S178-E180 PolarHBondContact O-N 2.79Å; S178-E181 PolarHBondContact O-N 3.36Å; S178-E181 WeakPolarHBondContact OG-CB 3.21Å; S178-E181 VanDerWaalsContact OG-CG 3.29Å; S178-E181 WeakPolarHBondContact OG-CG 3.45Å; S178-E181 PolarHBondContact OG-N 3.5Å; S178-T182 WeakPolarHBondContact O-CG2 3.33Å; S178-T182 PolarHBondContact O-N 2.99Å; S178-T182 VanDerWaalsContact O-N 3.16Å; S178-T182 PolarHBondContact O-OG1 3.03Å; S178-T182 VanDerWaalsContact O-OG1 3.1Å |
| 179 | P | 95.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 122 Ų | 122 | 51% | 0.513 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -59.7 | -31.8 | 175.4 | -25.9 | 35.6 | 0 | 0 | 0 | 113.5 | T182 L183 | P179-T182 WeakPolarHBondContact CA-OG1 3.32Å; P179-T182 PolarHBondContact O-OG1 3.15Å; P179-T182 VanDerWaalsContact O-OG1 3.04Å; P179-L183 WeakPolarHBondContact O-CB 3.37Å; P179-L183 VanDerWaalsContact O-CG 3.29Å; P179-L183 WeakPolarHBondContact O-CG 3.36Å; P179-L183 PolarHBondContact O-N 2.93Å |
| 180 | E | 95.1 | Very high | 95.8 | Very high | 169 Ų | 169 | 117 Ų | 117 | 79% | 0.79 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.4 | -48.4 | -179.6 | -63 | 178.8 | -176.9 | 0 | 0 | 111.3 | S178 T182 L183 E184 | S178-E180 PolarHBondContact O-N 2.79Å; E180-T182 VanDerWaalsContact C-N 3.31Å; E180-T182 PolarHBondContact O-N 3.24Å; E180-L183 PolarHBondContact O-N 3.31Å; E180-E184 PolarHBondContact O-N 2.81Å |
| 181 | E | 95.1 | Very high | 95.9 | Very high | 127 Ų | 127 | 119.6 Ų | 119.6 | 59% | 0.593 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.4 | -36.8 | 177.1 | -72.1 | 169.9 | -158.1 | 0 | 0 | 112 | S178 E184 | S178-E181 PolarHBondContact O-N 3.36Å; S178-E181 WeakPolarHBondContact OG-CB 3.21Å; S178-E181 VanDerWaalsContact OG-CG 3.29Å; S178-E181 WeakPolarHBondContact OG-CG 3.45Å; S178-E181 PolarHBondContact OG-N 3.5Å; E181-E184 WeakPolarHBondContact O-CB 3.45Å |
| 182 | T | 94.9 | Very high | 95.9 | Very high | 84 Ų | 84 | 115.5 Ų | 115.5 | 52% | 0.515 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -75.7 | -26.6 | -177.7 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | T177 S178 P179 E180 | T177-T182 VanDerWaalsContact OG1-CG2 3.23Å; T177-T182 WeakPolarHBondContact OG1-CG2 3.3Å; S178-T182 WeakPolarHBondContact O-CG2 3.33Å; S178-T182 PolarHBondContact O-N 2.99Å; S178-T182 VanDerWaalsContact O-N 3.16Å; S178-T182 PolarHBondContact O-OG1 3.03Å; S178-T182 VanDerWaalsContact O-OG1 3.1Å; P179-T182 WeakPolarHBondContact CA-OG1 3.32Å; P179-T182 PolarHBondContact O-OG1 3.15Å; P179-T182 VanDerWaalsContact O-OG1 3.04Å; E180-T182 VanDerWaalsContact C-N 3.31Å; E180-T182 PolarHBondContact O-N 3.24Å |
| 183 | L | 97.1 | Very high | 95.9 | Very high | 140 Ų | 140 | 114.3 Ų | 114.3 | 73% | 0.733 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -90.6 | -7.9 | 177.9 | -69 | 174 | 0 | 0 | 0 | 112.8 | P179 E180 K185 | P179-L183 WeakPolarHBondContact O-CB 3.37Å; P179-L183 VanDerWaalsContact O-CG 3.29Å; P179-L183 WeakPolarHBondContact O-CG 3.36Å; P179-L183 PolarHBondContact O-N 2.93Å; E180-L183 PolarHBondContact O-N 3.31Å; L183-K185 PolarHBondContact O-N 3.12Å |
| 184 | E | 97.1 | Very high | 96 | Very high | 128 Ų | 128 | 118.8 Ų | 118.8 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | trans | -60.3 | 120.6 | 177 | -166.5 | -177.8 | 172.8 | 0 | 0 | 110.7 | E180 E181 T186 | E180-E184 PolarHBondContact O-N 2.81Å; E181-E184 WeakPolarHBondContact O-CB 3.45Å; E184-T186 HydrophobicContact CB-CG2 4.33Å; E184-T186 HydrophobicContact CG-CG2 3.9Å; E184-T186 PolarHBondContact O-N 3.26Å | ||
| 185 | K | 97 | Very high | 95.9 | Very high | 205 Ų | 205 | 117.7 Ų | 117.7 | 89% | 0.891 | 61% | 0.607 | S | S | * | * | trans | -81.9 | 85.8 | 179.1 | -67.1 | -176.4 | -176.9 | 177.3 | 0 | 109.9 | L183 | L183-K185 PolarHBondContact O-N 3.12Š| ||
| 186 | T | 95.2 | Very high | 95.8 | Very high | 105 Ų | 105 | 112.6 Ų | 112.6 | 64% | 0.644 | 59% | 0.586 | S | S | * | * | trans | -90.4 | -18.5 | -179.9 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | E184 T188 | E184-T186 HydrophobicContact CB-CG2 4.33Å; E184-T186 HydrophobicContact CG-CG2 3.9Å; E184-T186 PolarHBondContact O-N 3.26Å; T186-T188 PolarHBondContact O-N 2.96Å | ||
| 187 | Y | 95.6 | Very high | 95.7 | Very high | 182 Ų | 182 | 112 Ų | 112 | 71% | 0.714 | 58% | 0.581 | S | S | * | * | trans | -74.3 | 120.6 | -178.9 | 177.7 | -110.5 | 0 | 0 | 0 | 112 | P189 | Y187-P189 HydrophobicContact CE1-CB 4.18Š| ||
| 188 | T | 94.8 | Very high | 95.8 | Very high | 100 Ų | 100 | 110.7 Ų | 110.7 | 61% | 0.613 | 57% | 0.573 | S | S | * | * | trans | -106.5 | 121.3 | 169.6 | 49.9 | 0 | 0 | 0 | 0 | 109.5 | T186 S190 | T186-T188 PolarHBondContact O-N 2.96Å; T188-S190 PolarHBondContact O-N 3.12Å | ||
| 189 | P | 96.8 | Very high | 95.8 | Very high | 111 Ų | 111 | 112.6 Ų | 112.6 | 72% | 0.721 | 58% | 0.579 | S | S | * | * | trans | -65.9 | 127 | 179.6 | 27.1 | -33.2 | 0 | 0 | 0 | 110.5 | Y187 | Y187-P189 HydrophobicContact CE1-CB 4.18Š| ||
| 190 | S | 95.2 | Very high | 95.8 | Very high | 50 Ų | 50 | 114.5 Ų | 114.5 | 35% | 0.35 | 58% | 0.581 | S | S | . | * | trans | -133.2 | 168 | 178.3 | 82.9 | 0 | 0 | 0 | 0 | 110.4 | T188 K192 E197 | T188-S190 PolarHBondContact O-N 3.12Å; S190-K192 VanDerWaalsContact C-N 3.34Å; S190-K192 PolarHBondContact OG-N 2.9Å; S190-E197 WeakPolarHBondContact CB-OE1 3.04Å; S190-E197 PolarHBondContact OG-OE1 2.92Å | ||
| 191 | L | 96.4 | Very high | 95.8 | Very high | 185 Ų | 185 | 115.6 Ų | 115.6 | 97% | 0.969 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -91.5 | 1.6 | 173 | -63.6 | 177.6 | 0 | 0 | 0 | 112.8 | ||
| 192 | K | 95.9 | Very high | 95.9 | Very high | 96 Ų | 96 | 115.3 Ų | 115.3 | 42% | 0.417 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -87.7 | 153.5 | 179.9 | -61.9 | -171.5 | -172.8 | -169.1 | 0 | 109.9 | S190 E196 E197 E200 | S190-K192 VanDerWaalsContact C-N 3.34Å; S190-K192 PolarHBondContact OG-N 2.9Å; K192-E196 HydrophobicContact CB-CB 4.37Å; K192-E197 HydrophobicContact CB-CG 3.62Å; K192-E197 HydrophobicContact CD-CG 4.13Å; K192-E197 HydrophobicContact CG-CG 4.47Å; K192-E200 IonicContact NZ-OE1 3.1Å; K192-E200 PolarHBondContact NZ-OE1 3.47Å; K192-E200 IonicContact NZ-OE2 2.69Å; K192-E200 PolarHBondContact NZ-OE2 3.27Å |
| 193 | T | 96.1 | Very high | 95.9 | Very high | 66 Ų | 66 | 114.2 Ų | 114.2 | 41% | 0.405 | 59% | 0.59 | S | S | . | * | trans | -76.9 | 161 | 168.7 | 63.6 | 0 | 0 | 0 | 0 | 110.6 | E195 E196 E197 | T193-E195 WeakPolarHBondContact CB-OE2 3.3Å; T193-E195 PolarHBondContact O-N 3.26Å; T193-E195 PolarHBondContact OG1-OE2 3.03Å; T193-E196 PolarHBondContact N-OE2 3.36Å; T193-E196 PolarHBondContact O-N 3.25Å; T193-E196 VanDerWaalsContact OG1-CG 3.23Å; T193-E196 WeakPolarHBondContact OG1-CG 3.2Å; T193-E196 PolarHBondContact OG1-N 2.94Å; T193-E197 PolarHBondContact O-N 3.47Å | ||
| 194 | L | 96.3 | Very high | 95.8 | Very high | 122 Ų | 122 | 112 Ų | 112 | 64% | 0.639 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.8 | -39.9 | 176.7 | -179.8 | 152.1 | 0 | 0 | 0 | 110.7 | E197 V198 | L194-E197 PolarHBondContact O-N 3.16Å; L194-V198 HydrophobicContact CD2-CG2 3.87Å; L194-V198 HydrophobicContact CG-CG2 4.27Å; L194-V198 WeakPolarHBondContact O-CB 3Å; L194-V198 WeakPolarHBondContact O-CG2 3.43Å; L194-V198 PolarHBondContact O-N 3.1Å |
| 195 | E | 95.1 | Very high | 95.7 | Very high | 122 Ų | 122 | 114.4 Ų | 114.4 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.4 | -44.7 | 179.4 | -62 | 80.2 | -176.1 | 0 | 0 | 111.4 | T193 V198 M199 | T193-E195 WeakPolarHBondContact CB-OE2 3.3Å; T193-E195 PolarHBondContact O-N 3.26Å; T193-E195 PolarHBondContact OG1-OE2 3.03Å; E195-V198 PolarHBondContact O-N 3.44Å; E195-M199 WeakPolarHBondContact O-CB 3.28Å; E195-M199 VanDerWaalsContact O-CG 3.27Å; E195-M199 WeakPolarHBondContact O-CG 3.31Å; E195-M199 PolarHBondContact O-N 2.93Å |
| 196 | E | 94.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 110.3 Ų | 110.3 | 43% | 0.425 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.4 | -48.2 | 177.1 | -72.6 | 168.2 | 177.9 | 0 | 0 | 111.5 | K192 T193 V198 M199 E200 | K192-E196 HydrophobicContact CB-CB 4.37Å; T193-E196 PolarHBondContact N-OE2 3.36Å; T193-E196 PolarHBondContact O-N 3.25Å; T193-E196 VanDerWaalsContact OG1-CG 3.23Å; T193-E196 WeakPolarHBondContact OG1-CG 3.2Å; T193-E196 PolarHBondContact OG1-N 2.94Å; E196-V198 PolarHBondContact O-N 2.9Å; E196-M199 PolarHBondContact O-N 2.9Å; E196-E200 WeakPolarHBondContact O-CG 3.44Å; E196-E200 PolarHBondContact O-N 3.34Å |
| 197 | E | 95.8 | Very high | 95.3 | Very high | 65 Ų | 65 | 111.2 Ų | 111.2 | 30% | 0.304 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.5 | -40 | 178.8 | -69.1 | -171.8 | 159 | 0 | 0 | 112.8 | S190 K192 T193 L194 K201 | S190-E197 WeakPolarHBondContact CB-OE1 3.04Å; S190-E197 PolarHBondContact OG-OE1 2.92Å; K192-E197 HydrophobicContact CB-CG 3.62Å; K192-E197 HydrophobicContact CD-CG 4.13Å; K192-E197 HydrophobicContact CG-CG 4.47Å; T193-E197 PolarHBondContact O-N 3.47Å; L194-E197 PolarHBondContact O-N 3.16Å; E197-K201 WeakPolarHBondContact O-CB 3.39Å; E197-K201 PolarHBondContact O-N 3.07Å |
| 198 | V | 96.1 | Very high | 95.2 | Very high | 64 Ų | 64 | 112.4 Ų | 112.4 | 39% | 0.388 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.3 | -41.1 | 177.8 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | L194 E195 E196 K201 L202 | L194-V198 HydrophobicContact CD2-CG2 3.87Å; L194-V198 HydrophobicContact CG-CG2 4.27Å; L194-V198 WeakPolarHBondContact O-CB 3Å; L194-V198 WeakPolarHBondContact O-CG2 3.43Å; L194-V198 PolarHBondContact O-N 3.1Å; E195-V198 PolarHBondContact O-N 3.44Å; E196-V198 PolarHBondContact O-N 2.9Å; V198-K201 PolarHBondContact O-N 2.87Å; V198-L202 HydrophobicContact CG1-CD1 3.7Å; V198-L202 HydrophobicContact CG1-CG 4.29Å; V198-L202 WeakPolarHBondContact O-CB 3.49Å; V198-L202 VanDerWaalsContact O-CG 3.28Å; V198-L202 WeakPolarHBondContact O-CG 3.42Å; V198-L202 PolarHBondContact O-N 3.37Å |
| 199 | M | 95.9 | Very high | 95.1 | Very high | 74 Ų | 74 | 118.9 Ų | 118.9 | 37% | 0.365 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.1 | -47.9 | 174.7 | -76.9 | -170.6 | -61.7 | 0 | 0 | 111.3 | E195 E196 K201 L202 G203 I204 | E195-M199 WeakPolarHBondContact O-CB 3.28Å; E195-M199 VanDerWaalsContact O-CG 3.27Å; E195-M199 WeakPolarHBondContact O-CG 3.31Å; E195-M199 PolarHBondContact O-N 2.93Å; E196-M199 PolarHBondContact O-N 2.9Å; M199-K201 PolarHBondContact O-N 3.46Å; M199-L202 PolarHBondContact O-N 3.49Å; M199-G203 PolarHBondContact O-N 3.23Å; M199-I204 HydrophobicContact CB-CB 4.31Å; M199-I204 HydrophobicContact CG-CB 4.36Å; M199-I204 HydrophobicContact CG-CG2 4.5Å; M199-I204 PolarHBondContact O-N 3.44Å |
| 200 | E | 94.8 | Very high | 94.9 | Very high | 118 Ų | 118 | 121.1 Ų | 121.1 | 55% | 0.551 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.3 | -44.4 | 176.2 | -73.4 | 179.7 | 177.1 | 0 | 0 | 112 | K192 E196 L202 G203 | K192-E200 IonicContact NZ-OE1 3.1Å; K192-E200 PolarHBondContact NZ-OE1 3.47Å; K192-E200 IonicContact NZ-OE2 2.69Å; K192-E200 PolarHBondContact NZ-OE2 3.27Å; E196-E200 WeakPolarHBondContact O-CG 3.44Å; E196-E200 PolarHBondContact O-N 3.34Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 2.76Å; E200-G203 PolarHBondContact O-N 3.49Å; E200-G203 VanDerWaalsContact O-N 3.15Å |
| 201 | K | 95.4 | Very high | 94.9 | Very high | 192 Ų | 192 | 129.8 Ų | 129.8 | 84% | 0.835 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.7 | -33.3 | -179.7 | -172.5 | 174.5 | -177.3 | 176.4 | 0 | 112.9 | E197 V198 M199 G203 | E197-K201 WeakPolarHBondContact O-CB 3.39Å; E197-K201 PolarHBondContact O-N 3.07Å; V198-K201 PolarHBondContact O-N 2.87Å; M199-K201 PolarHBondContact O-N 3.46Å; K201-G203 VanDerWaalsContact C-N 3.33Å |
| 202 | L | 96.9 | Very high | 94.8 | Very high | 122 Ų | 122 | 131 Ų | 131 | 64% | 0.639 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -85.9 | -4.8 | 175.9 | -66.5 | 176.2 | 0 | 0 | 0 | 113 | V198 M199 E200 I204 | V198-L202 HydrophobicContact CG1-CD1 3.7Å; V198-L202 HydrophobicContact CG1-CG 4.29Å; V198-L202 WeakPolarHBondContact O-CB 3.49Å; V198-L202 VanDerWaalsContact O-CG 3.28Å; V198-L202 WeakPolarHBondContact O-CG 3.42Å; V198-L202 PolarHBondContact O-N 3.37Å; M199-L202 PolarHBondContact O-N 3.49Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 2.76Å; L202-I204 VanDerWaalsContact C-N 3.3Å; L202-I204 HydrophobicContact CB-CD1 3.8Å; L202-I204 HydrophobicContact CB-CG1 3.84Å; L202-I204 HydrophobicContact CD1-CD1 3.9Å; L202-I204 PolarHBondContact O-N 3.17Å |
| 203 | G | 95.9 | Very high | 94.8 | Very high | 60 Ų | 60 | 131.2 Ų | 131.2 | 62% | 0.619 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.1 | 29.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | M199 E200 K201 | M199-G203 PolarHBondContact O-N 3.23Å; E200-G203 PolarHBondContact O-N 3.49Å; E200-G203 VanDerWaalsContact O-N 3.15Å; K201-G203 VanDerWaalsContact C-N 3.33Å |
| 204 | I | 95.7 | Very high | 94.7 | Very high | 93 Ų | 93 | 138.3 Ų | 138.3 | 48% | 0.477 | 66% | 0.656 | S | S | . | * | trans | -85.5 | 118.9 | 179.3 | -59.7 | 170.8 | 0 | 0 | 0 | 108.6 | M199 L202 | M199-I204 HydrophobicContact CB-CB 4.31Å; M199-I204 HydrophobicContact CG-CB 4.36Å; M199-I204 HydrophobicContact CG-CG2 4.5Å; M199-I204 PolarHBondContact O-N 3.44Å; L202-I204 VanDerWaalsContact C-N 3.3Å; L202-I204 HydrophobicContact CB-CD1 3.8Å; L202-I204 HydrophobicContact CB-CG1 3.84Å; L202-I204 HydrophobicContact CD1-CD1 3.9Å; L202-I204 PolarHBondContact O-N 3.17Å | ||
| 205 | E | 93.5 | Very high | 94.4 | Very high | 179 Ų | 179 | 143.7 Ų | 143.7 | 84% | 0.836 | 67% | 0.668 | S | S | * | * | trans | -104.7 | 123.2 | 175.6 | -63 | -178.2 | 177.3 | 0 | 0 | 110.1 | P207 | E205-P207 WeakPolarHBondContact O-CD 3.39Š| ||
| 206 | E | 91.3 | Very high | 94 | Very high | 120 Ų | 120 | 151.6 Ų | 151.6 | 56% | 0.561 | 70% | 0.695 | S | S | * | * | trans | -109.5 | 97.3 | 172.9 | -178.3 | 54 | -110.4 | 0 | 0 | 109.9 | R208 | E206-R208 VanDerWaalsContact C-N 3.26Å; E206-R208 PolarHBondContact O-N 3.12Å; E206-R208 WeakPolarHBondContact OE1-CB 3.4Å; E206-R208 WeakPolarHBondContact OE1-CD 3.36Å; E206-R208 WeakPolarHBondContact OE1-CG 3.34Å; E206-R208 PolarHBondContact OE1-N 3.38Å | ||
| 207 | P | 93.4 | Very high | 94 | Very high | 123 Ų | 123 | 154.6 Ų | 154.6 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | trans | -75.6 | -13.9 | -177.5 | 29.8 | -35.2 | 0 | 0 | 0 | 113 | E205 | E205-P207 WeakPolarHBondContact O-CD 3.39Š| ||
| 208 | R | 94.1 | Very high | 93.9 | Very high | 207 Ų | 207 | 159.3 Ų | 159.3 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 143 | -179 | -56.3 | 169.6 | 178.3 | 174.4 | 1.8 | 110.4 | E206 | E206-R208 VanDerWaalsContact C-N 3.26Å; E206-R208 PolarHBondContact O-N 3.12Å; E206-R208 WeakPolarHBondContact OE1-CB 3.4Å; E206-R208 WeakPolarHBondContact OE1-CD 3.36Å; E206-R208 WeakPolarHBondContact OE1-CG 3.34Å; E206-R208 PolarHBondContact OE1-N 3.38Å |
| 209 | R | 91.9 | Very high | 93.8 | Very high | 236 Ų | 236 | 164.6 Ų | 164.6 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 135.3 | 173.2 | -168.8 | 174.9 | -179.6 | 177.1 | 2.9 | 111 | R211 | R209-R211 PolarHBondContact O-N 2.98Š|
| 210 | N | 92.8 | Very high | 93.6 | Very high | 159 Ų | 159 | 169.9 Ų | 169.9 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 129.8 | 172.9 | -77.3 | -15.8 | 0 | 0 | 0 | 110.9 | ||
| 211 | R | 94.2 | Very high | 93.6 | Very high | 232 Ų | 232 | 173.2 Ų | 173.2 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 150.8 | 174.4 | -66.2 | -175.3 | 176.6 | -171.5 | -0.8 | 109.6 | R209 T213 | R209-R211 PolarHBondContact O-N 2.98Å; R211-T213 PolarHBondContact O-N 3.35Å |
| 212 | K | 95.5 | Very high | 93.4 | Very high | 209 Ų | 209 | 171.9 Ų | 171.9 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.8 | 175 | -67.9 | -177.3 | 178.9 | -179.1 | 0 | 109.8 | ||
| 213 | T | 95.6 | Very high | 93.2 | Very high | 102 Ų | 102 | 175.5 Ų | 175.5 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | trans | -120.2 | 147 | 174.9 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | R211 W215 | R211-T213 PolarHBondContact O-N 3.35Å; T213-W215 PolarHBondContact OG1-NE1 3.09Å | ||
| 214 | Y | 93.6 | Very high | 93 | Very high | 215 Ų | 215 | 184.4 Ų | 184.4 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -91.6 | 137.8 | 173.9 | -59.9 | -86 | 0 | 0 | 0 | 109.4 | ||||
| 215 | W | 90.8 | Very high | 92.8 | Very high | 234 Ų | 234 | 192 Ų | 192 | 89% | 0.886 | 83% | 0.832 | S | S | * | * | trans | -118.7 | 117.5 | 172.6 | -68.8 | 81.1 | 0 | 0 | 0 | 106.9 | T213 | T213-W215 PolarHBondContact OG1-NE1 3.09Š| ||
| 216 | Y | 86.4 | Confident | 92.7 | Very high | 288 Ų | 288 | 193.2 Ų | 193.2 | 100% | 1.129 | 83% | 0.832 | S | S | * | * | trans | -131.8 | 0 | -179.1 | 57.5 | -97.8 | 0 | 0 | 0 | 110.4 |
Retrieved 216 of 216 residues in 341.8 ms
(Link to these results)