| 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 | 40.4 | Very low | 52 | Low | 242 Ų | 242 | 144.1 Ų | 144.1 | 100% | 1.192 | 78% | 0.778 | S | S | * | * | 0 | 83.6 | 0 | -69.8 | 152.9 | 102 | 0 | 0 | 106.7 | |||||
| 2 | S | 36.6 | Very low | 52.6 | Low | 125 Ų | 125 | 141.8 Ų | 141.8 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | 70.1 | 114.5 | 98.9 | -161.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 3 | Q | 45.6 | Very low | 53.1 | Low | 189 Ų | 189 | 141.8 Ų | 141.8 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | -51.8 | 144.9 | 179.4 | -63.2 | 178.4 | -17.2 | 0 | 0 | 114 | ||||
| 4 | R | 40 | Very low | 53.8 | Low | 247 Ų | 247 | 138.9 Ų | 138.9 | 93% | 0.932 | 74% | 0.736 | S | S | * | * | -166.8 | 119.3 | 124.4 | -120.8 | 174 | 179.7 | -172.6 | -1.4 | 110.9 | |||||
| 5 | G | 52.2 | Low | 54.1 | Low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 72% | 0.723 | S | S | * | * | trans | -65 | 139 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 6 | S | 55.6 | Low | 54.4 | Low | 120 Ų | 120 | 131.9 Ų | 131.9 | 84% | 0.839 | 70% | 0.704 | S | S | * | * | trans | -124 | 98.5 | 166.1 | -157.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 7 | V | 63.1 | Low | 54.7 | Low | 93 Ų | 93 | 126.4 Ų | 126.4 | 56% | 0.564 | 69% | 0.685 | S | S | * | * | trans | -77.4 | 127.7 | 176.6 | -165.5 | 0 | 0 | 0 | 0 | 106.8 | L9 W11 | V7-L9 PolarHBondContact O-N 2.85Å; V7-W11 HydrophobicContact CG1-CB 4.28Å; V7-W11 HydrophobicContact CG1-CD2 4.11Å; V7-W11 HydrophobicContact CG1-CE3 3.37Å; V7-W11 HydrophobicContact CG1-CZ3 3.96Å | ||
| 8 | P | 62.3 | Low | 54.7 | Low | 90 Ų | 90 | 126.1 Ų | 126.1 | 58% | 0.584 | 68% | 0.682 | S | S | * | * | trans | -66.1 | 133.7 | -170.5 | 25.4 | -33.3 | 0 | 0 | 0 | 110.4 | L10 W11 | P8-L10 PolarHBondContact O-N 2.82Å; P8-W11 WeakPolarHBondContact O-CB 3.41Å; P8-W11 PolarHBondContact O-N 2.62Å | ||
| 9 | L | 59.1 | Low | 54.8 | Low | 122 Ų | 122 | 124 Ų | 124 | 64% | 0.639 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -43.6 | -26.9 | 180 | -157 | 82.3 | 0 | 0 | 0 | 114 | V7 W11 L12 F13 | V7-L9 PolarHBondContact O-N 2.85Å; L9-W11 VanDerWaalsContact C-N 3.3Å; L9-W11 PolarHBondContact O-N 3.46Å; L9-L12 WeakPolarHBondContact O-CB 3.27Å; L9-L12 PolarHBondContact O-N 3.19Å; L9-F13 HydrophobicContact CD2-CE2 3.71Å; L9-F13 HydrophobicContact CG-CD2 4.34Å; L9-F13 HydrophobicContact CG-CE2 3.82Å; L9-F13 WeakPolarHBondContact O-CD2 3.12Å; L9-F13 PolarHBondContact O-N 3.34Å |
| 10 | L | 59.2 | Low | 54.6 | Low | 125 Ų | 125 | 124.2 Ų | 124.2 | 65% | 0.654 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -63.8 | -30.3 | 176.8 | -134.2 | 140.9 | 0 | 0 | 0 | 113.3 | P8 F13 I14 | P8-L10 PolarHBondContact O-N 2.82Å; L10-F13 PolarHBondContact O-N 3.03Å; L10-I14 HydrophobicContact CD2-CD1 4.1Å; L10-I14 WeakPolarHBondContact O-CG1 3.31Å; L10-I14 PolarHBondContact O-N 3.11Å; L10-I14 VanDerWaalsContact O-N 3.16Å |
| 11 | W | 58 | Low | 54.5 | Low | 153 Ų | 153 | 123.5 Ų | 123.5 | 58% | 0.58 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.1 | -32.9 | 175.5 | -157.1 | 50.9 | 0 | 0 | 0 | 112.4 | V7 P8 L9 I14 Q15 | V7-W11 HydrophobicContact CG1-CB 4.28Å; V7-W11 HydrophobicContact CG1-CD2 4.11Å; V7-W11 HydrophobicContact CG1-CE3 3.37Å; V7-W11 HydrophobicContact CG1-CZ3 3.96Å; P8-W11 WeakPolarHBondContact O-CB 3.41Å; P8-W11 PolarHBondContact O-N 2.62Å; L9-W11 VanDerWaalsContact C-N 3.3Å; L9-W11 PolarHBondContact O-N 3.46Å; W11-I14 PolarHBondContact O-N 2.75Å; W11-Q15 PolarHBondContact O-N 3.42Å |
| 12 | L | 59.1 | Low | 55.1 | Low | 116 Ų | 116 | 115.2 Ų | 115.2 | 61% | 0.607 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.7 | -37.6 | 172 | -78.1 | 165.2 | 0 | 0 | 0 | 111.6 | L9 Q15 A16 | L9-L12 WeakPolarHBondContact O-CB 3.27Å; L9-L12 PolarHBondContact O-N 3.19Å; L12-Q15 PolarHBondContact O-N 2.89Å; L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 3.27Å |
| 13 | F | 59.4 | Low | 55.5 | Low | 142 Ų | 142 | 113.8 Ų | 113.8 | 62% | 0.623 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.9 | -35.8 | 175.5 | -75.8 | -66.6 | 0 | 0 | 0 | 112.9 | L9 L10 A16 G17 | L9-F13 HydrophobicContact CD2-CE2 3.71Å; L9-F13 HydrophobicContact CG-CD2 4.34Å; L9-F13 HydrophobicContact CG-CE2 3.82Å; L9-F13 WeakPolarHBondContact O-CD2 3.12Å; L9-F13 PolarHBondContact O-N 3.34Å; L10-F13 PolarHBondContact O-N 3.03Å; F13-A16 PolarHBondContact O-N 2.86Å; F13-G17 PolarHBondContact O-N 2.95Å |
| 14 | I | 63 | Low | 55.7 | Low | 101 Ų | 101 | 113.9 Ų | 113.9 | 52% | 0.518 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.6 | -39.5 | 175.2 | -67.2 | 165.8 | 0 | 0 | 0 | 110.9 | L10 W11 G17 L18 | L10-I14 HydrophobicContact CD2-CD1 4.1Å; L10-I14 WeakPolarHBondContact O-CG1 3.31Å; L10-I14 PolarHBondContact O-N 3.11Å; L10-I14 VanDerWaalsContact O-N 3.16Å; W11-I14 PolarHBondContact O-N 2.75Å; I14-G17 PolarHBondContact O-N 2.85Å; I14-L18 PolarHBondContact O-N 3.08Å |
| 15 | Q | 58.6 | Low | 56.1 | Low | 117 Ų | 117 | 107.6 Ų | 107.6 | 55% | 0.547 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.6 | -38.3 | 172.3 | -74 | -135.9 | -32.8 | 0 | 0 | 112.7 | W11 L12 G17 L18 V19 | W11-Q15 PolarHBondContact O-N 3.42Å; L12-Q15 PolarHBondContact O-N 2.89Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; Q15-G17 PolarHBondContact O-N 3.45Å; Q15-L18 PolarHBondContact O-N 2.97Å; Q15-V19 VanDerWaalsContact O-CG2 3.29Å; Q15-V19 WeakPolarHBondContact O-CG2 3.24Å; Q15-V19 PolarHBondContact O-N 2.98Å |
| 16 | A | 58.6 | Low | 55.6 | Low | 50 Ų | 50 | 110.6 Ų | 110.6 | 41% | 0.413 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.4 | -36.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L12 F13 L20 | L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 3.27Å; F13-A16 PolarHBondContact O-N 2.86Å; A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 PolarHBondContact O-N 2.71Å |
| 17 | G | 58.5 | Low | 55.1 | Low | 37 Ų | 37 | 113 Ų | 113 | 38% | 0.381 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.3 | -40 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F13 I14 Q15 L20 V21 | F13-G17 PolarHBondContact O-N 2.95Å; I14-G17 PolarHBondContact O-N 2.85Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; Q15-G17 PolarHBondContact O-N 3.45Å; G17-L20 PolarHBondContact O-N 3.28Å; G17-V21 WeakPolarHBondContact O-CG2 3.36Å; G17-V21 PolarHBondContact O-N 2.9Å |
| 18 | L | 55.7 | Low | 54 | Low | 121 Ų | 121 | 116.6 Ų | 116.6 | 63% | 0.634 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71 | -32.7 | 177.3 | -153.4 | 122.5 | 0 | 0 | 0 | 112.1 | I14 Q15 S22 | I14-L18 PolarHBondContact O-N 3.08Å; Q15-L18 PolarHBondContact O-N 2.97Å; L18-S22 WeakPolarHBondContact O-CB 3.41Å; L18-S22 PolarHBondContact O-N 2.91Å; L18-S22 PolarHBondContact O-OG 2.92Å |
| 19 | V | 55.8 | Low | 53.4 | Low | 87 Ų | 87 | 118.4 Ų | 118.4 | 53% | 0.527 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -70.5 | -39.2 | 172.7 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | Q15 V21 S22 C23 | Q15-V19 VanDerWaalsContact O-CG2 3.29Å; Q15-V19 WeakPolarHBondContact O-CG2 3.24Å; Q15-V19 PolarHBondContact O-N 2.98Å; V19-V21 VanDerWaalsContact C-N 3.33Å; V19-V21 PolarHBondContact O-N 3.37Å; V19-S22 PolarHBondContact O-N 3.28Å; V19-C23 PolarHBondContact O-N 3.16Å; V19-C23 PolarHBondContact O-SG 3.08Å |
| 20 | L | 51.9 | Low | 52.5 | Low | 127 Ų | 127 | 115.1 Ų | 115.1 | 67% | 0.665 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.7 | -29.3 | 175.2 | -88.3 | 163.3 | 0 | 0 | 0 | 113.5 | A16 G17 | A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 PolarHBondContact O-N 2.71Å; G17-L20 PolarHBondContact O-N 3.28Å |
| 21 | V | 52.4 | Low | 51.7 | Low | 111 Ų | 111 | 115 Ų | 115 | 67% | 0.673 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -79.7 | -26.5 | 173.1 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | G17 V19 F24 | G17-V21 WeakPolarHBondContact O-CG2 3.36Å; G17-V21 PolarHBondContact O-N 2.9Å; V19-V21 VanDerWaalsContact C-N 3.33Å; V19-V21 PolarHBondContact O-N 3.37Å; V21-F24 PolarHBondContact O-N 2.77Å |
| 22 | S | 52.3 | Low | 50.8 | Low | 68 Ų | 68 | 111 Ų | 111 | 48% | 0.476 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -79.5 | -19.8 | 173.5 | -51.7 | 0 | 0 | 0 | 0 | 113.2 | L18 V19 F24 | L18-S22 WeakPolarHBondContact O-CB 3.41Å; L18-S22 PolarHBondContact O-N 2.91Å; L18-S22 PolarHBondContact O-OG 2.92Å; V19-S22 PolarHBondContact O-N 3.28Å; S22-F24 PolarHBondContact O-N 3.27Å |
| 23 | C | 46.2 | Very low | 50 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 64% | 0.635 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 1.6 | 170.9 | -70.1 | 0 | 0 | 0 | 0 | 113.8 | V19 | V19-C23 PolarHBondContact O-N 3.16Å; V19-C23 PolarHBondContact O-SG 3.08Å |
| 24 | F | 48.1 | Very low | 49 | Very low | 192 Ų | 192 | 106.4 Ų | 106.4 | 84% | 0.842 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 7.8 | 177.7 | -115.8 | -90.5 | 0 | 0 | 0 | 114.3 | V21 S22 | V21-F24 PolarHBondContact O-N 2.77Å; S22-F24 PolarHBondContact O-N 3.27Å |
| 25 | T | 49 | Very low | 48.3 | Very low | 115 Ų | 115 | 107.3 Ų | 107.3 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | trans | -133.8 | 69.6 | 172.9 | 60.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 26 | D | 42.8 | Very low | 47.6 | Very low | 142 Ų | 142 | 106.2 Ų | 106.2 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | trans | -137.2 | 78 | 160.6 | -132.2 | -38.8 | 0 | 0 | 0 | 108.2 | ||||
| 27 | M | 44.9 | Very low | 46.9 | Very low | 169 Ų | 169 | 109.5 Ų | 109.5 | 83% | 0.833 | 68% | 0.684 | S | S | * | * | trans | -101.1 | 73.2 | 164.4 | -166.9 | 94.4 | 68.8 | 0 | 0 | 106.5 | T29 | M27-T29 PolarHBondContact O-N 3.31Å; M27-T29 PolarHBondContact O-OG1 2.91Å | ||
| 28 | E | 39.1 | Very low | 46.4 | Very low | 169 Ų | 169 | 114 Ų | 114 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | trans | -55.3 | 90.6 | 163.1 | -172.1 | 97.7 | 131.6 | 0 | 0 | 107.7 | G30 | E28-G30 PolarHBondContact O-N 2.95Š| ||
| 29 | T | 50.1 | Low | 45.9 | Very low | 129 Ų | 129 | 114.2 Ų | 114.2 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | trans | -89.5 | 90.7 | 174.7 | -52.3 | 0 | 0 | 0 | 0 | 107 | M27 | M27-T29 PolarHBondContact O-N 3.31Å; M27-T29 PolarHBondContact O-OG1 2.91Å | ||
| 30 | G | 39.8 | Very low | 45.6 | Very low | 53 Ų | 53 | 115.2 Ų | 115.2 | 55% | 0.546 | 71% | 0.706 | S | S | . | * | trans | -177.6 | 143.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E28 | E28-G30 PolarHBondContact O-N 2.95Š| ||
| 31 | P | 42.5 | Very low | 46.1 | Very low | 123 Ų | 123 | 112.4 Ų | 112.4 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | cis | -88.3 | 130.4 | -23.3 | 28.6 | -15.1 | 0 | 0 | 0 | 108.3 | A33 | P31-A33 PolarHBondContact O-N 2.91Š| ||
| 32 | G | 38.9 | Very low | 47.3 | Very low | 69 Ų | 69 | 112.3 Ų | 112.3 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | trans | -48.1 | 116.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | G34 | G32-G34 PolarHBondContact O-N 3.44Š| ||
| 33 | A | 41.4 | Very low | 49.2 | Very low | 87 Ų | 87 | 114.7 Ų | 114.7 | 72% | 0.719 | 71% | 0.706 | S | S | * | * | trans | -37.6 | 120.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 105.2 | P31 V35 | P31-A33 PolarHBondContact O-N 2.91Å; A33-V35 PolarHBondContact O-N 3.21Å | ||
| 34 | G | 40 | Very low | 51.5 | Low | 74 Ų | 74 | 112.1 Ų | 112.1 | 76% | 0.763 | 68% | 0.683 | S | S | * | * | trans | -51.3 | 97.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | G32 S36 | G32-G34 PolarHBondContact O-N 3.44Å; G34-S36 PolarHBondContact O-N 3.43Å | ||
| 35 | V | 48.3 | Very low | 53.7 | Low | 120 Ų | 120 | 106.7 Ų | 106.7 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | trans | -61.8 | 94.4 | 150.2 | 178.6 | 0 | 0 | 0 | 0 | 99.2 | A33 T37 | A33-V35 PolarHBondContact O-N 3.21Å; V35-T37 PolarHBondContact O-N 3.37Å | ||
| 36 | S | 43.6 | Very low | 55.9 | Low | 94 Ų | 94 | 101.2 Ų | 101.2 | 66% | 0.657 | 63% | 0.626 | S | S | * | * | trans | -59.8 | 82.2 | 157.5 | 55.7 | 0 | 0 | 0 | 0 | 103.8 | G34 Q38 | G34-S36 PolarHBondContact O-N 3.43Å; S36-Q38 PolarHBondContact O-N 3Å | ||
| 37 | T | 44.1 | Very low | 58.4 | Low | 119 Ų | 119 | 98.1 Ų | 98.1 | 73% | 0.73 | 61% | 0.607 | S | S | * | * | trans | -64.1 | 80.2 | 154.4 | -56.4 | 0 | 0 | 0 | 0 | 102.9 | V35 | V35-T37 PolarHBondContact O-N 3.37Š| ||
| 38 | Q | 48.3 | Very low | 60.8 | Low | 132 Ų | 132 | 90.4 Ų | 90.4 | 62% | 0.617 | 57% | 0.571 | S | S | * | * | trans | -60.7 | 125.6 | 167.2 | -78.6 | -107.2 | -25.3 | 0 | 0 | 104.9 | S36 N40 | S36-Q38 PolarHBondContact O-N 3Å; Q38-N40 PolarHBondContact O-N 3.48Å | ||
| 39 | P | 44.3 | Very low | 63.5 | Low | 124 Ų | 124 | 88.2 Ų | 88.2 | 81% | 0.805 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -76.2 | 26.8 | -179.2 | 33.6 | -35.1 | 0 | 0 | 0 | 111.9 | ||
| 40 | N | 50.3 | Low | 65.7 | Low | 108 Ų | 108 | 82 Ų | 82 | 58% | 0.578 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -111.9 | 112.8 | 177.4 | -82.1 | -8.8 | 0 | 0 | 0 | 107.1 | Q38 D42 | Q38-N40 PolarHBondContact O-N 3.48Å; N40-D42 PolarHBondContact O-N 3.37Å |
| 41 | G | 61.8 | Low | 68.3 | Low | 69 Ų | 69 | 81.9 Ų | 81.9 | 71% | 0.711 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -30.7 | 113.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K43 | G41-K43 VanDerWaalsContact C-N 3.29Å; G41-K43 WeakPolarHBondContact O-CG 3.41Å; G41-K43 PolarHBondContact O-N 3.46Å |
| 42 | D | 77.7 | Confident | 70.8 | Confident | 109 Ų | 109 | 76.5 Ų | 76.5 | 58% | 0.583 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 17.5 | 58.9 | 170.2 | -56.8 | -13.6 | 0 | 0 | 0 | 116.9 | N40 F44 | N40-D42 PolarHBondContact O-N 3.37Å; D42-F44 HydrophobicContact CB-CE2 4.08Å; D42-F44 HydrophobicContact CB-CZ 4.05Å; D42-F44 WeakPolarHBondContact O-CE2 3.48Å |
| 43 | K | 91.3 | Very high | 73.3 | Confident | 118 Ų | 118 | 77.4 Ų | 77.4 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | trans | -95.9 | 136.9 | 168 | -68.3 | -173.1 | -178.5 | -157.8 | 0 | 110.3 | G41 D87 | G41-K43 VanDerWaalsContact C-N 3.29Å; G41-K43 WeakPolarHBondContact O-CG 3.41Å; G41-K43 PolarHBondContact O-N 3.46Å; K43-D87 HydrophobicContact CD-CB 3.93Å; K43-D87 WeakPolarHBondContact CD-OD1 3.39Å; K43-D87 IonicContact NZ-OD1 3.4Å; K43-D87 PolarHBondContact NZ-OD1 3.32Å | ||
| 44 | F | 94.4 | Very high | 75.7 | Confident | 39 Ų | 39 | 77.7 Ų | 77.7 | 17% | 0.171 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 170.9 | -176.6 | -54.6 | -79.2 | 0 | 0 | 0 | 111.5 | D42 D87 I88 I111 S113 M117 | D42-F44 HydrophobicContact CB-CE2 4.08Å; D42-F44 HydrophobicContact CB-CZ 4.05Å; D42-F44 WeakPolarHBondContact O-CE2 3.48Å; F44-D87 PolarHBondContact O-N 3.16Å; F44-I88 PolarHBondContact N-O 3.33Å; F44-I88 PolarHBondContact O-N 2.89Å; F44-I111 HydrophobicContact CB-CG2 4.09Å; F44-I111 HydrophobicContact CD2-CG2 3.54Å; F44-I111 HydrophobicContact CE2-CG2 4.13Å; F44-I111 HydrophobicContact CG-CG2 3.79Å; F44-S113 WeakPolarHBondContact CZ-O 3.25Å; F44-M117 HydrophobicContact CB-CE 3.55Å; F44-M117 HydrophobicContact CG-CE 4.19Å |
| 45 | K | 94.3 | Very high | 78.3 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 34% | 0.343 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.6 | -179.5 | -179.6 | -176.8 | -177.4 | -160.3 | 0 | 110.1 | E47 V85 N86 | K45-E47 HydrophobicContact CD-CG 4.05Å; K45-E47 WeakPolarHBondContact CD-OE1 3.4Å; K45-E47 WeakPolarHBondContact CE-OE1 2.93Å; K45-E47 HydrophobicContact CG-CG 3.99Å; K45-E47 IonicContact NZ-OE1 2.64Å; K45-E47 PolarHBondContact NZ-OE1 2.91Å; K45-V85 CarbonylContact C-O 3.56Å; K45-V85 VanDerWaalsContact CA-O 3.31Å; K45-V85 WeakPolarHBondContact CA-O 3.07Å; K45-N86 WeakPolarHBondContact CD-OD1 3.39Å; K45-N86 WeakPolarHBondContact CE-OD1 3.25Å; K45-N86 VanDerWaalsContact CG-OD1 3.31Å; K45-N86 WeakPolarHBondContact CG-OD1 3.33Å |
| 46 | I | 95.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 128.9 | 171.5 | -59.8 | 177.6 | 0 | 0 | 0 | 108.6 | A84 V85 I88 L95 V109 I111 L137 | I46-A84 WeakPolarHBondContact O-CA 3.34Å; I46-V85 PolarHBondContact N-O 3.34Å; I46-V85 PolarHBondContact O-N 3.49Å; I46-I88 HydrophobicContact CB-CD1 4.11Å; I46-I88 HydrophobicContact CD1-CD1 3.44Å; I46-I88 VanDerWaalsContact CD1-CD1 3.44Å; I46-I88 HydrophobicContact CD1-CG2 4.5Å; I46-I88 HydrophobicContact CG1-CD1 3.58Å; I46-L95 HydrophobicContact CD1-CD1 4.46Å; I46-L95 HydrophobicContact CG2-CD1 3.65Å; I46-V109 HydrophobicContact CD1-CB 4.21Å; I46-V109 HydrophobicContact CD1-CG1 4.08Å; I46-V109 HydrophobicContact CG1-CG1 4.34Å; I46-V109 HydrophobicContact CG2-CG2 4.46Å; I46-I111 HydrophobicContact CD1-CD1 4.04Å; I46-I111 HydrophobicContact CG1-CD1 3.95Å; I46-L137 HydrophobicContact CG2-CD1 3.89Å |
| 47 | E | 95.3 | Very high | 82.8 | Confident | 77 Ų | 77 | 75 Ų | 75 | 36% | 0.36 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 145.8 | -179.9 | -61.4 | -172.4 | 167.5 | 0 | 0 | 111.7 | K45 Y135 L137 | K45-E47 HydrophobicContact CD-CG 4.05Å; K45-E47 WeakPolarHBondContact CD-OE1 3.4Å; K45-E47 WeakPolarHBondContact CE-OE1 2.93Å; K45-E47 HydrophobicContact CG-CG 3.99Å; K45-E47 IonicContact NZ-OE1 2.64Å; K45-E47 PolarHBondContact NZ-OE1 2.91Å; E47-Y135 PolarHBondContact N-OH 3.35Å; E47-L137 PolarHBondContact O-N 2.91Å |
| 48 | G | 95.7 | Very high | 85.1 | Confident | 7 Ų | 7 | 76 Ų | 76 | 7% | 0.072 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | -177.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S82 F83 L137 | G48-S82 CarbonylContact O-C 3.57Å; G48-S82 VanDerWaalsContact O-CA 3.31Å; G48-S82 WeakPolarHBondContact O-CA 3.01Å; G48-F83 VanDerWaalsContact C-CE1 3.47Å; G48-F83 PolarHBondContact N-O 3Å; G48-F83 VanDerWaalsContact N-O 3.13Å; G48-F83 PolarHBondContact O-N 3.29Å; G48-L137 CarbonylContact C-O 3.55Å; G48-L137 WeakPolarHBondContact CA-O 3.39Å |
| 49 | R | 95.8 | Very high | 87.2 | Confident | 122 Ų | 122 | 75 Ų | 75 | 46% | 0.46 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 129.5 | 175.7 | -166.8 | 178.5 | -171.9 | -159.6 | 1.1 | 109.7 | I51 D80 G81 L137 Q138 I139 | R49-I51 HydrophobicContact CG-CG1 4.16Å; R49-D80 PolarHBondContact NE-O 3.5Å; R49-D80 PolarHBondContact NH2-O 3Å; R49-G81 CarbonylContact C-O 3.54Å; R49-G81 WeakPolarHBondContact CA-O 3.08Å; R49-L137 PolarHBondContact N-O 3.3Å; R49-Q138 WeakPolarHBondContact O-CA 3.46Å; R49-I139 PolarHBondContact O-N 3.08Å |
| 50 | A | 95.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 132.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | W60 L77 G81 V97 F104 I139 | A50-W60 HydrophobicContact CB-CH2 3.7Å; A50-W60 HydrophobicContact CB-CZ3 4.5Å; A50-L77 HydrophobicContact CB-CD2 3.78Å; A50-G81 PolarHBondContact N-O 3.44Å; A50-V97 HydrophobicContact CB-CG1 4.25Å; A50-V97 HydrophobicContact CB-CG2 4.36Å; A50-F104 HydrophobicContact CB-CE1 4.04Å; A50-F104 HydrophobicContact CB-CZ 4.25Å; A50-I139 CarbonylContact C-O 3.6Å; A50-I139 WeakPolarHBondContact CA-O 3.44Å |
| 51 | I | 94.6 | Very high | 91.7 | Very high | 50 Ų | 50 | 64.9 Ų | 64.9 | 26% | 0.256 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 124.7 | -172.3 | -55.3 | 173 | 0 | 0 | 0 | 108.8 | R49 I139 R140 A141 | R49-I51 HydrophobicContact CG-CG1 4.16Å; I51-I139 PolarHBondContact N-O 3.34Å; I51-R140 WeakPolarHBondContact O-CA 3.38Å; I51-A141 PolarHBondContact O-N 2.92Å |
| 52 | V | 95.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 66.6 Ų | 66.6 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | trans | -102.3 | 113.5 | 168.7 | -178 | 0 | 0 | 0 | 0 | 107.5 | G54 V55 W60 Y102 F104 A141 | V52-G54 PolarHBondContact O-N 2.71Å; V52-V55 HydrophobicContact CB-CB 4.2Å; V52-V55 HydrophobicContact CG1-CB 3.78Å; V52-V55 HydrophobicContact CG1-CG2 3.75Å; V52-V55 PolarHBondContact O-N 3.29Å; V52-W60 HydrophobicContact CG2-CD2 3.93Å; V52-W60 VanDerWaalsContact CG2-CE2 3.49Å; V52-W60 HydrophobicContact CG2-CG 4.33Å; V52-W60 HydrophobicContact CG2-CH2 4.4Å; V52-W60 HydrophobicContact CG2-CZ2 3.79Å; V52-Y102 HydrophobicContact CG1-CD1 3.74Å; V52-Y102 HydrophobicContact CG1-CD2 4.36Å; V52-Y102 HydrophobicContact CG1-CE1 3.68Å; V52-Y102 HydrophobicContact CG1-CE2 4.31Å; V52-Y102 HydrophobicContact CG1-CG 4.1Å; V52-Y102 HydrophobicContact CG2-CD2 3.99Å; V52-Y102 HydrophobicContact CG2-CE2 4.45Å; V52-Y102 HydrophobicContact CG2-CG 4.03Å; V52-F104 HydrophobicContact CG2-CE1 4.4Å; V52-F104 HydrophobicContact CG2-CZ 3.72Å; V52-A141 HydrophobicContact CB-CB 4.43Å; V52-A141 HydrophobicContact CG1-CB 4.38Å; V52-A141 HydrophobicContact CG2-CB 3.99Å | ||
| 53 | P | 92.6 | Very high | 94 | Very high | 88 Ų | 88 | 64.5 Ų | 64.5 | 57% | 0.571 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 129.3 | 179.1 | -23.5 | 34 | 0 | 0 | 0 | 111.5 | V55 | P53-V55 VanDerWaalsContact C-N 3.3Å; P53-V55 PolarHBondContact O-N 3.49Å |
| 54 | G | 91.6 | Very high | 94.2 | Very high | 93 Ų | 93 | 59.1 Ų | 59.1 | 96% | 0.959 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -0.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | V52 | V52-G54 PolarHBondContact O-N 2.71Š|
| 55 | V | 93.4 | Very high | 94.3 | Very high | 45 Ų | 45 | 63.9 Ų | 63.9 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -121.6 | 138.5 | -179.5 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | V52 P53 D59 Y102 | V52-V55 HydrophobicContact CB-CB 4.2Å; V52-V55 HydrophobicContact CG1-CB 3.78Å; V52-V55 HydrophobicContact CG1-CG2 3.75Å; V52-V55 PolarHBondContact O-N 3.29Å; P53-V55 VanDerWaalsContact C-N 3.3Å; P53-V55 PolarHBondContact O-N 3.49Å; V55-D59 HydrophobicContact CG1-CB 4.42Å; V55-Y102 HydrophobicContact CG2-CE1 4.36Å |
| 56 | K | 93.6 | Very high | 94.4 | Very high | 153 Ų | 153 | 60.1 Ų | 60.1 | 67% | 0.665 | 33% | 0.33 | S | S | * | . | trans | -69.2 | 142.6 | 176.6 | -65.6 | 179.3 | -179.9 | 177.1 | 0 | 109.8 | Q58 D59 | K56-Q58 VanDerWaalsContact C-N 3.3Å; K56-Q58 PolarHBondContact O-N 3.19Å; K56-D59 PolarHBondContact O-N 2.94Å | ||
| 57 | T | 93.5 | Very high | 94.5 | Very high | 34 Ų | 34 | 61.1 Ų | 61.1 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -61.9 | -37.3 | -177.8 | 47.5 | 0 | 0 | 0 | 0 | 112.9 | D59 W60 V61 T79 | T57-D59 PolarHBondContact O-N 3.09Å; T57-D59 VanDerWaalsContact O-N 3.14Å; T57-W60 HydrophobicContact CG2-CZ2 4.42Å; T57-W60 PolarHBondContact O-N 2.76Å; T57-V61 WeakPolarHBondContact O-CB 3.15Å; T57-V61 WeakPolarHBondContact O-CG2 3.48Å; T57-V61 PolarHBondContact O-N 2.75Å; T57-V61 VanDerWaalsContact O-N 3.09Å; T57-T79 WeakPolarHBondContact CB-O 3.06Å; T57-T79 PolarHBondContact OG1-O 2.91Å |
| 58 | Q | 92.3 | Very high | 94.5 | Very high | 140 Ų | 140 | 57.5 Ų | 57.5 | 65% | 0.654 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -60.2 | -26.3 | -177.7 | -66.3 | 174.3 | -27.6 | 0 | 0 | 113.8 | K56 W60 | K56-Q58 VanDerWaalsContact C-N 3.3Å; K56-Q58 PolarHBondContact O-N 3.19Å; Q58-W60 PolarHBondContact O-N 3.29Å |
| 59 | D | 92.8 | Very high | 94.4 | Very high | 111 Ų | 111 | 61.7 Ų | 61.7 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -76 | -24.5 | -174 | -58.9 | -23 | 0 | 0 | 0 | 112.7 | V55 K56 T57 | V55-D59 HydrophobicContact CG1-CB 4.42Å; K56-D59 PolarHBondContact O-N 2.94Å; T57-D59 PolarHBondContact O-N 3.09Å; T57-D59 VanDerWaalsContact O-N 3.14Å |
| 60 | W | 93.8 | Very high | 94 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -24.1 | -171 | 65.7 | -93.6 | 0 | 0 | 0 | 114.6 | A50 V52 T57 Q58 S62 T63 A64 L77 Y102 F104 | A50-W60 HydrophobicContact CB-CH2 3.7Å; A50-W60 HydrophobicContact CB-CZ3 4.5Å; V52-W60 HydrophobicContact CG2-CD2 3.93Å; V52-W60 VanDerWaalsContact CG2-CE2 3.49Å; V52-W60 HydrophobicContact CG2-CG 4.33Å; V52-W60 HydrophobicContact CG2-CH2 4.4Å; V52-W60 HydrophobicContact CG2-CZ2 3.79Å; T57-W60 HydrophobicContact CG2-CZ2 4.42Å; T57-W60 PolarHBondContact O-N 2.76Å; Q58-W60 PolarHBondContact O-N 3.29Å; W60-S62 PolarHBondContact O-N 3.06Å; W60-S62 VanDerWaalsContact O-N 3.16Å; W60-T63 PolarHBondContact O-N 3.04Å; W60-T63 PolarHBondContact O-OG1 3.2Å; W60-A64 HydrophobicContact CE3-CB 3.78Å; W60-A64 HydrophobicContact CZ3-CB 3.7Å; W60-A64 PolarHBondContact O-N 3.24Å; W60-L77 HydrophobicContact CH2-CD2 3.47Å; W60-L77 VanDerWaalsContact CH2-CD2 3.47Å; W60-L77 HydrophobicContact CZ3-CD2 3.49Å; W60-L77 VanDerWaalsContact CZ3-CD2 3.49Å; W60-Y102 HydrophobicContact CB-CD2 4.08Å; W60-Y102 HydrophobicContact CB-CE2 3.76Å; W60-Y102 HydrophobicContact CG-CD2 4.26Å; W60-Y102 HydrophobicContact CG-CE2 4.08Å; W60-F104 AromaticContact CH2-CZ 3.83Å; W60-F104 HydrophobicContact CH2-CZ 3.83Å; W60-F104 HydrophobicContact CZ2-CZ 4.44Å; W60-F104 HydrophobicContact CZ3-CE2 4.09Å; W60-F104 AromaticContact CZ3-CZ 3.86Å; W60-F104 HydrophobicContact CZ3-CZ 3.86Å |
| 61 | V | 94.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 65.1 Ų | 65.1 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -56.4 | -34.3 | -177.5 | 162.6 | 0 | 0 | 0 | 0 | 112.1 | T57 T63 A64 L77 R78 | T57-V61 WeakPolarHBondContact O-CB 3.15Å; T57-V61 WeakPolarHBondContact O-CG2 3.48Å; T57-V61 PolarHBondContact O-N 2.75Å; T57-V61 VanDerWaalsContact O-N 3.09Å; V61-T63 PolarHBondContact O-N 3.37Å; V61-A64 PolarHBondContact O-N 3.19Å; V61-A64 VanDerWaalsContact O-N 3.08Å; V61-L77 HydrophobicContact CB-CB 4.45Å; V61-L77 HydrophobicContact CG1-CB 3.64Å; V61-L77 WeakPolarHBondContact CG1-O 3.11Å; V61-L77 HydrophobicContact CG2-CB 4.28Å; V61-L77 HydrophobicContact CG2-CD2 4.33Å; V61-R78 VanDerWaalsContact CG1-O 3.25Å; V61-R78 WeakPolarHBondContact CG1-O 3.38Å |
| 62 | S | 93.3 | Very high | 93.8 | Very high | 105 Ų | 105 | 68.3 Ų | 68.3 | 73% | 0.734 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -60.2 | -27.3 | 179 | 57 | 0 | 0 | 0 | 0 | 114.1 | W60 | W60-S62 PolarHBondContact O-N 3.06Å; W60-S62 VanDerWaalsContact O-N 3.16Å |
| 63 | T | 94.1 | Very high | 93.8 | Very high | 65 Ų | 65 | 69.8 Ų | 69.8 | 40% | 0.399 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -98.9 | -5.2 | 179.6 | 66.6 | 0 | 0 | 0 | 0 | 113 | W60 V61 T99 | W60-T63 PolarHBondContact O-N 3.04Å; W60-T63 PolarHBondContact O-OG1 3.2Å; V61-T63 PolarHBondContact O-N 3.37Å; T63-T99 PolarHBondContact OG1-OG1 3.29Å |
| 64 | A | 95.9 | Very high | 94 | Very high | 5 Ų | 5 | 68.9 Ų | 68.9 | 4% | 0.041 | 39% | 0.388 | C | S | . | . | trans | -95.1 | 144.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112 | W60 V61 L77 V98 | W60-A64 HydrophobicContact CE3-CB 3.78Å; W60-A64 HydrophobicContact CZ3-CB 3.7Å; W60-A64 PolarHBondContact O-N 3.24Å; V61-A64 PolarHBondContact O-N 3.19Å; V61-A64 VanDerWaalsContact O-N 3.08Å; A64-L77 HydrophobicContact CB-CD1 3.75Å; A64-L77 HydrophobicContact CB-CD2 4.23Å; A64-V98 CarbonylContact C-O 3.59Å; A64-V98 VanDerWaalsContact CA-O 3.28Å; A64-V98 WeakPolarHBondContact CA-O 3.25Å | ||
| 65 | R | 95.9 | Very high | 94.2 | Very high | 139 Ų | 139 | 64.6 Ų | 64.6 | 53% | 0.525 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147.9 | 173.8 | -63.7 | -176.7 | -178.2 | 179.9 | -0.7 | 109.6 | L67 F76 V97 V98 | R65-L67 HydrophobicContact CB-CD2 4.23Å; R65-F76 HydrophobicContact CG-CE1 4.32Å; R65-V97 CarbonylContact O-C 3.43Å; R65-V98 PolarHBondContact N-O 3.25Å; R65-V98 PolarHBondContact O-N 3.31Å |
| 66 | V | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.4 | 171 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | V74 G75 L77 F83 V85 L95 E96 V97 | V66-V74 WeakPolarHBondContact O-CA 3.22Å; V66-G75 PolarHBondContact N-O 3.18Å; V66-G75 PolarHBondContact O-N 3.09Å; V66-L77 HydrophobicContact CG2-CD1 3.52Å; V66-L77 HydrophobicContact CG2-CG 4.11Å; V66-F83 HydrophobicContact CB-CD2 4.43Å; V66-F83 HydrophobicContact CG1-CD2 3.98Å; V66-F83 HydrophobicContact CG1-CE2 4.04Å; V66-F83 HydrophobicContact CG2-CB 3.75Å; V66-F83 HydrophobicContact CG2-CD1 4.14Å; V66-F83 HydrophobicContact CG2-CD2 3.92Å; V66-F83 HydrophobicContact CG2-CG 3.68Å; V66-V85 HydrophobicContact CB-CG2 4.35Å; V66-V85 HydrophobicContact CG1-CG2 3.91Å; V66-L95 HydrophobicContact CG1-CD1 3.92Å; V66-L95 HydrophobicContact CG1-CD2 3.83Å; V66-L95 HydrophobicContact CG1-CG 3.79Å; V66-E96 WeakPolarHBondContact CA-O 3.48Å; V66-V97 HydrophobicContact CG2-CG2 4.34Å |
| 67 | L | 96.8 | Very high | 94.4 | Very high | 21 Ų | 21 | 62.5 Ų | 62.5 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.2 | 178.7 | -51.8 | -177.1 | 0 | 0 | 0 | 108.4 | R65 E71 V74 L95 E96 V98 | R65-L67 HydrophobicContact CB-CD2 4.23Å; L67-E71 HydrophobicContact CD1-CG 3.89Å; L67-E71 HydrophobicContact CD2-CG 3.99Å; L67-E71 HydrophobicContact CG-CG 4.41Å; L67-V74 HydrophobicContact CD2-CG1 4.27Å; L67-V74 HydrophobicContact CD2-CG2 4.19Å; L67-L95 WeakPolarHBondContact O-CA 3.2Å; L67-E96 PolarHBondContact N-O 3.41Å; L67-E96 PolarHBondContact O-N 3.48Å; L67-V98 HydrophobicContact CD1-CB 4.22Å; L67-V98 HydrophobicContact CD1-CG2 3.5Å; L67-V98 HydrophobicContact CG-CG2 3.98Å |
| 68 | V | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.7 | 172.6 | -174.9 | 0 | 0 | 0 | 0 | 107.2 | G70 E72 Y73 V85 I88 Y93 V94 L95 | V68-G70 PolarHBondContact O-N 3.09Å; V68-E72 PolarHBondContact O-N 3.45Å; V68-Y73 HydrophobicContact CB-CD2 4.27Å; V68-Y73 HydrophobicContact CG1-CD2 4.2Å; V68-Y73 PolarHBondContact N-O 3.19Å; V68-Y73 PolarHBondContact O-N 3.42Å; V68-V85 HydrophobicContact CG2-CB 4.34Å; V68-V85 HydrophobicContact CG2-CG1 4.03Å; V68-V85 HydrophobicContact CG2-CG2 4.05Å; V68-I88 HydrophobicContact CG2-CD1 4.41Å; V68-Y93 HydrophobicContact CG1-CD1 4.11Å; V68-Y93 HydrophobicContact CG1-CG 3.99Å; V68-V94 WeakPolarHBondContact CA-O 3.2Å; V68-L95 HydrophobicContact CG2-CD1 4.1Å; V68-L95 HydrophobicContact CG2-CG 4.26Å |
| 69 | E | 93.8 | Very high | 94.5 | Very high | 95 Ų | 95 | 66.7 Ų | 66.7 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 52.6 | -179.4 | -155.5 | 62.8 | -156.9 | 0 | 0 | 113.2 | E71 E72 Y93 V94 | E69-E71 PolarHBondContact O-N 3.34Å; E69-E72 HydrophobicContact CB-CB 4.27Å; E69-E72 PolarHBondContact O-N 2.89Å; E69-Y93 HydrophobicContact CB-CD1 4.39Å; E69-V94 PolarHBondContact N-O 2.87Å; E69-V94 PolarHBondContact OE2-N 2.84Å |
| 70 | G | 87.7 | Confident | 94.5 | Very high | 72 Ų | 72 | 64.8 Ų | 64.8 | 74% | 0.742 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 41.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V68 | V68-G70 PolarHBondContact O-N 3.09Š|
| 71 | E | 92.1 | Very high | 94.5 | Very high | 123 Ų | 123 | 64.6 Ų | 64.6 | 58% | 0.575 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | 7.1 | 179.8 | -47.7 | -168.5 | 145.3 | 0 | 0 | 116.3 | L67 E69 Y73 V74 | L67-E71 HydrophobicContact CD1-CG 3.89Å; L67-E71 HydrophobicContact CD2-CG 3.99Å; L67-E71 HydrophobicContact CG-CG 4.41Å; E69-E71 PolarHBondContact O-N 3.34Å; E71-Y73 VanDerWaalsContact C-N 3.28Å; E71-Y73 PolarHBondContact O-N 2.95Å; E71-V74 HydrophobicContact CB-CG2 4.35Å |
| 72 | E | 94.1 | Very high | 94.6 | Very high | 116 Ų | 116 | 65 Ų | 65 | 54% | 0.542 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -42.1 | 172.4 | -168.3 | -174.3 | 158.8 | 0 | 0 | 111.5 | V68 E69 | V68-E72 PolarHBondContact O-N 3.45Å; E69-E72 HydrophobicContact CB-CB 4.27Å; E69-E72 PolarHBondContact O-N 2.89Å |
| 73 | Y | 95.3 | Very high | 94.7 | Very high | 42 Ų | 42 | 60.2 Ų | 60.2 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.6 | 169.1 | -44.7 | -97.6 | 0 | 0 | 0 | 109.9 | V68 E71 D87 I88 P89 Y93 | V68-Y73 HydrophobicContact CB-CD2 4.27Å; V68-Y73 HydrophobicContact CG1-CD2 4.2Å; V68-Y73 PolarHBondContact N-O 3.19Å; V68-Y73 PolarHBondContact O-N 3.42Å; E71-Y73 VanDerWaalsContact C-N 3.28Å; E71-Y73 PolarHBondContact O-N 2.95Å; Y73-D87 WeakPolarHBondContact CE1-O 3.26Å; Y73-I88 HydrophobicContact CD1-CG1 3.95Å; Y73-I88 HydrophobicContact CD2-CG1 4.38Å; Y73-I88 HydrophobicContact CE1-CG1 4.42Å; Y73-I88 HydrophobicContact CG-CG1 3.96Å; Y73-P89 WeakPolarHBondContact OH-CD 3.31Å; Y73-Y93 HydrophobicContact CE2-CE1 4.26Å |
| 74 | V | 95.8 | Very high | 94.7 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130 | -178.5 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | V66 L67 E71 F76 | V66-V74 WeakPolarHBondContact O-CA 3.22Å; L67-V74 HydrophobicContact CD2-CG1 4.27Å; L67-V74 HydrophobicContact CD2-CG2 4.19Å; E71-V74 HydrophobicContact CB-CG2 4.35Å; V74-F76 HydrophobicContact CG1-CZ 4.31Å |
| 75 | G | 95.2 | Very high | 94.7 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 161.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V66 | V66-G75 PolarHBondContact N-O 3.18Å; V66-G75 PolarHBondContact O-N 3.09Å |
| 76 | F | 95.7 | Very high | 94.7 | Very high | 135 Ų | 135 | 55.7 Ų | 55.7 | 59% | 0.592 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.6 | 177 | -61.1 | -79.7 | 0 | 0 | 0 | 110.4 | R65 V74 | R65-F76 HydrophobicContact CG-CE1 4.32Å; V74-F76 HydrophobicContact CG1-CZ 4.31Å |
| 77 | L | 95.9 | Very high | 94.5 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 10% | 0.099 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 143.9 | 175.9 | -66.2 | 81.5 | 0 | 0 | 0 | 109.6 | A50 W60 V61 A64 V66 S82 F83 V97 | A50-L77 HydrophobicContact CB-CD2 3.78Å; W60-L77 HydrophobicContact CH2-CD2 3.47Å; W60-L77 VanDerWaalsContact CH2-CD2 3.47Å; W60-L77 HydrophobicContact CZ3-CD2 3.49Å; W60-L77 VanDerWaalsContact CZ3-CD2 3.49Å; V61-L77 HydrophobicContact CB-CB 4.45Å; V61-L77 HydrophobicContact CG1-CB 3.64Å; V61-L77 WeakPolarHBondContact CG1-O 3.11Å; V61-L77 HydrophobicContact CG2-CB 4.28Å; V61-L77 HydrophobicContact CG2-CD2 4.33Å; A64-L77 HydrophobicContact CB-CD1 3.75Å; A64-L77 HydrophobicContact CB-CD2 4.23Å; V66-L77 HydrophobicContact CG2-CD1 3.52Å; V66-L77 HydrophobicContact CG2-CG 4.11Å; L77-S82 CarbonylContact C-O 3.5Å; L77-S82 WeakPolarHBondContact CA-O 3.33Å; L77-F83 HydrophobicContact CG-CB 4.22Å; L77-V97 HydrophobicContact CD1-CG1 4.42Å; L77-V97 HydrophobicContact CD2-CG1 4.38Å |
| 78 | R | 95.4 | Very high | 94.4 | Very high | 160 Ų | 160 | 59.1 Ų | 59.1 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | trans | -84.3 | 166.1 | 169.4 | -68.8 | 178.4 | 176.3 | 174.6 | -2.2 | 110.2 | V61 D80 G81 S82 | V61-R78 VanDerWaalsContact CG1-O 3.25Å; V61-R78 WeakPolarHBondContact CG1-O 3.38Å; R78-D80 WeakPolarHBondContact CB-OD1 3.24Å; R78-D80 PolarHBondContact O-N 2.91Å; R78-G81 WeakPolarHBondContact O-CA 3.37Å; R78-G81 PolarHBondContact O-N 2.97Å; R78-S82 WeakPolarHBondContact CD-OG 3.35Å; R78-S82 PolarHBondContact N-O 2.83Å | ||
| 79 | T | 93.6 | Very high | 94.3 | Very high | 102 Ų | 102 | 61.4 Ų | 61.4 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.9 | -177.7 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | T57 G81 | T57-T79 WeakPolarHBondContact CB-O 3.06Å; T57-T79 PolarHBondContact OG1-O 2.91Å; T79-G81 VanDerWaalsContact C-N 3.33Å |
| 80 | D | 92.7 | Very high | 94.4 | Very high | 72 Ų | 72 | 59.6 Ų | 59.6 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -0.3 | 176.7 | 67.2 | -20.9 | 0 | 0 | 0 | 113.7 | R49 R78 S82 | R49-D80 PolarHBondContact NE-O 3.5Å; R49-D80 PolarHBondContact NH2-O 3Å; R78-D80 WeakPolarHBondContact CB-OD1 3.24Å; R78-D80 PolarHBondContact O-N 2.91Å; D80-S82 VanDerWaalsContact C-N 3.31Å; D80-S82 WeakPolarHBondContact OD1-CB 3.33Å; D80-S82 PolarHBondContact OD1-N 2.85Å; D80-S82 PolarHBondContact OD1-OG 3.27Å; D80-S82 WeakPolarHBondContact OD2-CB 3.09Å; D80-S82 PolarHBondContact OD2-OG 3.03Å |
| 81 | G | 93.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 82 | 2.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | R49 A50 R78 T79 | R49-G81 CarbonylContact C-O 3.54Å; R49-G81 WeakPolarHBondContact CA-O 3.08Å; A50-G81 PolarHBondContact N-O 3.44Å; R78-G81 WeakPolarHBondContact O-CA 3.37Å; R78-G81 PolarHBondContact O-N 2.97Å; T79-G81 VanDerWaalsContact C-N 3.33Å |
| 82 | S | 96.3 | Very high | 94.7 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 15% | 0.154 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 151.7 | 174.5 | 68.7 | 0 | 0 | 0 | 0 | 110.9 | G48 L77 R78 D80 | G48-S82 CarbonylContact O-C 3.57Å; G48-S82 VanDerWaalsContact O-CA 3.31Å; G48-S82 WeakPolarHBondContact O-CA 3.01Å; L77-S82 CarbonylContact C-O 3.5Å; L77-S82 WeakPolarHBondContact CA-O 3.33Å; R78-S82 WeakPolarHBondContact CD-OG 3.35Å; R78-S82 PolarHBondContact N-O 2.83Å; D80-S82 VanDerWaalsContact C-N 3.31Å; D80-S82 WeakPolarHBondContact OD1-CB 3.33Å; D80-S82 PolarHBondContact OD1-N 2.85Å; D80-S82 PolarHBondContact OD1-OG 3.27Å; D80-S82 WeakPolarHBondContact OD2-CB 3.09Å; D80-S82 PolarHBondContact OD2-OG 3.03Å |
| 83 | F | 96.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 156.1 | 176.5 | 66.5 | -96.5 | 0 | 0 | 0 | 111 | G48 V66 L77 V85 L95 L137 I139 | G48-F83 VanDerWaalsContact C-CE1 3.47Å; G48-F83 PolarHBondContact N-O 3Å; G48-F83 VanDerWaalsContact N-O 3.13Å; G48-F83 PolarHBondContact O-N 3.29Å; V66-F83 HydrophobicContact CB-CD2 4.43Å; V66-F83 HydrophobicContact CG1-CD2 3.98Å; V66-F83 HydrophobicContact CG1-CE2 4.04Å; V66-F83 HydrophobicContact CG2-CB 3.75Å; V66-F83 HydrophobicContact CG2-CD1 4.14Å; V66-F83 HydrophobicContact CG2-CD2 3.92Å; V66-F83 HydrophobicContact CG2-CG 3.68Å; L77-F83 HydrophobicContact CG-CB 4.22Å; F83-V85 HydrophobicContact CD2-CG2 4.41Å; F83-L95 HydrophobicContact CE2-CD1 3.77Å; F83-L95 HydrophobicContact CE2-CD2 4.21Å; F83-L95 HydrophobicContact CZ-CD1 4.26Å; F83-L95 HydrophobicContact CZ-CD2 3.97Å; F83-L137 HydrophobicContact CE2-CD1 4.45Å; F83-L137 HydrophobicContact CZ-CB 4.31Å; F83-L137 HydrophobicContact CZ-CD1 4.08Å; F83-I139 HydrophobicContact CE1-CD1 4.06Å; F83-I139 HydrophobicContact CZ-CD1 3.88Å |
| 84 | A | 95.1 | Very high | 94.8 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 21% | 0.207 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 127.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109 | I46 | I46-A84 WeakPolarHBondContact O-CA 3.34Å |
| 85 | V | 95.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.4 | 171.6 | -163.5 | 0 | 0 | 0 | 0 | 107.4 | K45 I46 V66 V68 F83 I88 | K45-V85 CarbonylContact C-O 3.56Å; K45-V85 VanDerWaalsContact CA-O 3.31Å; K45-V85 WeakPolarHBondContact CA-O 3.07Å; I46-V85 PolarHBondContact N-O 3.34Å; I46-V85 PolarHBondContact O-N 3.49Å; V66-V85 HydrophobicContact CB-CG2 4.35Å; V66-V85 HydrophobicContact CG1-CG2 3.91Å; V68-V85 HydrophobicContact CG2-CB 4.34Å; V68-V85 HydrophobicContact CG2-CG1 4.03Å; V68-V85 HydrophobicContact CG2-CG2 4.05Å; F83-V85 HydrophobicContact CD2-CG2 4.41Å; V85-I88 HydrophobicContact CB-CD1 3.73Å; V85-I88 HydrophobicContact CG1-CD1 3.68Å; V85-I88 HydrophobicContact CG1-CG1 4.3Å |
| 86 | N | 94.3 | Very high | 94.9 | Very high | 88 Ų | 88 | 49.3 Ų | 49.3 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 172.4 | -176.3 | -53.2 | -49.8 | 0 | 0 | 0 | 110.8 | K45 I88 | K45-N86 WeakPolarHBondContact CD-OD1 3.39Å; K45-N86 WeakPolarHBondContact CE-OD1 3.25Å; K45-N86 VanDerWaalsContact CG-OD1 3.31Å; K45-N86 WeakPolarHBondContact CG-OD1 3.33Å; N86-I88 VanDerWaalsContact C-N 3.35Å; N86-I88 PolarHBondContact O-N 3.14Å |
| 87 | D | 93.2 | Very high | 94.9 | Very high | 93 Ų | 93 | 43.2 Ų | 43.2 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 66.5 | 27.3 | 171.2 | -68.7 | -69.5 | 0 | 0 | 0 | 115.9 | K43 F44 Y73 | K43-D87 HydrophobicContact CD-CB 3.93Å; K43-D87 WeakPolarHBondContact CD-OD1 3.39Å; K43-D87 IonicContact NZ-OD1 3.4Å; K43-D87 PolarHBondContact NZ-OD1 3.32Å; F44-D87 PolarHBondContact O-N 3.16Å; Y73-D87 WeakPolarHBondContact CE1-O 3.26Å |
| 88 | I | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 122 | -175.9 | -58.2 | 169.2 | 0 | 0 | 0 | 110.2 | F44 I46 V68 Y73 V85 N86 Y93 I111 | F44-I88 PolarHBondContact N-O 3.33Å; F44-I88 PolarHBondContact O-N 2.89Å; I46-I88 HydrophobicContact CB-CD1 4.11Å; I46-I88 HydrophobicContact CD1-CD1 3.44Å; I46-I88 VanDerWaalsContact CD1-CD1 3.44Å; I46-I88 HydrophobicContact CD1-CG2 4.5Å; I46-I88 HydrophobicContact CG1-CD1 3.58Å; V68-I88 HydrophobicContact CG2-CD1 4.41Å; Y73-I88 HydrophobicContact CD1-CG1 3.95Å; Y73-I88 HydrophobicContact CD2-CG1 4.38Å; Y73-I88 HydrophobicContact CE1-CG1 4.42Å; Y73-I88 HydrophobicContact CG-CG1 3.96Å; V85-I88 HydrophobicContact CB-CD1 3.73Å; V85-I88 HydrophobicContact CG1-CD1 3.68Å; V85-I88 HydrophobicContact CG1-CG1 4.3Å; N86-I88 VanDerWaalsContact C-N 3.35Å; N86-I88 PolarHBondContact O-N 3.14Å; I88-Y93 HydrophobicContact CG2-CD2 3.79Å; I88-Y93 HydrophobicContact CG2-CE1 4.3Å; I88-Y93 HydrophobicContact CG2-CE2 3.42Å; I88-Y93 VanDerWaalsContact CG2-CE2 3.42Å; I88-Y93 HydrophobicContact CG2-CG 4.38Å; I88-I111 HydrophobicContact CB-CD1 4.35Å; I88-I111 HydrophobicContact CG2-CD1 3.68Å |
| 89 | P | 94.9 | Very high | 94.9 | Very high | 48 Ų | 48 | 38.1 Ų | 38.1 | 31% | 0.312 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 172.7 | 177.2 | 21.1 | -20.9 | 0 | 0 | 0 | 112.4 | Y73 G91 Y93 | Y73-P89 WeakPolarHBondContact OH-CD 3.31Å; P89-G91 PolarHBondContact O-N 3.05Å; P89-Y93 WeakPolarHBondContact CG-OH 3.2Å; P89-Y93 VanDerWaalsContact O-CE2 3.29Å; P89-Y93 WeakPolarHBondContact O-CE2 3.4Å; P89-Y93 PolarHBondContact O-OH 3.41Å; P89-Y93 VanDerWaalsContact O-OH 3.12Å |
| 90 | S | 94.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 36.5 Ų | 36.5 | 39% | 0.392 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -67.4 | 130 | 172.8 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 91 | G | 93.7 | Very high | 94.9 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 26% | 0.258 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 175.2 | -176.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P89 I111 | P89-G91 PolarHBondContact O-N 3.05Å; G91-I111 PolarHBondContact N-O 3.44Å; G91-I111 PolarHBondContact O-N 2.85Å |
| 92 | S | 93.9 | Very high | 95 | Very high | 61 Ų | 61 | 38.4 Ų | 38.4 | 43% | 0.427 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125 | 168.5 | -63.4 | 0 | 0 | 0 | 0 | 108.3 | R108 D110 | S92-R108 PolarHBondContact OG-NH2 3.36Å; S92-D110 WeakPolarHBondContact CB-OD1 3.16Å; S92-D110 PolarHBondContact OG-OD1 2.87Å |
| 93 | Y | 95.6 | Very high | 95 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 9% | 0.09 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.9 | -176.8 | -57.1 | -80.8 | 0 | 0 | 0 | 110.9 | V68 E69 Y73 I88 P89 R108 V109 I111 | V68-Y93 HydrophobicContact CG1-CD1 4.11Å; V68-Y93 HydrophobicContact CG1-CG 3.99Å; E69-Y93 HydrophobicContact CB-CD1 4.39Å; Y73-Y93 HydrophobicContact CE2-CE1 4.26Å; I88-Y93 HydrophobicContact CG2-CD2 3.79Å; I88-Y93 HydrophobicContact CG2-CE1 4.3Å; I88-Y93 HydrophobicContact CG2-CE2 3.42Å; I88-Y93 VanDerWaalsContact CG2-CE2 3.42Å; I88-Y93 HydrophobicContact CG2-CG 4.38Å; P89-Y93 WeakPolarHBondContact CG-OH 3.2Å; P89-Y93 VanDerWaalsContact O-CE2 3.29Å; P89-Y93 WeakPolarHBondContact O-CE2 3.4Å; P89-Y93 PolarHBondContact O-OH 3.41Å; P89-Y93 VanDerWaalsContact O-OH 3.12Å; Y93-R108 CarbonylContact O-C 3.58Å; Y93-R108 WeakPolarHBondContact O-CA 3.41Å; Y93-V109 PolarHBondContact N-O 3.44Å; Y93-V109 PolarHBondContact O-N 3.32Å; Y93-I111 HydrophobicContact CD2-CD1 4Å; Y93-I111 HydrophobicContact CD2-CG1 4.27Å; Y93-I111 HydrophobicContact CE2-CD1 3.99Å; Y93-I111 HydrophobicContact CE2-CG1 4.37Å |
| 94 | V | 95.6 | Very high | 94.9 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 122.6 | 166.7 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | V68 E69 E96 P106 V122 | V68-V94 WeakPolarHBondContact CA-O 3.2Å; E69-V94 PolarHBondContact N-O 2.87Å; E69-V94 PolarHBondContact OE2-N 2.84Å; V94-E96 HydrophobicContact CG1-CG 4.06Å; V94-P106 HydrophobicContact CG1-CB 4.07Å; V94-V122 HydrophobicContact CG1-CG2 3.99Å |
| 95 | L | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.5 | 177.4 | -175 | 151.1 | 0 | 0 | 0 | 109.8 | I46 V66 L67 V68 F83 V97 P106 V107 V109 L137 I139 | I46-L95 HydrophobicContact CD1-CD1 4.46Å; I46-L95 HydrophobicContact CG2-CD1 3.65Å; V66-L95 HydrophobicContact CG1-CD1 3.92Å; V66-L95 HydrophobicContact CG1-CD2 3.83Å; V66-L95 HydrophobicContact CG1-CG 3.79Å; L67-L95 WeakPolarHBondContact O-CA 3.2Å; V68-L95 HydrophobicContact CG2-CD1 4.1Å; V68-L95 HydrophobicContact CG2-CG 4.26Å; F83-L95 HydrophobicContact CE2-CD1 3.77Å; F83-L95 HydrophobicContact CE2-CD2 4.21Å; F83-L95 HydrophobicContact CZ-CD1 4.26Å; F83-L95 HydrophobicContact CZ-CD2 3.97Å; L95-V97 HydrophobicContact CD2-CG2 4.34Å; L95-P106 WeakPolarHBondContact O-CA 3.39Å; L95-V107 PolarHBondContact N-O 3.4Å; L95-V107 PolarHBondContact O-N 3.19Å; L95-V109 HydrophobicContact CB-CG2 4.31Å; L95-L137 HydrophobicContact CD1-CD1 4.04Å; L95-L137 HydrophobicContact CD2-CD1 4.39Å; L95-I139 HydrophobicContact CD2-CD1 3.44Å; L95-I139 VanDerWaalsContact CD2-CD1 3.44Å |
| 96 | E | 95.4 | Very high | 94.8 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 138.6 | -178.8 | -48.5 | -161.6 | 152.4 | 0 | 0 | 110.3 | V66 L67 V94 V98 P106 | V66-E96 WeakPolarHBondContact CA-O 3.48Å; L67-E96 PolarHBondContact N-O 3.41Å; L67-E96 PolarHBondContact O-N 3.48Å; V94-E96 HydrophobicContact CG1-CG 4.06Å; E96-V98 HydrophobicContact CB-CG2 4.48Å; E96-P106 HydrophobicContact CG-CB 3.78Å; E96-P106 WeakPolarHBondContact OE1-CB 3.29Å |
| 97 | V | 96.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 5% | 0.048 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 110.3 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | A50 R65 V66 L77 L95 F104 I139 | A50-V97 HydrophobicContact CB-CG1 4.25Å; A50-V97 HydrophobicContact CB-CG2 4.36Å; R65-V97 CarbonylContact O-C 3.43Å; V66-V97 HydrophobicContact CG2-CG2 4.34Å; L77-V97 HydrophobicContact CD1-CG1 4.42Å; L77-V97 HydrophobicContact CD2-CG1 4.38Å; L95-V97 HydrophobicContact CD2-CG2 4.34Å; V97-F104 HydrophobicContact CB-CB 4.07Å; V97-F104 HydrophobicContact CB-CD1 4.49Å; V97-F104 HydrophobicContact CB-CD2 3.88Å; V97-F104 HydrophobicContact CB-CE2 4.44Å; V97-F104 HydrophobicContact CB-CG 3.9Å; V97-F104 HydrophobicContact CG1-CD2 3.77Å; V97-F104 HydrophobicContact CG1-CE2 3.85Å; V97-F104 HydrophobicContact CG1-CG 4.21Å; V97-F104 HydrophobicContact CG1-CZ 4.36Å; V97-F104 WeakPolarHBondContact O-CD2 3.26Å; V97-I139 HydrophobicContact CG2-CD1 3.76Å |
| 98 | V | 95.7 | Very high | 94.9 | Very high | 67 Ų | 67 | 46 Ų | 46 | 41% | 0.406 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.6 | -176.2 | -179 | 0 | 0 | 0 | 0 | 109.5 | A64 R65 L67 E96 | A64-V98 CarbonylContact C-O 3.59Å; A64-V98 VanDerWaalsContact CA-O 3.28Å; A64-V98 WeakPolarHBondContact CA-O 3.25Å; R65-V98 PolarHBondContact N-O 3.25Å; R65-V98 PolarHBondContact O-N 3.31Å; L67-V98 HydrophobicContact CD1-CB 4.22Å; L67-V98 HydrophobicContact CD1-CG2 3.5Å; L67-V98 HydrophobicContact CG-CG2 3.98Å; E96-V98 HydrophobicContact CB-CG2 4.48Å |
| 99 | T | 95.5 | Very high | 95 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | trans | -146.8 | 148.1 | 171.2 | 170.3 | 0 | 0 | 0 | 0 | 108.7 | T63 T101 Y102 F104 H145 | T63-T99 PolarHBondContact OG1-OG1 3.29Å; T99-T101 VanDerWaalsContact C-N 3.27Å; T99-T101 PolarHBondContact O-N 3.19Å; T99-T101 PolarHBondContact OG1-N 2.7Å; T99-Y102 WeakPolarHBondContact CG2-O 3.36Å; T99-F104 HydrophobicContact CG2-CD2 4.01Å; T99-F104 HydrophobicContact CG2-CE2 3.65Å; T99-H145 PolarHBondContact O-CE1 2.89Å; T99-H145 PolarHBondContact O-ND1 3.36Å | ||
| 100 | P | 94.1 | Very high | 95 | Very high | 69 Ų | 69 | 44.9 Ų | 44.9 | 45% | 0.448 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -66.3 | -26.8 | 176.5 | 26.4 | -36.1 | 0 | 0 | 0 | 113.1 | H145 Y147 | P100-H145 PolarHBondContact O-ND1 3.34Å; P100-Y147 WeakPolarHBondContact O-CE2 3.23Å; P100-Y147 PolarHBondContact O-OH 3.08Å |
| 101 | T | 93.5 | Very high | 95 | Very high | 68 Ų | 68 | 42.7 Ų | 42.7 | 42% | 0.417 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -94.7 | -38.3 | -169.7 | -50.1 | 0 | 0 | 0 | 0 | 113 | T99 P144 H145 | T99-T101 VanDerWaalsContact C-N 3.27Å; T99-T101 PolarHBondContact O-N 3.19Å; T99-T101 PolarHBondContact OG1-N 2.7Å; T101-P144 CarbonylContact O-C 3.58Å; T101-P144 VanDerWaalsContact O-CA 3.25Å; T101-P144 WeakPolarHBondContact O-CA 3.4Å; T101-H145 PolarHBondContact O-N 2.84Å |
| 102 | Y | 95.3 | Very high | 95 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 17% | 0.169 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143.2 | -171.8 | -56.7 | -75.9 | 0 | 0 | 0 | 113 | V52 V55 W60 T99 G143 H145 | V52-Y102 HydrophobicContact CG1-CD1 3.74Å; V52-Y102 HydrophobicContact CG1-CD2 4.36Å; V52-Y102 HydrophobicContact CG1-CE1 3.68Å; V52-Y102 HydrophobicContact CG1-CE2 4.31Å; V52-Y102 HydrophobicContact CG1-CG 4.1Å; V52-Y102 HydrophobicContact CG2-CD2 3.99Å; V52-Y102 HydrophobicContact CG2-CE2 4.45Å; V52-Y102 HydrophobicContact CG2-CG 4.03Å; V55-Y102 HydrophobicContact CG2-CE1 4.36Å; W60-Y102 HydrophobicContact CB-CD2 4.08Å; W60-Y102 HydrophobicContact CB-CE2 3.76Å; W60-Y102 HydrophobicContact CG-CD2 4.26Å; W60-Y102 HydrophobicContact CG-CE2 4.08Å; T99-Y102 WeakPolarHBondContact CG2-O 3.36Å; Y102-G143 CarbonylContact C-O 3.57Å; Y102-G143 WeakPolarHBondContact CA-O 3.36Å; Y102-H145 VanDerWaalsContact C-ND1 3.32Å; Y102-H145 PolarHBondContact O-CE1 2.92Å; Y102-H145 PolarHBondContact O-ND1 2.89Å |
| 103 | R | 95.1 | Very high | 95 | Very high | 154 Ų | 154 | 45 Ų | 45 | 58% | 0.581 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.9 | 175.6 | -172.4 | 178.3 | 177.6 | 128.5 | -0 | 110 | A141 S142 G143 | R103-A141 CarbonylContact O-C 3.51Å; R103-A141 VanDerWaalsContact O-CA 3.26Å; R103-A141 WeakPolarHBondContact O-CA 3.14Å; R103-S142 PolarHBondContact O-N 3.09Å; R103-S142 PolarHBondContact O-OG 3.38Å; R103-G143 PolarHBondContact N-O 3.42Å |
| 104 | F | 95.4 | Very high | 94.7 | Very high | 17 Ų | 17 | 52.9 Ų | 52.9 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 150.1 | 170.4 | -68.3 | -87.3 | 0 | 0 | 0 | 110.1 | A50 V52 W60 V97 T99 I139 A141 | A50-F104 HydrophobicContact CB-CE1 4.04Å; A50-F104 HydrophobicContact CB-CZ 4.25Å; V52-F104 HydrophobicContact CG2-CE1 4.4Å; V52-F104 HydrophobicContact CG2-CZ 3.72Å; W60-F104 AromaticContact CH2-CZ 3.83Å; W60-F104 HydrophobicContact CH2-CZ 3.83Å; W60-F104 HydrophobicContact CZ2-CZ 4.44Å; W60-F104 HydrophobicContact CZ3-CE2 4.09Å; W60-F104 AromaticContact CZ3-CZ 3.86Å; W60-F104 HydrophobicContact CZ3-CZ 3.86Å; V97-F104 HydrophobicContact CB-CB 4.07Å; V97-F104 HydrophobicContact CB-CD1 4.49Å; V97-F104 HydrophobicContact CB-CD2 3.88Å; V97-F104 HydrophobicContact CB-CE2 4.44Å; V97-F104 HydrophobicContact CB-CG 3.9Å; V97-F104 HydrophobicContact CG1-CD2 3.77Å; V97-F104 HydrophobicContact CG1-CE2 3.85Å; V97-F104 HydrophobicContact CG1-CG 4.21Å; V97-F104 HydrophobicContact CG1-CZ 4.36Å; V97-F104 WeakPolarHBondContact O-CD2 3.26Å; T99-F104 HydrophobicContact CG2-CD2 4.01Å; T99-F104 HydrophobicContact CG2-CE2 3.65Å; F104-I139 HydrophobicContact CB-CG2 4.08Å; F104-I139 HydrophobicContact CD1-CB 4.49Å; F104-I139 HydrophobicContact CD1-CG2 3.83Å; F104-I139 HydrophobicContact CG-CG2 4.37Å; F104-A141 HydrophobicContact CD1-CB 4Å; F104-A141 HydrophobicContact CE1-CB 3.69Å; F104-A141 HydrophobicContact CE2-CB 4.5Å; F104-A141 HydrophobicContact CZ-CB 3.97Å |
| 105 | E | 93.5 | Very high | 94.4 | Very high | 105 Ų | 105 | 53 Ų | 53 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | trans | -82.9 | 135.1 | 172.3 | -68.3 | -174 | 172.5 | 0 | 0 | 110.2 | ||||
| 106 | P | 94.9 | Very high | 94.2 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 25% | 0.253 | 30% | 0.303 | S | S | . | . | trans | -70 | 144.9 | 178.3 | 32.6 | -37.1 | 0 | 0 | 0 | 110.1 | V94 L95 E96 V122 | V94-P106 HydrophobicContact CG1-CB 4.07Å; L95-P106 WeakPolarHBondContact O-CA 3.39Å; E96-P106 HydrophobicContact CG-CB 3.78Å; E96-P106 WeakPolarHBondContact OE1-CB 3.29Å; P106-V122 HydrophobicContact CB-CG2 4.02Å; P106-V122 HydrophobicContact CG-CB 4.2Å; P106-V122 HydrophobicContact CG-CG2 4.2Å; P106-V122 VanDerWaalsContact O-CG2 3.28Å; P106-V122 WeakPolarHBondContact O-CG2 3.32Å | ||
| 107 | V | 95.1 | Very high | 94.1 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.2 | -177.8 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | L95 A119 R120 L137 I139 | L95-V107 PolarHBondContact N-O 3.4Å; L95-V107 PolarHBondContact O-N 3.19Å; V107-A119 HydrophobicContact CG1-CB 4.22Å; V107-R120 WeakPolarHBondContact CG1-O 3.43Å; V107-L137 HydrophobicContact CG1-CD2 3.88Å; V107-I139 HydrophobicContact CG2-CD1 4.28Å; V107-I139 HydrophobicContact CG2-CG1 4.18Å |
| 108 | R | 95.1 | Very high | 94 | Very high | 66 Ų | 66 | 62.9 Ų | 62.9 | 25% | 0.249 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.6 | 174.3 | -178.7 | 172.7 | 177.3 | 175.6 | 7.3 | 109.5 | S92 Y93 D110 A119 R120 V122 | S92-R108 PolarHBondContact OG-NH2 3.36Å; Y93-R108 CarbonylContact O-C 3.58Å; Y93-R108 WeakPolarHBondContact O-CA 3.41Å; R108-D110 IonicContact CZ-OD1 3.93Å; R108-D110 IonicContact NE-OD1 3.21Å; R108-D110 PolarHBondContact NE-OD1 2.81Å; R108-D110 IonicContact NH2-OD1 3.97Å; R108-A119 CarbonylContact O-C 3.57Å; R108-A119 WeakPolarHBondContact O-CA 3.03Å; R108-R120 HydrophobicContact CB-CG 3.89Å; R108-R120 HydrophobicContact CG-CG 4.23Å; R108-R120 PolarHBondContact N-O 2.82Å; R108-R120 PolarHBondContact O-N 3Å; R108-V122 HydrophobicContact CB-CG2 3.9Å; R108-V122 VanDerWaalsContact N-CG2 3.34Å |
| 109 | V | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.6 | 178.4 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | I46 Y93 L95 I111 R118 L137 | I46-V109 HydrophobicContact CD1-CB 4.21Å; I46-V109 HydrophobicContact CD1-CG1 4.08Å; I46-V109 HydrophobicContact CG1-CG1 4.34Å; I46-V109 HydrophobicContact CG2-CG2 4.46Å; Y93-V109 PolarHBondContact N-O 3.44Å; Y93-V109 PolarHBondContact O-N 3.32Å; L95-V109 HydrophobicContact CB-CG2 4.31Å; V109-I111 HydrophobicContact CG1-CG1 4.3Å; V109-R118 WeakPolarHBondContact CA-O 3.35Å; V109-L137 HydrophobicContact CG2-CD1 3.8Å; V109-L137 HydrophobicContact CG2-CD2 4.32Å |
| 110 | D | 94.7 | Very high | 93.8 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.2 | 174.3 | -48.9 | -49.3 | 0 | 0 | 0 | 109.5 | S92 R108 R118 R120 | S92-D110 WeakPolarHBondContact CB-OD1 3.16Å; S92-D110 PolarHBondContact OG-OD1 2.87Å; R108-D110 IonicContact CZ-OD1 3.93Å; R108-D110 IonicContact NE-OD1 3.21Å; R108-D110 PolarHBondContact NE-OD1 2.81Å; R108-D110 IonicContact NH2-OD1 3.97Å; D110-R118 PolarHBondContact N-O 2.87Å; D110-R118 PolarHBondContact O-N 2.85Å; D110-R120 IonicContact OD1-CZ 3.66Å; D110-R120 IonicContact OD1-NE 3.57Å; D110-R120 IonicContact OD1-NH2 2.87Å; D110-R120 PolarHBondContact OD1-NH2 2.93Å; D110-R120 IonicContact OD2-CZ 3.1Å; D110-R120 IonicContact OD2-NE 2.8Å; D110-R120 PolarHBondContact OD2-NE 2.8Å; D110-R120 IonicContact OD2-NH2 2.82Å; D110-R120 PolarHBondContact OD2-NH2 3.21Å |
| 111 | I | 95.4 | Very high | 93.7 | Very high | 10 Ų | 10 | 61 Ų | 61 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.5 | -178.3 | -45.8 | -172.7 | 0 | 0 | 0 | 108.1 | F44 I46 I88 G91 Y93 V109 M117 | F44-I111 HydrophobicContact CB-CG2 4.09Å; F44-I111 HydrophobicContact CD2-CG2 3.54Å; F44-I111 HydrophobicContact CE2-CG2 4.13Å; F44-I111 HydrophobicContact CG-CG2 3.79Å; I46-I111 HydrophobicContact CD1-CD1 4.04Å; I46-I111 HydrophobicContact CG1-CD1 3.95Å; I88-I111 HydrophobicContact CB-CD1 4.35Å; I88-I111 HydrophobicContact CG2-CD1 3.68Å; G91-I111 PolarHBondContact N-O 3.44Å; G91-I111 PolarHBondContact O-N 2.85Å; Y93-I111 HydrophobicContact CD2-CD1 4Å; Y93-I111 HydrophobicContact CD2-CG1 4.27Å; Y93-I111 HydrophobicContact CE2-CD1 3.99Å; Y93-I111 HydrophobicContact CE2-CG1 4.37Å; V109-I111 HydrophobicContact CG1-CG1 4.3Å; I111-M117 HydrophobicContact CB-CE 4.38Å; I111-M117 HydrophobicContact CB-SD 3.83Å; I111-M117 HydrophobicContact CD1-CE 3.94Å; I111-M117 HydrophobicContact CD1-SD 3.92Å; I111-M117 HydrophobicContact CG1-CE 4.09Å; I111-M117 HydrophobicContact CG1-SD 3.45Å; I111-M117 WeakPolarHBondContact CG1-SD 3.44Å; I111-M117 HydrophobicContact CG2-CE 3.63Å; I111-M117 HydrophobicContact CG2-SD 3.61Å |
| 112 | T | 94.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | trans | -77.5 | 154.4 | 173.1 | -47.6 | 0 | 0 | 0 | 0 | 109.8 | K114 G115 K116 | T112-K114 HydrophobicContact CG2-CB 4.42Å; T112-K114 PolarHBondContact O-N 2.65Å; T112-G115 WeakPolarHBondContact O-CA 3.34Å; T112-G115 PolarHBondContact O-N 3.06Å; T112-K116 PolarHBondContact N-O 3.02Å; T112-K116 PolarHBondContact OG1-O 2.76Å | ||
| 113 | S | 92.1 | Very high | 93.4 | Very high | 72 Ų | 72 | 59.3 Ų | 59.3 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -21.9 | 171.2 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | F44 G115 | F44-S113 WeakPolarHBondContact CZ-O 3.25Å; S113-G115 VanDerWaalsContact C-N 3.28Å; S113-G115 PolarHBondContact O-N 2.9Å |
| 114 | K | 90.5 | Very high | 93.1 | Very high | 190 Ų | 190 | 59.7 Ų | 59.7 | 83% | 0.826 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2 | 173 | -59.5 | -172.7 | 178.3 | -174.8 | 0 | 114.1 | T112 K116 | T112-K114 HydrophobicContact CG2-CB 4.42Å; T112-K114 PolarHBondContact O-N 2.65Å; K114-K116 VanDerWaalsContact C-N 3.33Å; K114-K116 PolarHBondContact O-N 2.98Å |
| 115 | G | 88.1 | Confident | 92.8 | Very high | 25 Ų | 25 | 66.2 Ų | 66.2 | 26% | 0.258 | 32% | 0.323 | S | S | . | . | trans | 78.3 | 8.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T112 S113 M117 | T112-G115 WeakPolarHBondContact O-CA 3.34Å; T112-G115 PolarHBondContact O-N 3.06Å; S113-G115 VanDerWaalsContact C-N 3.28Å; S113-G115 PolarHBondContact O-N 2.9Å; G115-M117 PolarHBondContact O-N 3.01Å | ||
| 116 | K | 92.4 | Very high | 92.6 | Very high | 141 Ų | 141 | 67.3 Ų | 67.3 | 61% | 0.613 | 33% | 0.326 | S | S | * | . | trans | -72.4 | 118.5 | 174.4 | -174.2 | 175.5 | -176.6 | 173 | 0 | 110 | T112 K114 | T112-K116 PolarHBondContact N-O 3.02Å; T112-K116 PolarHBondContact OG1-O 2.76Å; K114-K116 VanDerWaalsContact C-N 3.33Å; K114-K116 PolarHBondContact O-N 2.98Å | ||
| 117 | M | 93.4 | Very high | 92.1 | Very high | 33 Ų | 33 | 69.8 Ų | 69.8 | 16% | 0.163 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 139.2 | 179.8 | -57.9 | -60.4 | -177 | 0 | 0 | 111.6 | F44 I111 G115 Y135 | F44-M117 HydrophobicContact CB-CE 3.55Å; F44-M117 HydrophobicContact CG-CE 4.19Å; I111-M117 HydrophobicContact CB-CE 4.38Å; I111-M117 HydrophobicContact CB-SD 3.83Å; I111-M117 HydrophobicContact CD1-CE 3.94Å; I111-M117 HydrophobicContact CD1-SD 3.92Å; I111-M117 HydrophobicContact CG1-CE 4.09Å; I111-M117 HydrophobicContact CG1-SD 3.45Å; I111-M117 WeakPolarHBondContact CG1-SD 3.44Å; I111-M117 HydrophobicContact CG2-CE 3.63Å; I111-M117 HydrophobicContact CG2-SD 3.61Å; G115-M117 PolarHBondContact O-N 3.01Å; M117-Y135 HydrophobicContact CB-CD1 4.13Å; M117-Y135 HydrophobicContact CB-CD2 4.1Å; M117-Y135 HydrophobicContact CB-CE1 3.95Å; M117-Y135 HydrophobicContact CB-CE2 3.91Å; M117-Y135 HydrophobicContact CB-CG 4.2Å; M117-Y135 HydrophobicContact CG-CE1 4.02Å; M117-Y135 HydrophobicContact CG-CE2 4.27Å |
| 118 | R | 93.8 | Very high | 91.6 | Very high | 117 Ų | 117 | 74.2 Ų | 74.2 | 44% | 0.442 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 130.7 | 171.2 | -62.7 | 176.9 | 67.6 | 173.8 | -2.8 | 109.1 | V109 D110 | V109-R118 WeakPolarHBondContact CA-O 3.35Å; D110-R118 PolarHBondContact N-O 2.87Å; D110-R118 PolarHBondContact O-N 2.85Å |
| 119 | A | 94.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 75.1 Ų | 75.1 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 143.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | V107 R108 Q133 L137 | V107-A119 HydrophobicContact CG1-CB 4.22Å; R108-A119 CarbonylContact O-C 3.57Å; R108-A119 WeakPolarHBondContact O-CA 3.03Å; A119-Q133 HydrophobicContact CB-CB 3.85Å; A119-Q133 PolarHBondContact O-N 2.86Å; A119-L137 HydrophobicContact CB-CD2 3.24Å |
| 120 | R | 93.8 | Very high | 90.9 | Very high | 36 Ų | 36 | 78.6 Ų | 78.6 | 14% | 0.136 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 155.5 | 175.8 | 57.9 | -176 | 158.9 | 162.3 | -8 | 111.6 | V107 R108 D110 I131 | V107-R120 WeakPolarHBondContact CG1-O 3.43Å; R108-R120 HydrophobicContact CB-CG 3.89Å; R108-R120 HydrophobicContact CG-CG 4.23Å; R108-R120 PolarHBondContact N-O 2.82Å; R108-R120 PolarHBondContact O-N 3Å; D110-R120 IonicContact OD1-CZ 3.66Å; D110-R120 IonicContact OD1-NE 3.57Å; D110-R120 IonicContact OD1-NH2 2.87Å; D110-R120 PolarHBondContact OD1-NH2 2.93Å; D110-R120 IonicContact OD2-CZ 3.1Å; D110-R120 IonicContact OD2-NE 2.8Å; D110-R120 PolarHBondContact OD2-NE 2.8Å; D110-R120 IonicContact OD2-NH2 2.82Å; D110-R120 PolarHBondContact OD2-NH2 3.21Å; R120-I131 WeakPolarHBondContact CA-O 3.25Å; R120-I131 WeakPolarHBondContact CB-O 2.94Å |
| 121 | L | 91.9 | Very high | 90.7 | Very high | 57 Ų | 57 | 81.2 Ų | 81.2 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 143.6 | 173 | -160.2 | 117.4 | 0 | 0 | 0 | 110.2 | N123 I131 | L121-N123 PolarHBondContact O-N 2.87Å; L121-I131 HydrophobicContact CB-CB 4.15Å; L121-I131 HydrophobicContact CB-CG2 4.48Å; L121-I131 PolarHBondContact N-O 3.13Å; L121-I131 VanDerWaalsContact N-O 3.12Å |
| 122 | V | 92.2 | Very high | 90.5 | Very high | 22 Ų | 22 | 89.8 Ų | 89.8 | 13% | 0.133 | 45% | 0.445 | C | S | . | . | trans | -79.7 | 119.9 | 179.4 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | V94 P106 R108 Y124 | V94-V122 HydrophobicContact CG1-CG2 3.99Å; P106-V122 HydrophobicContact CB-CG2 4.02Å; P106-V122 HydrophobicContact CG-CB 4.2Å; P106-V122 HydrophobicContact CG-CG2 4.2Å; P106-V122 VanDerWaalsContact O-CG2 3.28Å; P106-V122 WeakPolarHBondContact O-CG2 3.32Å; R108-V122 HydrophobicContact CB-CG2 3.9Å; R108-V122 VanDerWaalsContact N-CG2 3.34Å; V122-Y124 HydrophobicContact CG1-CD1 4.29Å; V122-Y124 HydrophobicContact CG1-CD2 3.99Å; V122-Y124 HydrophobicContact CG1-CE1 3.81Å; V122-Y124 HydrophobicContact CG1-CE2 3.48Å; V122-Y124 VanDerWaalsContact CG1-CE2 3.48Å; V122-Y124 HydrophobicContact CG1-CG 4.37Å | ||
| 123 | N | 90.6 | Very high | 90.4 | Very high | 54 Ų | 54 | 90.1 Ų | 90.1 | 29% | 0.289 | 44% | 0.443 | S | S | . | . | trans | -127.5 | 113.7 | 166.8 | -171.6 | -15.9 | 0 | 0 | 0 | 108.9 | L121 I125 K126 E129 | L121-N123 PolarHBondContact O-N 2.87Å; N123-I125 PolarHBondContact OD1-N 3.21Å; N123-K126 PolarHBondContact OD1-N 3.45Å; N123-E129 PolarHBondContact ND2-OE2 2.82Å | ||
| 124 | Y | 87.9 | Confident | 90.4 | Very high | 162 Ų | 162 | 90.3 Ų | 90.3 | 64% | 0.635 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -78.9 | -23.5 | -178.7 | -64.3 | -73.7 | 0 | 0 | 0 | 113.2 | V122 | V122-Y124 HydrophobicContact CG1-CD1 4.29Å; V122-Y124 HydrophobicContact CG1-CD2 3.99Å; V122-Y124 HydrophobicContact CG1-CE1 3.81Å; V122-Y124 HydrophobicContact CG1-CE2 3.48Å; V122-Y124 VanDerWaalsContact CG1-CE2 3.48Å; V122-Y124 HydrophobicContact CG1-CG 4.37Å |
| 125 | I | 90.1 | Very high | 90.4 | Very high | 154 Ų | 154 | 85 Ų | 85 | 79% | 0.79 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -84.9 | -49.9 | -177.4 | -57.7 | 175.9 | 0 | 0 | 0 | 110 | N123 | N123-I125 PolarHBondContact OD1-N 3.21Š|
| 126 | K | 89.7 | Confident | 90.4 | Very high | 128 Ų | 128 | 87.5 Ų | 87.5 | 56% | 0.557 | 43% | 0.429 | S | S | * | . | trans | -110.7 | 82.7 | -178.9 | -62.7 | -178.6 | -177.5 | 176.1 | 0 | 110.2 | N123 S128 E129 | N123-K126 PolarHBondContact OD1-N 3.45Å; K126-S128 PolarHBondContact O-N 3.41Å; K126-E129 HydrophobicContact CB-CB 4.08Å; K126-E129 WeakPolarHBondContact O-CB 3.28Å; K126-E129 PolarHBondContact O-N 3.43Å; K126-E129 VanDerWaalsContact O-N 3.1Å | ||
| 127 | T | 84.4 | Confident | 90.5 | Very high | 91 Ų | 91 | 80.9 Ų | 80.9 | 56% | 0.558 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.9 | -178.4 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 128 | S | 83.5 | Confident | 90.5 | Very high | 107 Ų | 107 | 84.1 Ų | 84.1 | 75% | 0.748 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -14.1 | 175.4 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | K126 V130 | K126-S128 PolarHBondContact O-N 3.41Å; S128-V130 PolarHBondContact O-N 3.01Å |
| 129 | E | 88.1 | Confident | 90.5 | Very high | 84 Ų | 84 | 78.9 Ų | 78.9 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | trans | -72 | 125.5 | 176.1 | -170.9 | 175.8 | 179.9 | 0 | 0 | 109.5 | N123 K126 I131 | N123-E129 PolarHBondContact ND2-OE2 2.82Å; K126-E129 HydrophobicContact CB-CB 4.08Å; K126-E129 WeakPolarHBondContact O-CB 3.28Å; K126-E129 PolarHBondContact O-N 3.43Å; K126-E129 VanDerWaalsContact O-N 3.1Å; E129-I131 HydrophobicContact CG-CG1 4.38Å | ||
| 130 | V | 86.9 | Confident | 90.5 | Very high | 74 Ų | 74 | 86.4 Ų | 86.4 | 45% | 0.448 | 42% | 0.423 | S | S | . | . | trans | -121.3 | 89.9 | -176.2 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | S128 R132 | S128-V130 PolarHBondContact O-N 3.01Å; V130-R132 HydrophobicContact CG1-CG 4Å; V130-R132 PolarHBondContact O-N 2.82Å | ||
| 131 | I | 91.1 | Very high | 90.5 | Very high | 80 Ų | 80 | 85.3 Ų | 85.3 | 41% | 0.41 | 42% | 0.421 | S | S | . | . | trans | -88.2 | 101.2 | 166.7 | -56.3 | 175.8 | 0 | 0 | 0 | 107.2 | R120 L121 E129 Q133 | R120-I131 WeakPolarHBondContact CA-O 3.25Å; R120-I131 WeakPolarHBondContact CB-O 2.94Å; L121-I131 HydrophobicContact CB-CB 4.15Å; L121-I131 HydrophobicContact CB-CG2 4.48Å; L121-I131 PolarHBondContact N-O 3.13Å; L121-I131 VanDerWaalsContact N-O 3.12Å; E129-I131 HydrophobicContact CG-CG1 4.38Å; I131-Q133 PolarHBondContact O-N 2.73Å | ||
| 132 | R | 91.3 | Very high | 90.6 | Very high | 190 Ų | 190 | 86 Ų | 86 | 72% | 0.717 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 131.3 | -176.8 | -63.2 | -175.8 | -179.7 | -171.4 | 1.6 | 110.5 | V130 | V130-R132 HydrophobicContact CG1-CG 4Å; V130-R132 PolarHBondContact O-N 2.82Å |
| 133 | Q | 92 | Very high | 90.6 | Very high | 69 Ų | 69 | 86 Ų | 86 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145.8 | 169 | -73.9 | -69.6 | -31.4 | 0 | 0 | 109.3 | A119 I131 | A119-Q133 HydrophobicContact CB-CB 3.85Å; A119-Q133 PolarHBondContact O-N 2.86Å; I131-Q133 PolarHBondContact O-N 2.73Å |
| 134 | P | 92.2 | Very high | 90.8 | Very high | 75 Ų | 75 | 88.3 Ų | 88.3 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 151.8 | 174.6 | 28.9 | -33.8 | 0 | 0 | 0 | 110.6 | ||
| 135 | Y | 90.3 | Very high | 91 | Very high | 80 Ų | 80 | 83.5 Ų | 83.5 | 31% | 0.314 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -123.3 | 134.4 | 173.3 | -164.5 | -90.5 | 0 | 0 | 0 | 108.7 | E47 M117 L137 | E47-Y135 PolarHBondContact N-OH 3.35Å; M117-Y135 HydrophobicContact CB-CD1 4.13Å; M117-Y135 HydrophobicContact CB-CD2 4.1Å; M117-Y135 HydrophobicContact CB-CE1 3.95Å; M117-Y135 HydrophobicContact CB-CE2 3.91Å; M117-Y135 HydrophobicContact CB-CG 4.2Å; M117-Y135 HydrophobicContact CG-CE1 4.02Å; M117-Y135 HydrophobicContact CG-CE2 4.27Å; Y135-L137 HydrophobicContact CD2-CD2 4.2Å; Y135-L137 HydrophobicContact CD2-CG 4.12Å; Y135-L137 HydrophobicContact CE2-CG 4.14Å |
| 136 | P | 89.3 | Confident | 91 | Very high | 77 Ų | 77 | 81.4 Ų | 81.4 | 50% | 0.5 | 44% | 0.436 | S | S | . | . | S | Bend | cis | -60.7 | 151.7 | 2.4 | -22.6 | 34.1 | 0 | 0 | 0 | 114.1 | Q138 | P136-Q138 PolarHBondContact O-N 2.92Š|
| 137 | L | 93.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 82.2 Ų | 82.2 | 1% | 0.01 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 135 | -171.7 | -63 | 172.1 | 0 | 0 | 0 | 111.3 | I46 E47 G48 R49 F83 L95 V107 V109 A119 Y135 I139 | I46-L137 HydrophobicContact CG2-CD1 3.89Å; E47-L137 PolarHBondContact O-N 2.91Å; G48-L137 CarbonylContact C-O 3.55Å; G48-L137 WeakPolarHBondContact CA-O 3.39Å; R49-L137 PolarHBondContact N-O 3.3Å; F83-L137 HydrophobicContact CE2-CD1 4.45Å; F83-L137 HydrophobicContact CZ-CB 4.31Å; F83-L137 HydrophobicContact CZ-CD1 4.08Å; L95-L137 HydrophobicContact CD1-CD1 4.04Å; L95-L137 HydrophobicContact CD2-CD1 4.39Å; V107-L137 HydrophobicContact CG1-CD2 3.88Å; V109-L137 HydrophobicContact CG2-CD1 3.8Å; V109-L137 HydrophobicContact CG2-CD2 4.32Å; A119-L137 HydrophobicContact CB-CD2 3.24Å; Y135-L137 HydrophobicContact CD2-CD2 4.2Å; Y135-L137 HydrophobicContact CD2-CG 4.12Å; Y135-L137 HydrophobicContact CE2-CG 4.14Å; L137-I139 HydrophobicContact CB-CG1 4.22Å |
| 138 | Q | 93.6 | Very high | 91.6 | Very high | 101 Ų | 101 | 86.3 Ų | 86.3 | 47% | 0.472 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 92.8 | 169.9 | -66.8 | -172 | 11 | 0 | 0 | 109.2 | R49 P136 | R49-Q138 WeakPolarHBondContact O-CA 3.46Å; P136-Q138 PolarHBondContact O-N 2.92Å |
| 139 | I | 93.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 89.9 Ų | 89.9 | 4% | 0.036 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 114.9 | -174.9 | -47.7 | 179.1 | 0 | 0 | 0 | 107.7 | R49 A50 I51 F83 L95 V97 F104 V107 L137 | R49-I139 PolarHBondContact O-N 3.08Å; A50-I139 CarbonylContact C-O 3.6Å; A50-I139 WeakPolarHBondContact CA-O 3.44Å; I51-I139 PolarHBondContact N-O 3.34Å; F83-I139 HydrophobicContact CE1-CD1 4.06Å; F83-I139 HydrophobicContact CZ-CD1 3.88Å; L95-I139 HydrophobicContact CD2-CD1 3.44Å; L95-I139 VanDerWaalsContact CD2-CD1 3.44Å; V97-I139 HydrophobicContact CG2-CD1 3.76Å; F104-I139 HydrophobicContact CB-CG2 4.08Å; F104-I139 HydrophobicContact CD1-CB 4.49Å; F104-I139 HydrophobicContact CD1-CG2 3.83Å; F104-I139 HydrophobicContact CG-CG2 4.37Å; V107-I139 HydrophobicContact CG2-CD1 4.28Å; V107-I139 HydrophobicContact CG2-CG1 4.18Å; L137-I139 HydrophobicContact CB-CG1 4.22Å |
| 140 | R | 93.9 | Very high | 92 | Very high | 165 Ų | 165 | 95.5 Ų | 95.5 | 62% | 0.623 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 138.5 | 178.2 | -63 | -172.6 | -177.9 | -169.8 | 1.2 | 109.7 | I51 | I51-R140 WeakPolarHBondContact O-CA 3.38Å |
| 141 | A | 95.1 | Very high | 92.2 | Very high | 13 Ų | 13 | 102.9 Ų | 102.9 | 11% | 0.107 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 137.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | I51 V52 R103 F104 | I51-A141 PolarHBondContact O-N 2.92Å; V52-A141 HydrophobicContact CB-CB 4.43Å; V52-A141 HydrophobicContact CG1-CB 4.38Å; V52-A141 HydrophobicContact CG2-CB 3.99Å; R103-A141 CarbonylContact O-C 3.51Å; R103-A141 VanDerWaalsContact O-CA 3.26Å; R103-A141 WeakPolarHBondContact O-CA 3.14Å; F104-A141 HydrophobicContact CD1-CB 4Å; F104-A141 HydrophobicContact CE1-CB 3.69Å; F104-A141 HydrophobicContact CE2-CB 4.5Å; F104-A141 HydrophobicContact CZ-CB 3.97Å |
| 142 | S | 92.9 | Very high | 92 | Very high | 71 Ų | 71 | 108.4 Ų | 108.4 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -23.3 | 173.9 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | R103 | R103-S142 PolarHBondContact O-N 3.09Å; R103-S142 PolarHBondContact O-OG 3.38Å |
| 143 | G | 92.9 | Very high | 91.8 | Very high | 23 Ų | 23 | 104.7 Ų | 104.7 | 24% | 0.237 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.9 | -174.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y102 R103 | Y102-G143 CarbonylContact C-O 3.57Å; Y102-G143 WeakPolarHBondContact CA-O 3.36Å; R103-G143 PolarHBondContact N-O 3.42Å |
| 144 | P | 93.1 | Very high | 91.2 | Very high | 101 Ų | 101 | 109.3 Ų | 109.3 | 66% | 0.656 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 152.9 | 171.8 | 30.7 | -34 | 0 | 0 | 0 | 111.8 | T101 | T101-P144 CarbonylContact O-C 3.58Å; T101-P144 VanDerWaalsContact O-CA 3.25Å; T101-P144 WeakPolarHBondContact O-CA 3.4Å |
| 145 | H | 92.3 | Very high | 90.8 | Very high | 61 Ų | 61 | 106.5 Ų | 106.5 | 28% | 0.282 | 52% | 0.519 | S | S | . | . | trans | -69.8 | 130 | 173.5 | -77.6 | 106.1 | 0 | 0 | 0 | 111.7 | T99 P100 T101 Y102 Y147 | T99-H145 PolarHBondContact O-CE1 2.89Å; T99-H145 PolarHBondContact O-ND1 3.36Å; P100-H145 PolarHBondContact O-ND1 3.34Å; T101-H145 PolarHBondContact O-N 2.84Å; Y102-H145 VanDerWaalsContact C-ND1 3.32Å; Y102-H145 PolarHBondContact O-CE1 2.92Å; Y102-H145 PolarHBondContact O-ND1 2.89Å; H145-Y147 HydrophobicContact CB-CD1 4.46Å; H145-Y147 HydrophobicContact CB-CD2 3.9Å; H145-Y147 HydrophobicContact CB-CE1 3.96Å; H145-Y147 HydrophobicContact CB-CE2 3.35Å; H145-Y147 HydrophobicContact CB-CG 4.43Å; H145-Y147 AromaticContact CG-CZ 3.59Å; H145-Y147 PolarHBondContact ND1-OH 3.25Å | ||
| 146 | S | 91.6 | Very high | 90.5 | Very high | 111 Ų | 111 | 111.9 Ų | 111.9 | 78% | 0.776 | 54% | 0.539 | S | S | * | . | trans | -98.1 | 80.5 | 170.9 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | F148 | S146-F148 VanDerWaalsContact C-N 3.34Å; S146-F148 PolarHBondContact OG-O 3.41Å | ||
| 147 | Y | 92.8 | Very high | 90.4 | Very high | 145 Ų | 145 | 112.6 Ų | 112.6 | 57% | 0.569 | 54% | 0.541 | S | S | * | . | trans | -73.6 | -28 | 177.4 | -62.2 | -64 | 0 | 0 | 0 | 113.4 | P100 H145 | P100-Y147 WeakPolarHBondContact O-CE2 3.23Å; P100-Y147 PolarHBondContact O-OH 3.08Å; H145-Y147 HydrophobicContact CB-CD1 4.46Å; H145-Y147 HydrophobicContact CB-CD2 3.9Å; H145-Y147 HydrophobicContact CB-CE1 3.96Å; H145-Y147 HydrophobicContact CB-CE2 3.35Å; H145-Y147 HydrophobicContact CB-CG 4.43Å; H145-Y147 AromaticContact CG-CZ 3.59Å; H145-Y147 PolarHBondContact ND1-OH 3.25Å | ||
| 148 | F | 92.9 | Very high | 90 | Very high | 176 Ų | 176 | 117.5 Ų | 117.5 | 77% | 0.772 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -103.2 | 134.6 | -175.5 | -56.9 | -74 | 0 | 0 | 0 | 110.5 | S146 | S146-F148 VanDerWaalsContact C-N 3.34Å; S146-F148 PolarHBondContact OG-O 3.41Å |
| 149 | M | 90.9 | Very high | 89.7 | Confident | 183 Ų | 183 | 117 Ų | 117 | 90% | 0.901 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 133 | 165.2 | -64.2 | -177.8 | 69.4 | 0 | 0 | 108.8 | ||
| 150 | K | 89.9 | Confident | 89.3 | Confident | 201 Ų | 201 | 121.2 Ų | 121.2 | 87% | 0.874 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 136.6 | 171.1 | -65.9 | -177.1 | -179.4 | 178.6 | 0 | 108.3 | ||
| 151 | R | 90.7 | Very high | 89 | Confident | 230 Ų | 230 | 120.6 Ų | 120.6 | 87% | 0.868 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 139.4 | 172.8 | -66 | -175.8 | -179.2 | -173.7 | -0.1 | 108.8 | T153 | R151-T153 PolarHBondContact O-N 2.81Å; R151-T153 VanDerWaalsContact O-N 3.09Å |
| 152 | E | 86.8 | Confident | 88.8 | Confident | 195 Ų | 195 | 122.5 Ų | 122.5 | 91% | 0.911 | 60% | 0.601 | S | S | * | * | trans | -59.7 | 114.7 | 168.1 | -66.9 | 176.7 | -176.6 | 0 | 0 | 107.8 | ||||
| 153 | T | 86.6 | Confident | 88.6 | Confident | 113 Ų | 113 | 123.5 Ų | 123.5 | 69% | 0.693 | 61% | 0.606 | S | S | * | * | trans | -87.8 | 139.6 | 174.5 | 53.5 | 0 | 0 | 0 | 0 | 108 | R151 G155 | R151-T153 PolarHBondContact O-N 2.81Å; R151-T153 VanDerWaalsContact O-N 3.09Å; T153-G155 VanDerWaalsContact C-N 3.34Å; T153-G155 PolarHBondContact O-N 2.64Å | ||
| 154 | W | 80.4 | Confident | 88.5 | Confident | 165 Ų | 165 | 128.9 Ų | 128.9 | 63% | 0.625 | 63% | 0.626 | S | S | * | * | trans | -64.2 | 98.5 | 169.7 | -172.2 | 73.1 | 0 | 0 | 0 | 108.9 | W156 F159 | W154-W156 HydrophobicContact CH2-CD2 4.33Å; W154-W156 HydrophobicContact CH2-CE3 4.23Å; W154-W156 HydrophobicContact CH2-CH2 4.49Å; W154-W156 HydrophobicContact CH2-CZ3 4.32Å; W154-W156 HydrophobicContact CZ3-CD2 4.07Å; W154-W156 AromaticContact CZ3-CE2 3.89Å; W154-W156 HydrophobicContact CZ3-CE3 4.41Å; W154-W156 HydrophobicContact CZ3-CH2 4.45Å; W154-W156 HydrophobicContact CZ3-CZ2 4.11Å; W154-F159 HydrophobicContact CZ2-CB 3.83Å; W154-F159 AromaticContact CZ2-CD2 3.95Å; W154-F159 HydrophobicContact CZ2-CD2 3.95Å; W154-F159 AromaticContact CZ2-CG 3.93Å; W154-F159 HydrophobicContact CZ2-CG 3.93Å | ||
| 155 | G | 84.2 | Confident | 88.4 | Confident | 16 Ų | 16 | 125.2 Ų | 125.2 | 17% | 0.165 | 60% | 0.602 | C | S | . | * | trans | -80.5 | 134.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | T153 T157 D158 F159 | T153-G155 VanDerWaalsContact C-N 3.34Å; T153-G155 PolarHBondContact O-N 2.64Å; G155-T157 PolarHBondContact O-N 3.06Å; G155-D158 WeakPolarHBondContact O-CB 3.36Å; G155-D158 PolarHBondContact O-N 3.45Å; G155-F159 PolarHBondContact O-N 3.03Å; G155-F159 VanDerWaalsContact O-N 3.08Å | ||
| 156 | W | 83.2 | Confident | 88.3 | Confident | 194 Ų | 194 | 126.3 Ų | 126.3 | 74% | 0.735 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -56.4 | -30.2 | 167 | -68.7 | 87 | 0 | 0 | 0 | 111.5 | W154 F159 L160 | W154-W156 HydrophobicContact CH2-CD2 4.33Å; W154-W156 HydrophobicContact CH2-CE3 4.23Å; W154-W156 HydrophobicContact CH2-CH2 4.49Å; W154-W156 HydrophobicContact CH2-CZ3 4.32Å; W154-W156 HydrophobicContact CZ3-CD2 4.07Å; W154-W156 AromaticContact CZ3-CE2 3.89Å; W154-W156 HydrophobicContact CZ3-CE3 4.41Å; W154-W156 HydrophobicContact CZ3-CH2 4.45Å; W154-W156 HydrophobicContact CZ3-CZ2 4.11Å; W156-F159 PolarHBondContact O-N 3.36Å; W156-L160 PolarHBondContact O-N 2.9Å |
| 157 | T | 86.4 | Confident | 88.1 | Confident | 91 Ų | 91 | 127.8 Ų | 127.8 | 56% | 0.558 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.3 | -38.3 | 172.5 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | G155 F159 L160 M161 | G155-T157 PolarHBondContact O-N 3.06Å; T157-F159 VanDerWaalsContact C-N 3.31Å; T157-L160 PolarHBondContact O-N 2.83Å; T157-M161 VanDerWaalsContact O-CB 3.24Å; T157-M161 WeakPolarHBondContact O-CB 3.4Å; T157-M161 WeakPolarHBondContact O-CG 3.5Å; T157-M161 PolarHBondContact O-N 3.21Å |
| 158 | D | 85.8 | Confident | 88 | Confident | 105 Ų | 105 | 127.5 Ų | 127.5 | 56% | 0.561 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.7 | -33.3 | 175.5 | -79.1 | -10.7 | 0 | 0 | 0 | 111.5 | G155 N162 | G155-D158 WeakPolarHBondContact O-CB 3.36Å; G155-D158 PolarHBondContact O-N 3.45Å; D158-N162 PolarHBondContact O-N 3.4Å |
| 159 | F | 86.4 | Confident | 87.8 | Confident | 90 Ų | 90 | 122.7 Ų | 122.7 | 40% | 0.395 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.5 | -45.9 | 171.9 | 177.2 | -99.4 | 0 | 0 | 0 | 111.9 | W154 G155 W156 T157 N162 V165 | W154-F159 HydrophobicContact CZ2-CB 3.83Å; W154-F159 AromaticContact CZ2-CD2 3.95Å; W154-F159 HydrophobicContact CZ2-CD2 3.95Å; W154-F159 AromaticContact CZ2-CG 3.93Å; W154-F159 HydrophobicContact CZ2-CG 3.93Å; G155-F159 PolarHBondContact O-N 3.03Å; G155-F159 VanDerWaalsContact O-N 3.08Å; W156-F159 PolarHBondContact O-N 3.36Å; T157-F159 VanDerWaalsContact C-N 3.31Å; F159-N162 WeakPolarHBondContact O-CB 3.34Å; F159-N162 PolarHBondContact O-N 3.12Å; F159-V165 HydrophobicContact CD1-CG1 4.36Å; F159-V165 HydrophobicContact CD2-CG2 4.2Å; F159-V165 HydrophobicContact CE1-CG1 3.83Å; F159-V165 HydrophobicContact CE1-CG2 4.26Å; F159-V165 HydrophobicContact CE2-CG2 3.74Å; F159-V165 HydrophobicContact CZ-CG1 4.05Å; F159-V165 HydrophobicContact CZ-CG2 3.77Å; F159-V165 WeakPolarHBondContact O-CB 3.4Å |
| 160 | L | 86.4 | Confident | 87.6 | Confident | 96 Ų | 96 | 118.3 Ų | 118.3 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.5 | -40.1 | 176.9 | -83.2 | 169.5 | 0 | 0 | 0 | 112.5 | W156 T157 N162 M166 | W156-L160 PolarHBondContact O-N 2.9Å; T157-L160 PolarHBondContact O-N 2.83Å; L160-N162 PolarHBondContact O-N 3.31Å; L160-M166 WeakPolarHBondContact O-CG 3.26Å; L160-M166 VanDerWaalsContact O-SD 3.38Å |
| 161 | M | 87.8 | Confident | 87.5 | Confident | 152 Ų | 152 | 111.5 Ų | 111.5 | 75% | 0.749 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 0.4 | 176.4 | -71.9 | -174.3 | 170.7 | 0 | 0 | 113 | T157 | T157-M161 VanDerWaalsContact O-CB 3.24Å; T157-M161 WeakPolarHBondContact O-CB 3.4Å; T157-M161 WeakPolarHBondContact O-CG 3.5Å; T157-M161 PolarHBondContact O-N 3.21Å |
| 162 | N | 90.3 | Very high | 87.4 | Confident | 54 Ų | 54 | 106 Ų | 106 | 29% | 0.289 | 54% | 0.538 | S | S | . | . | trans | -66.3 | 122.5 | 172.2 | -170.6 | -36.9 | 0 | 0 | 0 | 109.4 | D158 F159 L160 M164 V165 M166 | D158-N162 PolarHBondContact O-N 3.4Å; F159-N162 WeakPolarHBondContact O-CB 3.34Å; F159-N162 PolarHBondContact O-N 3.12Å; L160-N162 PolarHBondContact O-N 3.31Å; N162-M164 PolarHBondContact O-N 2.87Å; N162-M164 PolarHBondContact OD1-N 3.46Å; N162-M164 VanDerWaalsContact OD1-N 3.09Å; N162-V165 HydrophobicContact CB-CB 4.31Å; N162-V165 HydrophobicContact CB-CG2 4.06Å; N162-V165 PolarHBondContact O-N 3.21Å; N162-M166 PolarHBondContact O-N 2.83Å | ||
| 163 | P | 89.4 | Confident | 87.6 | Confident | 92 Ų | 92 | 101 Ų | 101 | 60% | 0.597 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.5 | -28.7 | -176.3 | 22.2 | -33.9 | 0 | 0 | 0 | 112.8 | M167 | P163-M167 WeakPolarHBondContact O-CB 3.46Å; P163-M167 WeakPolarHBondContact O-CG 3.46Å; P163-M167 PolarHBondContact O-N 3.2Å |
| 164 | M | 90.2 | Very high | 87.6 | Confident | 135 Ų | 135 | 99.2 Ų | 99.2 | 67% | 0.665 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.8 | -40.3 | 176 | -66.8 | -175.1 | -77.2 | 0 | 0 | 112.3 | N162 M168 | N162-M164 PolarHBondContact O-N 2.87Å; N162-M164 PolarHBondContact OD1-N 3.46Å; N162-M164 VanDerWaalsContact OD1-N 3.09Å; M164-M168 WeakPolarHBondContact O-CG 3.31Å; M164-M168 PolarHBondContact O-N 2.87Å |
| 165 | V | 90.4 | Very high | 87.9 | Confident | 24 Ų | 24 | 96.7 Ų | 96.7 | 15% | 0.145 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -72.6 | -43.4 | -179.3 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | F159 N162 M167 M168 V169 | F159-V165 HydrophobicContact CD1-CG1 4.36Å; F159-V165 HydrophobicContact CD2-CG2 4.2Å; F159-V165 HydrophobicContact CE1-CG1 3.83Å; F159-V165 HydrophobicContact CE1-CG2 4.26Å; F159-V165 HydrophobicContact CE2-CG2 3.74Å; F159-V165 HydrophobicContact CZ-CG1 4.05Å; F159-V165 HydrophobicContact CZ-CG2 3.77Å; F159-V165 WeakPolarHBondContact O-CB 3.4Å; N162-V165 HydrophobicContact CB-CB 4.31Å; N162-V165 HydrophobicContact CB-CG2 4.06Å; N162-V165 PolarHBondContact O-N 3.21Å; V165-M167 VanDerWaalsContact C-N 3.35Å; V165-M167 PolarHBondContact O-N 3.02Å; V165-M168 PolarHBondContact O-N 2.9Å; V165-V169 HydrophobicContact CG1-CG2 4.03Å; V165-V169 WeakPolarHBondContact O-CB 3.2Å; V165-V169 WeakPolarHBondContact O-CG2 3.41Å; V165-V169 PolarHBondContact O-N 2.75Å |
| 166 | M | 91.3 | Very high | 88.1 | Confident | 84 Ų | 84 | 100.4 Ų | 100.4 | 41% | 0.414 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 175.5 | -75.8 | -64 | -78.2 | 0 | 0 | 112.1 | L160 N162 M168 V169 L170 | L160-M166 WeakPolarHBondContact O-CG 3.26Å; L160-M166 VanDerWaalsContact O-SD 3.38Å; N162-M166 PolarHBondContact O-N 2.83Å; M166-M168 PolarHBondContact O-N 2.91Å; M166-V169 PolarHBondContact O-N 2.8Å; M166-L170 WeakPolarHBondContact O-CB 3.48Å; M166-L170 PolarHBondContact O-N 2.9Å |
| 167 | M | 87.7 | Confident | 88.2 | Confident | 142 Ų | 142 | 95.3 Ų | 95.3 | 70% | 0.7 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.4 | -20.9 | -178 | -68.2 | -67.6 | 167.7 | 0 | 0 | 113 | P163 V165 P171 | P163-M167 WeakPolarHBondContact O-CB 3.46Å; P163-M167 WeakPolarHBondContact O-CG 3.46Å; P163-M167 PolarHBondContact O-N 3.2Å; V165-M167 VanDerWaalsContact C-N 3.35Å; V165-M167 PolarHBondContact O-N 3.02Å; M167-P171 WeakPolarHBondContact O-CD 3.42Å; M167-P171 WeakPolarHBondContact O-CG 3.47Å |
| 168 | M | 89.3 | Confident | 87.9 | Confident | 139 Ų | 139 | 94.8 Ų | 94.8 | 69% | 0.685 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -88.3 | -44.9 | 173.5 | -67.1 | -173.5 | 100.6 | 0 | 0 | 112.3 | M164 V165 M166 L172 | M164-M168 WeakPolarHBondContact O-CG 3.31Å; M164-M168 PolarHBondContact O-N 2.87Å; V165-M168 PolarHBondContact O-N 2.9Å; M166-M168 PolarHBondContact O-N 2.91Å; M168-L172 WeakPolarHBondContact O-CD1 3.28Å; M168-L172 VanDerWaalsContact O-CG 3.24Å; M168-L172 WeakPolarHBondContact O-CG 3.46Å |
| 169 | V | 90.3 | Very high | 87.4 | Confident | 75 Ų | 75 | 93.3 Ų | 93.3 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.5 | -39.7 | -173.4 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | V165 M166 L172 L173 | V165-V169 HydrophobicContact CG1-CG2 4.03Å; V165-V169 WeakPolarHBondContact O-CB 3.2Å; V165-V169 WeakPolarHBondContact O-CG2 3.41Å; V165-V169 PolarHBondContact O-N 2.75Å; M166-V169 PolarHBondContact O-N 2.8Å; V169-L172 PolarHBondContact O-N 2.85Å; V169-L173 WeakPolarHBondContact O-CB 3.4Å; V169-L173 PolarHBondContact O-N 3.5Å |
| 170 | L | 87.1 | Confident | 86.9 | Confident | 91 Ų | 91 | 97 Ų | 97 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | -176.5 | -176.7 | 70.3 | 0 | 0 | 0 | 112.4 | M166 L172 L173 I174 | M166-L170 WeakPolarHBondContact O-CB 3.48Å; M166-L170 PolarHBondContact O-N 2.9Å; L170-L172 PolarHBondContact O-N 2.91Å; L170-L173 PolarHBondContact O-N 3.45Å; L170-I174 HydrophobicContact CG-CD1 4.2Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 2.79Å; L170-I174 VanDerWaalsContact O-N 3.08Å |
| 171 | P | 86.9 | Confident | 86.3 | Confident | 58 Ų | 58 | 97.3 Ų | 97.3 | 38% | 0.377 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 176.7 | -23.7 | 37.1 | 0 | 0 | 0 | 113.2 | M167 L173 I174 I175 | M167-P171 WeakPolarHBondContact O-CD 3.42Å; M167-P171 WeakPolarHBondContact O-CG 3.47Å; P171-L173 VanDerWaalsContact C-N 3.35Å; P171-L173 PolarHBondContact O-N 3.12Å; P171-I174 PolarHBondContact O-N 3.17Å; P171-I175 WeakPolarHBondContact O-CD1 3.48Å; P171-I175 VanDerWaalsContact O-CG1 3.25Å; P171-I175 WeakPolarHBondContact O-CG1 3.32Å; P171-I175 PolarHBondContact O-N 2.82Å |
| 172 | L | 88.9 | Confident | 85.5 | Confident | 114 Ų | 114 | 91.4 Ų | 91.4 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.5 | -41.2 | 177.3 | -70.7 | 176 | 0 | 0 | 0 | 112 | M168 V169 L170 I175 V176 | M168-L172 WeakPolarHBondContact O-CD1 3.28Å; M168-L172 VanDerWaalsContact O-CG 3.24Å; M168-L172 WeakPolarHBondContact O-CG 3.46Å; V169-L172 PolarHBondContact O-N 2.85Å; L170-L172 PolarHBondContact O-N 2.91Å; L172-I175 PolarHBondContact O-N 2.8Å; L172-V176 WeakPolarHBondContact O-CG2 3.31Å; L172-V176 PolarHBondContact O-N 3.21Å; L172-V176 VanDerWaalsContact O-N 3.08Å |
| 173 | L | 90.4 | Very high | 84.2 | Confident | 90 Ų | 90 | 93.7 Ų | 93.7 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 176.5 | -169.6 | 158.6 | 0 | 0 | 0 | 110.8 | V169 L170 P171 V176 L177 | V169-L173 WeakPolarHBondContact O-CB 3.4Å; V169-L173 PolarHBondContact O-N 3.5Å; L170-L173 PolarHBondContact O-N 3.45Å; P171-L173 VanDerWaalsContact C-N 3.35Å; P171-L173 PolarHBondContact O-N 3.12Å; L173-V176 PolarHBondContact O-N 3.01Å; L173-L177 HydrophobicContact CD2-CD1 3.28Å; L173-L177 HydrophobicContact CD2-CG 3.89Å; L173-L177 HydrophobicContact CG-CD1 4.3Å; L173-L177 WeakPolarHBondContact O-CB 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.42Å |
| 174 | I | 87.4 | Confident | 82.8 | Confident | 77 Ų | 77 | 92.9 Ų | 92.9 | 40% | 0.395 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 174.6 | -69.7 | 169.7 | 0 | 0 | 0 | 110.7 | L170 P171 V176 L177 L178 | L170-I174 HydrophobicContact CG-CD1 4.2Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 2.79Å; L170-I174 VanDerWaalsContact O-N 3.08Å; P171-I174 PolarHBondContact O-N 3.17Å; I174-V176 PolarHBondContact O-N 2.87Å; I174-L177 PolarHBondContact O-N 3.44Å; I174-L178 HydrophobicContact CG2-CD1 3.35Å; I174-L178 HydrophobicContact CG2-CG 3.66Å; I174-L178 WeakPolarHBondContact O-CB 3.08Å; I174-L178 WeakPolarHBondContact O-CG 3.34Å; I174-L178 PolarHBondContact O-N 3.1Å |
| 175 | I | 86 | Confident | 81.3 | Confident | 111 Ų | 111 | 93.4 Ų | 93.4 | 57% | 0.569 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -31.8 | 179.3 | -68.6 | 162.8 | 0 | 0 | 0 | 112.1 | P171 L172 P179 | P171-I175 WeakPolarHBondContact O-CD1 3.48Å; P171-I175 VanDerWaalsContact O-CG1 3.25Å; P171-I175 WeakPolarHBondContact O-CG1 3.32Å; P171-I175 PolarHBondContact O-N 2.82Å; L172-I175 PolarHBondContact O-N 2.8Å; I175-P179 WeakPolarHBondContact O-CD 3.39Å; I175-P179 VanDerWaalsContact O-CG 3.25Å; I175-P179 WeakPolarHBondContact O-CG 3.46Å |
| 176 | V | 88.1 | Confident | 80 | Confident | 95 Ų | 95 | 96.1 Ų | 96.1 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -81.5 | -35 | 177.7 | 172.6 | 0 | 0 | 0 | 0 | 112.3 | L172 L173 I174 | L172-V176 WeakPolarHBondContact O-CG2 3.31Å; L172-V176 PolarHBondContact O-N 3.21Å; L172-V176 VanDerWaalsContact O-N 3.08Å; L173-V176 PolarHBondContact O-N 3.01Å; I174-V176 PolarHBondContact O-N 2.87Å |
| 177 | L | 85.4 | Confident | 78.8 | Confident | 87 Ų | 87 | 96.8 Ų | 96.8 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -84.4 | -35.8 | -179 | -71 | -171.4 | 0 | 0 | 0 | 113.2 | L173 I174 K180 V181 | L173-L177 HydrophobicContact CD2-CD1 3.28Å; L173-L177 HydrophobicContact CD2-CG 3.89Å; L173-L177 HydrophobicContact CG-CD1 4.3Å; L173-L177 WeakPolarHBondContact O-CB 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.42Å; I174-L177 PolarHBondContact O-N 3.44Å; L177-K180 CarbonylContact O-C 3.55Å; L177-K180 WeakPolarHBondContact O-CA 3.35Å; L177-K180 WeakPolarHBondContact O-CB 3.34Å; L177-K180 PolarHBondContact O-N 3.32Å; L177-V181 WeakPolarHBondContact O-CG2 3.13Å; L177-V181 PolarHBondContact O-N 2.61Å |
| 178 | L | 80.8 | Confident | 77.8 | Confident | 79 Ų | 79 | 97.4 Ų | 97.4 | 41% | 0.414 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -52.2 | -48.7 | 179.5 | -79.9 | 176.1 | 0 | 0 | 0 | 111.9 | I174 K180 V181 V182 | I174-L178 HydrophobicContact CG2-CD1 3.35Å; I174-L178 HydrophobicContact CG2-CG 3.66Å; I174-L178 WeakPolarHBondContact O-CB 3.08Å; I174-L178 WeakPolarHBondContact O-CG 3.34Å; I174-L178 PolarHBondContact O-N 3.1Å; L178-K180 PolarHBondContact O-N 3.21Å; L178-K180 VanDerWaalsContact O-N 3.16Å; L178-V181 PolarHBondContact O-N 2.81Å; L178-V182 HydrophobicContact CD2-CG2 3.93Å; L178-V182 WeakPolarHBondContact O-CA 3.29Å; L178-V182 WeakPolarHBondContact O-CB 3.33Å; L178-V182 WeakPolarHBondContact O-CG2 3.38Å; L178-V182 PolarHBondContact O-N 2.99Å |
| 179 | P | 74.4 | Confident | 76.7 | Confident | 74 Ų | 74 | 94.4 Ų | 94.4 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -21 | 177.7 | -18.9 | 31 | 0 | 0 | 0 | 114.1 | I175 | I175-P179 WeakPolarHBondContact O-CD 3.39Å; I175-P179 VanDerWaalsContact O-CG 3.25Å; I175-P179 WeakPolarHBondContact O-CG 3.46Å |
| 180 | K | 77.1 | Confident | 75.4 | Confident | 167 Ų | 167 | 97.2 Ų | 97.2 | 73% | 0.726 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -87.9 | -29.6 | -179.5 | -71.8 | -85.2 | 172.7 | 65.7 | 0 | 112.5 | L177 L178 | L177-K180 CarbonylContact O-C 3.55Å; L177-K180 WeakPolarHBondContact O-CA 3.35Å; L177-K180 WeakPolarHBondContact O-CB 3.34Å; L177-K180 PolarHBondContact O-N 3.32Å; L178-K180 PolarHBondContact O-N 3.21Å; L178-K180 VanDerWaalsContact O-N 3.16Å |
| 181 | V | 72.2 | Confident | 74.6 | Confident | 103 Ų | 103 | 99.5 Ų | 99.5 | 62% | 0.624 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -103.2 | -29.5 | -179.1 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | L177 L178 | L177-V181 WeakPolarHBondContact O-CG2 3.13Å; L177-V181 PolarHBondContact O-N 2.61Å; L178-V181 PolarHBondContact O-N 2.81Å |
| 182 | V | 71.1 | Confident | 73.6 | Confident | 28 Ų | 28 | 102.7 Ų | 102.7 | 17% | 0.17 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -89.1 | 106.6 | 170.3 | 177.9 | 0 | 0 | 0 | 0 | 107 | L178 T184 M189 | L178-V182 HydrophobicContact CD2-CG2 3.93Å; L178-V182 WeakPolarHBondContact O-CA 3.29Å; L178-V182 WeakPolarHBondContact O-CB 3.33Å; L178-V182 WeakPolarHBondContact O-CG2 3.38Å; L178-V182 PolarHBondContact O-N 2.99Å; V182-T184 PolarHBondContact O-N 2.69Å; V182-M189 HydrophobicContact CB-CE 3.74Å; V182-M189 HydrophobicContact CG1-CE 3.23Å; V182-M189 HydrophobicContact CG1-SD 3.87Å; V182-M189 HydrophobicContact CG2-CE 3.57Å |
| 183 | N | 63.5 | Low | 72.6 | Confident | 102 Ų | 102 | 103 Ų | 103 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | trans | -57.3 | 107.6 | 176 | -67.8 | -46.3 | 0 | 0 | 0 | 108.9 | N185 D186 | N183-N185 PolarHBondContact O-N 3.3Å; N183-D186 PolarHBondContact O-N 2.77Å | ||
| 184 | T | 59.6 | Low | 71.5 | Confident | 76 Ų | 76 | 105.1 Ų | 105.1 | 47% | 0.466 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -3 | -176.6 | -59.5 | 0 | 0 | 0 | 0 | 112.6 | V182 R190 | V182-T184 PolarHBondContact O-N 2.69Å; T184-R190 PolarHBondContact O-NE 3.22Å; T184-R190 PolarHBondContact O-NH2 3.46Å |
| 185 | N | 59.4 | Low | 70.5 | Confident | 146 Ų | 146 | 107.8 Ų | 107.8 | 78% | 0.781 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -2.6 | -176.2 | -64.3 | -60.8 | 0 | 0 | 0 | 115.1 | N183 | N183-N185 PolarHBondContact O-N 3.3Š|
| 186 | D | 64 | Low | 69.5 | Low | 80 Ų | 80 | 105 Ų | 105 | 43% | 0.428 | 54% | 0.538 | S | S | . | . | trans | -95.3 | 123.5 | -178.9 | -73.7 | -40.7 | 0 | 0 | 0 | 112.7 | N183 E188 | N183-D186 PolarHBondContact O-N 2.77Å; D186-E188 VanDerWaalsContact C-N 3.34Å; D186-E188 PolarHBondContact O-N 3.03Å | ||
| 187 | P | 65 | Low | 68.3 | Low | 98 Ų | 98 | 107 Ų | 107 | 64% | 0.636 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -74.2 | -13.9 | -176.6 | 27.9 | -34 | 0 | 0 | 0 | 115.1 | ||
| 188 | E | 66.6 | Low | 67.3 | Low | 155 Ų | 155 | 109 Ų | 109 | 72% | 0.724 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -80.3 | -45.9 | 175.6 | -80.8 | -168.2 | 146.1 | 0 | 0 | 112.7 | D186 R190 K191 E192 | D186-E188 VanDerWaalsContact C-N 3.34Å; D186-E188 PolarHBondContact O-N 3.03Å; E188-R190 PolarHBondContact O-N 2.9Å; E188-K191 PolarHBondContact O-N 3.5Å; E188-K191 VanDerWaalsContact O-N 3.09Å; E188-E192 PolarHBondContact O-N 3.17Å |
| 189 | M | 65.8 | Low | 66.3 | Low | 76 Ų | 76 | 112.5 Ų | 112.5 | 37% | 0.374 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.7 | -30.4 | 178.6 | -99.8 | 179.5 | 101.5 | 0 | 0 | 113.1 | V182 E192 M193 | V182-M189 HydrophobicContact CB-CE 3.74Å; V182-M189 HydrophobicContact CG1-CE 3.23Å; V182-M189 HydrophobicContact CG1-SD 3.87Å; V182-M189 HydrophobicContact CG2-CE 3.57Å; M189-E192 PolarHBondContact O-N 2.99Å; M189-M193 VanDerWaalsContact O-CB 3.31Å; M189-M193 WeakPolarHBondContact O-CB 3.22Å; M189-M193 PolarHBondContact O-N 2.8Å |
| 190 | R | 64 | Low | 65.6 | Low | 135 Ų | 135 | 115.8 Ų | 115.8 | 51% | 0.509 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65 | -40.7 | 174.7 | -67.6 | -176.1 | -178.4 | -166.5 | 1.3 | 112 | T184 E188 M193 E194 | T184-R190 PolarHBondContact O-NE 3.22Å; T184-R190 PolarHBondContact O-NH2 3.46Å; E188-R190 PolarHBondContact O-N 2.9Å; R190-M193 PolarHBondContact O-N 2.8Å; R190-E194 WeakPolarHBondContact O-CB 3.45Å; R190-E194 VanDerWaalsContact O-CG 3.26Å; R190-E194 WeakPolarHBondContact O-CG 3.15Å; R190-E194 PolarHBondContact O-N 3.34Å |
| 191 | K | 69.1 | Low | 64.6 | Low | 139 Ų | 139 | 112.2 Ų | 112.2 | 60% | 0.604 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66 | -38.4 | 176.3 | -73.4 | 179.1 | 178.2 | 176.2 | 0 | 111.7 | E188 Q195 | E188-K191 PolarHBondContact O-N 3.5Å; E188-K191 VanDerWaalsContact O-N 3.09Å; K191-Q195 WeakPolarHBondContact O-CB 3.4Å; K191-Q195 WeakPolarHBondContact O-CG 3.32Å; K191-Q195 PolarHBondContact O-N 2.97Å |
| 192 | E | 67.8 | Low | 63.4 | Low | 124 Ų | 124 | 112.7 Ų | 112.7 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71 | -34.2 | 175.6 | -64.8 | -178 | 174.2 | 0 | 0 | 112.5 | E188 M189 Q195 S196 | E188-E192 PolarHBondContact O-N 3.17Å; M189-E192 PolarHBondContact O-N 2.99Å; E192-Q195 PolarHBondContact O-N 3.32Å; E192-S196 WeakPolarHBondContact O-CB 3.37Å; E192-S196 PolarHBondContact O-N 3.46Å; E192-S196 PolarHBondContact O-OG 3.24Å |
| 193 | M | 67.7 | Low | 62.1 | Low | 121 Ų | 121 | 117 Ų | 117 | 60% | 0.596 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.3 | -39.6 | 175.1 | -155.7 | 174.2 | 94.7 | 0 | 0 | 111.7 | M189 R190 S196 M197 | M189-M193 VanDerWaalsContact O-CB 3.31Å; M189-M193 WeakPolarHBondContact O-CB 3.22Å; M189-M193 PolarHBondContact O-N 2.8Å; R190-M193 PolarHBondContact O-N 2.8Å; M193-S196 WeakPolarHBondContact CA-OG 3.47Å; M193-S196 PolarHBondContact O-OG 2.9Å; M193-M197 WeakPolarHBondContact O-CB 3.42Å; M193-M197 PolarHBondContact O-N 3.25Å |
| 194 | E | 67.4 | Low | 61.6 | Low | 134 Ų | 134 | 118 Ų | 118 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.2 | -41.2 | 172 | -75.3 | 169.5 | -165.2 | 0 | 0 | 111.6 | R190 N198 | R190-E194 WeakPolarHBondContact O-CB 3.45Å; R190-E194 VanDerWaalsContact O-CG 3.26Å; R190-E194 WeakPolarHBondContact O-CG 3.15Å; R190-E194 PolarHBondContact O-N 3.34Å; E194-N198 VanDerWaalsContact O-CB 3.26Å; E194-N198 WeakPolarHBondContact O-CB 3.37Å; E194-N198 PolarHBondContact O-N 3.26Å |
| 195 | Q | 66.7 | Low | 61 | Low | 134 Ų | 134 | 122.6 Ų | 122.6 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.2 | -42.7 | 176.7 | -75.7 | 172.7 | -0.4 | 0 | 0 | 112.9 | K191 E192 N198 M199 | K191-Q195 WeakPolarHBondContact O-CB 3.4Å; K191-Q195 WeakPolarHBondContact O-CG 3.32Å; K191-Q195 PolarHBondContact O-N 2.97Å; E192-Q195 PolarHBondContact O-N 3.32Å; Q195-N198 PolarHBondContact O-N 3.47Å; Q195-M199 WeakPolarHBondContact O-CB 3.37Å; Q195-M199 PolarHBondContact O-N 3.47Å |
| 196 | S | 63.9 | Low | 60.5 | Low | 51 Ų | 51 | 122.5 Ų | 122.5 | 36% | 0.357 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.2 | -33.7 | 177.9 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | E192 M193 M199 L200 | E192-S196 WeakPolarHBondContact O-CB 3.37Å; E192-S196 PolarHBondContact O-N 3.46Å; E192-S196 PolarHBondContact O-OG 3.24Å; M193-S196 WeakPolarHBondContact CA-OG 3.47Å; M193-S196 PolarHBondContact O-OG 2.9Å; S196-M199 PolarHBondContact O-N 2.93Å; S196-L200 WeakPolarHBondContact O-CB 3.48Å; S196-L200 VanDerWaalsContact O-CG 3.29Å; S196-L200 WeakPolarHBondContact O-CG 3.47Å; S196-L200 PolarHBondContact O-N 2.99Å |
| 197 | M | 63.5 | Low | 59.8 | Low | 137 Ų | 137 | 122.1 Ų | 122.1 | 68% | 0.675 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.1 | -36.5 | 172.3 | -166.7 | 66.8 | 175.3 | 0 | 0 | 111.9 | M193 M199 N201 | M193-M197 WeakPolarHBondContact O-CB 3.42Å; M193-M197 PolarHBondContact O-N 3.25Å; M197-M199 VanDerWaalsContact C-N 3.33Å; M197-N201 WeakPolarHBondContact O-CB 3.29Å; M197-N201 PolarHBondContact O-N 3.06Å |
| 198 | N | 64 | Low | 59.3 | Low | 129 Ų | 129 | 122.5 Ų | 122.5 | 69% | 0.69 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.7 | -31.1 | 172.3 | -165.9 | 33.6 | 0 | 0 | 0 | 112.1 | E194 Q195 | E194-N198 VanDerWaalsContact O-CB 3.26Å; E194-N198 WeakPolarHBondContact O-CB 3.37Å; E194-N198 PolarHBondContact O-N 3.26Å; Q195-N198 PolarHBondContact O-N 3.47Å |
| 199 | M | 60.6 | Low | 58.8 | Low | 153 Ų | 153 | 120.8 Ų | 120.8 | 75% | 0.754 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -83.2 | -30.8 | 179.2 | -165 | 162.4 | 71.6 | 0 | 0 | 113.7 | Q195 S196 M197 N201 | Q195-M199 WeakPolarHBondContact O-CB 3.37Å; Q195-M199 PolarHBondContact O-N 3.47Å; S196-M199 PolarHBondContact O-N 2.93Å; M197-M199 VanDerWaalsContact C-N 3.33Å; M199-N201 VanDerWaalsContact C-N 3.26Å |
| 200 | L | 59.8 | Low | 58.3 | Low | 143 Ų | 143 | 120.1 Ų | 120.1 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.8 | -8.6 | 172.8 | -71.1 | 170.1 | 0 | 0 | 0 | 113.1 | S196 P202 | S196-L200 WeakPolarHBondContact O-CB 3.48Å; S196-L200 VanDerWaalsContact O-CG 3.29Å; S196-L200 WeakPolarHBondContact O-CG 3.47Å; S196-L200 PolarHBondContact O-N 2.99Å; L200-P202 VanDerWaalsContact O-CD 3.23Å; L200-P202 WeakPolarHBondContact O-CD 3.34Å |
| 201 | N | 55.2 | Low | 58 | Low | 93 Ų | 93 | 119.6 Ų | 119.6 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | trans | -113.4 | 68.1 | 171.9 | -161.5 | 18.7 | 0 | 0 | 0 | 111.3 | M197 M199 N203 | M197-N201 WeakPolarHBondContact O-CB 3.29Å; M197-N201 PolarHBondContact O-N 3.06Å; M199-N201 VanDerWaalsContact C-N 3.26Å; N201-N203 PolarHBondContact O-N 3.4Å | ||
| 202 | P | 46.3 | Very low | 57.9 | Low | 112 Ų | 112 | 117.5 Ų | 117.5 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | trans | -74.4 | 14 | -177.5 | 32.2 | -36.5 | 0 | 0 | 0 | 114 | L200 | L200-P202 VanDerWaalsContact O-CD 3.23Å; L200-P202 WeakPolarHBondContact O-CD 3.34Å | ||
| 203 | N | 44.6 | Very low | 57.6 | Low | 119 Ų | 119 | 118.8 Ų | 118.8 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | trans | -132.2 | 109.2 | 177.5 | -127.7 | 3.9 | 0 | 0 | 0 | 111.9 | N201 E205 | N201-N203 PolarHBondContact O-N 3.4Å; N203-E205 PolarHBondContact O-N 2.64Å | ||
| 204 | P | 53.3 | Low | 57.2 | Low | 122 Ų | 122 | 117.1 Ų | 117.1 | 79% | 0.792 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -80.5 | 39.4 | -173.4 | 35.2 | -36.5 | 0 | 0 | 0 | 113.4 | ||
| 205 | E | 47.1 | Very low | 56.6 | Low | 173 Ų | 173 | 118.7 Ų | 118.7 | 81% | 0.808 | 64% | 0.635 | S | S | * | * | trans | -138.5 | 35.8 | -176.9 | -67.9 | -151.2 | 169.3 | 0 | 0 | 114.9 | N203 | N203-E205 PolarHBondContact O-N 2.64Š| ||
| 206 | L | 49.2 | Very low | 56.8 | Low | 144 Ų | 144 | 120 Ų | 120 | 75% | 0.754 | 65% | 0.645 | S | S | * | * | trans | -118.4 | 130.2 | 161 | -69 | 177.9 | 0 | 0 | 0 | 111.2 | ||||
| 207 | P | 49.4 | Very low | 56.9 | Low | 73 Ų | 73 | 126.9 Ų | 126.9 | 47% | 0.474 | 67% | 0.669 | S | S | . | * | trans | -72 | 153.4 | 177.9 | 31 | -32.7 | 0 | 0 | 0 | 110.6 | V209 | P207-V209 PolarHBondContact O-N 2.98Š| ||
| 208 | D | 54 | Low | 56.2 | Low | 105 Ų | 105 | 124 Ų | 124 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | trans | -44.4 | 133.4 | -173.7 | -169.3 | 21 | 0 | 0 | 0 | 112.6 | S210 E211 | D208-S210 VanDerWaalsContact CG-OG 3.29Å; D208-S210 PolarHBondContact O-N 3.48Å; D208-S210 PolarHBondContact OD2-OG 3.06Å; D208-E211 PolarHBondContact O-N 3.42Å | ||
| 209 | V | 56.3 | Low | 55.2 | Low | 120 Ų | 120 | 121.2 Ų | 121.2 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -55.1 | -22.1 | -175.9 | -78.3 | 0 | 0 | 0 | 0 | 113 | P207 M213 | P207-V209 PolarHBondContact O-N 2.98Å; V209-M213 PolarHBondContact O-N 2.88Å |
| 210 | S | 53.8 | Low | 54.7 | Low | 61 Ų | 61 | 119.2 Ų | 119.2 | 43% | 0.427 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.8 | -35.3 | 173.4 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | D208 T214 | D208-S210 VanDerWaalsContact CG-OG 3.29Å; D208-S210 PolarHBondContact O-N 3.48Å; D208-S210 PolarHBondContact OD2-OG 3.06Å; S210-T214 WeakPolarHBondContact O-CB 3.33Å; S210-T214 PolarHBondContact O-N 3.25Å; S210-T214 PolarHBondContact O-OG1 3.42Å |
| 211 | E | 57.5 | Low | 53.5 | Low | 125 Ų | 125 | 122.4 Ų | 122.4 | 58% | 0.584 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -78.7 | -37.6 | 179.4 | -69.5 | -166.4 | 158.8 | 0 | 0 | 112.2 | D208 T214 K215 | D208-E211 PolarHBondContact O-N 3.42Å; E211-T214 PolarHBondContact O-N 3.03Å; E211-K215 VanDerWaalsContact O-CB 3.27Å; E211-K215 WeakPolarHBondContact O-CB 3.49Å; E211-K215 PolarHBondContact O-N 3.22Å |
| 212 | L | 67.1 | Low | 52.4 | Low | 95 Ų | 95 | 121.5 Ų | 121.5 | 50% | 0.497 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -65.1 | -42.3 | 175.1 | -90.5 | 168.3 | 0 | 0 | 0 | 112.1 | K215 L216 | L212-K215 PolarHBondContact O-N 3.41Å; L212-L216 PolarHBondContact O-N 3.45Å |
| 213 | M | 61.8 | Low | 51.6 | Low | 150 Ų | 150 | 122 Ų | 122 | 74% | 0.739 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -66.6 | -38.3 | 177.3 | -168.3 | 174.2 | 175.9 | 0 | 0 | 111.5 | V209 F217 | V209-M213 PolarHBondContact O-N 2.88Å; M213-F217 VanDerWaalsContact O-CB 3.31Å; M213-F217 WeakPolarHBondContact O-CB 3.16Å; M213-F217 PolarHBondContact O-N 3.47Å; M213-F217 VanDerWaalsContact O-N 3.11Å |
| 214 | T | 59.2 | Low | 50.7 | Low | 87 Ų | 87 | 122 Ų | 122 | 53% | 0.534 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -69.4 | -36.4 | 175.6 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | S210 E211 F217 S218 | S210-T214 WeakPolarHBondContact O-CB 3.33Å; S210-T214 PolarHBondContact O-N 3.25Å; S210-T214 PolarHBondContact O-OG1 3.42Å; E211-T214 PolarHBondContact O-N 3.03Å; T214-F217 PolarHBondContact O-N 3.41Å; T214-S218 WeakPolarHBondContact O-CB 3.35Å; T214-S218 PolarHBondContact O-N 2.84Å; T214-S218 PolarHBondContact O-OG 2.83Å |
| 215 | K | 55.8 | Low | 49.7 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 73% | 0.726 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -74.1 | -30.3 | 179.7 | -150.6 | 169.8 | -172.4 | 175.3 | 0 | 113.2 | E211 L212 | E211-K215 VanDerWaalsContact O-CB 3.27Å; E211-K215 WeakPolarHBondContact O-CB 3.49Å; E211-K215 PolarHBondContact O-N 3.22Å; L212-K215 PolarHBondContact O-N 3.41Å |
| 216 | L | 69.9 | Low | 48.7 | Very low | 161 Ų | 161 | 123.4 Ų | 123.4 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -75.8 | -34 | 172.9 | -141.6 | 96.3 | 0 | 0 | 0 | 112.2 | L212 | L212-L216 PolarHBondContact O-N 3.45Å |
| 217 | F | 66.4 | Low | 47.6 | Very low | 195 Ų | 195 | 120.7 Ų | 120.7 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -91.3 | -22.8 | -177 | -165.9 | -108.9 | 0 | 0 | 0 | 114.1 | M213 T214 | M213-F217 VanDerWaalsContact O-CB 3.31Å; M213-F217 WeakPolarHBondContact O-CB 3.16Å; M213-F217 PolarHBondContact O-N 3.47Å; M213-F217 VanDerWaalsContact O-N 3.11Å; T214-F217 PolarHBondContact O-N 3.41Å |
| 218 | S | 48 | Very low | 46.4 | Very low | 77 Ų | 77 | 122.5 Ų | 122.5 | 54% | 0.538 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -97.4 | -0.8 | 179.3 | 70.4 | 0 | 0 | 0 | 0 | 115.1 | T214 S220 | T214-S218 WeakPolarHBondContact O-CB 3.35Å; T214-S218 PolarHBondContact O-N 2.84Å; T214-S218 PolarHBondContact O-OG 2.83Å; S218-S220 PolarHBondContact O-N 3.16Å |
| 219 | G | 44.7 | Very low | 45.1 | Very low | 71 Ų | 71 | 122.2 Ų | 122.2 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | trans | -70.1 | 29.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 220 | S | 48.4 | Very low | 43.8 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | -141.9 | 68.2 | 177.8 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | S218 | S218-S220 PolarHBondContact O-N 3.16Š| ||
| 221 | K | 34.6 | Very low | 42.6 | Very low | 210 Ų | 210 | 124.2 Ų | 124.2 | 91% | 0.913 | 74% | 0.742 | S | S | * | * | trans | 170.7 | 120.3 | 159.3 | -112.9 | 172.7 | 170.6 | 171.4 | 0 | 107.1 | ||||
| 222 | G | 32.2 | Very low | 41.4 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | cis | 164.1 | 159.5 | 5.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 223 | S | 29.3 | Very low | 39.8 | Very low | 123 Ų | 123 | 128 Ų | 128 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | 86.8 | 108 | 166 | 179.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 224 | S | 27.4 | Very low | 38.4 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | -157.8 | 140.6 | 113 | 60 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 225 | K | 30.5 | Very low | 37.6 | Very low | 194 Ų | 194 | 133.1 Ų | 133.1 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -65.8 | 152.5 | 171 | -65.7 | 167.8 | 172.8 | 173.2 | 0 | 109.2 | ||||
| 226 | T | 26.1 | Very low | 37.3 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | 178 | 143.4 | 70.5 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 227 | A | 26.6 | Very low | 35.8 | Very low | 88 Ų | 88 | 128 Ų | 128 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 58.4 | 117.9 | 154 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 228 | S | 25.6 | Very low | 34.8 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | 173.3 | 135.4 | 99.3 | 47.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 229 | S | 25.7 | Very low | 34.8 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | 58.1 | 126.8 | 145.3 | 62.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 230 | S | 28.2 | Very low | 34.9 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | 72.2 | 151.5 | 140.7 | 76.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 231 | S | 30.1 | Very low | 34.9 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 76% | 0.762 | 84% | 0.842 | S | S | * | * | cis | -162.3 | 137 | -25.3 | 47.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 232 | K | 32 | Very low | 34.9 | Very low | 221 Ų | 221 | 145.2 Ų | 145.2 | 96% | 0.961 | 84% | 0.839 | S | S | * | * | trans | -35.5 | 129.6 | 169.4 | -153.6 | 171.3 | -170.8 | 174.1 | 0 | 113.9 | ||||
| 233 | G | 32.2 | Very low | 35.1 | Very low | 78 Ų | 78 | 148.8 Ų | 148.8 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | -159.3 | 95.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 234 | S | 34.2 | Very low | 35.4 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 75% | 0.748 | 84% | 0.841 | S | S | * | * | trans | -78.3 | 144.4 | 170.9 | 69.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 235 | R | 42 | Very low | 35.8 | Very low | 238 Ų | 238 | 152.2 Ų | 152.2 | 90% | 0.898 | 84% | 0.843 | S | S | * | * | 176.7 | 158 | 123.9 | -97.3 | 178.4 | 133.6 | 155.1 | -1.8 | 113.2 | |||||
| 236 | P | 49.6 | Very low | 36.2 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | trans | -105.5 | 174.6 | -146.8 | 40.5 | -36.4 | 0 | 0 | 0 | 116.1 | ||||
| 237 | A | 37.4 | Very low | 36.9 | Very low | 103 Ų | 103 | 150.9 Ų | 150.9 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 135 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 238 | A | 46.9 | Very low | 37.6 | Very low | 104 Ų | 104 | 155.4 Ų | 155.4 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 124.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 239 | K | 46.2 | Very low | 38.5 | Very low | 210 Ų | 210 | 158.8 Ų | 158.8 | 91% | 0.913 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 130.7 | 166.9 | -174.8 | 170.6 | -173.8 | 173.6 | 0 | 108.3 | ||
| 240 | R | 47.5 | Very low | 39.6 | Very low | 245 Ų | 245 | 163.8 Ų | 163.8 | 93% | 0.925 | 87% | 0.874 | S | S | * | * | trans | -139.8 | 129.8 | 162.9 | -126.1 | 173.1 | 121.8 | 168.7 | -0.6 | 110.9 | ||||
| 241 | R | 48.6 | Very low | 40.6 | Very low | 318 Ų | 318 | 168.4 Ų | 168.4 | 100% | 1.2 | 88% | 0.881 | S | S | * | * | trans | -23.6 | 0 | 167.8 | -91 | 167.9 | 153.2 | 164.9 | -7.8 | 116.4 |
Retrieved 241 of 241 residues in 141.8 ms
(Link to these results)