| 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 | P | 46.9 | Very low | 36.4 | Very low | 173 Ų | 173 | 157.8 Ų | 157.8 | 100% | 1.123 | 86% | 0.858 | S | S | * | * | 0 | 104.6 | 0 | 27.4 | -6.2 | 0 | 0 | 0 | 111.4 | |||||
| 2 | L | 29.7 | Very low | 36 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 89% | 0.89 | 86% | 0.858 | S | S | * | * | trans | 174.1 | 106.5 | 146.6 | -106 | 134.6 | 0 | 0 | 0 | 110.3 | ||||
| 3 | I | 36.1 | Very low | 36.2 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 76% | 0.764 | 85% | 0.845 | S | S | * | * | trans | -2.8 | 135.2 | 147 | -38.5 | 178.3 | 0 | 0 | 0 | 117.3 | ||||
| 4 | T | 29.2 | Very low | 36.6 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | 166.9 | 141.4 | 104.7 | -54.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 5 | V | 39.5 | Very low | 36.4 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 69% | 0.685 | 84% | 0.837 | S | S | * | * | trans | -73.9 | 148.4 | -177.5 | 173.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 6 | T | 30.3 | Very low | 36.3 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | -152.1 | 132 | 142.9 | -43.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 7 | I | 40.4 | Very low | 36.6 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 74% | 0.738 | 83% | 0.831 | S | S | * | * | trans | -91.7 | 141.7 | 175.1 | -64.7 | 168.6 | 0 | 0 | 0 | 108.8 | ||||
| 8 | A | 31.8 | Very low | 36.9 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -131.4 | 131 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 9 | L | 43.3 | Very low | 37 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | trans | -71.2 | 143.8 | 172 | -87.6 | 100.3 | 0 | 0 | 0 | 111.3 | ||||
| 10 | Q | 31 | Very low | 37.5 | Very low | 196 Ų | 196 | 142 Ų | 142 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | trans | -155.9 | 137.7 | 142.1 | -141.7 | 150.6 | -23.3 | 0 | 0 | 114.9 | ||||
| 11 | R | 41.6 | Very low | 38.1 | Very low | 252 Ų | 252 | 137.8 Ų | 137.8 | 95% | 0.951 | 82% | 0.817 | S | S | * | * | trans | -58 | 142.5 | 171.3 | -90.3 | 170.7 | 162 | 166.8 | -5.3 | 112.3 | ||||
| 12 | G | 31.7 | Very low | 38.3 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -137.3 | 134 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 13 | S | 38.7 | Very low | 39.4 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | -99.7 | 146.8 | -162.4 | 175.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 14 | T | 41.9 | Very low | 40.2 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | 58.5 | 134.4 | 141.5 | 54.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 15 | G | 33.5 | Very low | 41.3 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | 128.9 | 137.6 | 145.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 16 | F | 34.8 | Very low | 42 | Very low | 193 Ų | 193 | 135.6 Ų | 135.6 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | cis | -169.7 | 135.3 | -1.2 | -151.6 | -110.3 | 0 | 0 | 0 | 106 | ||||
| 17 | L | 41.7 | Very low | 43.1 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | trans | 31.5 | 114.2 | 152.9 | -67.1 | 172.8 | 0 | 0 | 0 | 120.2 | ||||
| 18 | A | 41.1 | Very low | 43.8 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | 83.3 | 108.1 | 86.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 19 | S | 40 | Very low | 45 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | trans | -125.1 | 122.1 | 157.8 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 20 | I | 46.6 | Very low | 46 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | trans | -83.1 | 113.4 | -171.4 | -69.5 | 161.3 | 0 | 0 | 0 | 108.2 | ||||
| 21 | G | 50.3 | Low | 47.8 | Very low | 55 Ų | 55 | 133.5 Ų | 133.5 | 57% | 0.567 | 72% | 0.724 | S | S | * | * | trans | -119.2 | 145.2 | 163 | 0 | 0 | 0 | 0 | 0 | 109.6 | R23 | G21-R23 PolarHBondContact O-N 3.44Š| ||
| 22 | P | 50 | Low | 49.2 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 62% | 0.623 | 70% | 0.704 | S | S | * | * | trans | -61.8 | 129 | -165.1 | 22.3 | -31.8 | 0 | 0 | 0 | 112.6 | T24 A25 | P22-T24 PolarHBondContact O-N 3.1Å; P22-A25 PolarHBondContact O-N 3.16Å; P22-A25 VanDerWaalsContact O-N 3.12Å | ||
| 23 | R | 54.4 | Low | 51.3 | Low | 234 Ų | 234 | 127.5 Ų | 127.5 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -53.9 | -16.1 | -179.5 | -79.1 | 177.7 | 163.5 | 167.6 | -5.2 | 114.6 | G21 | G21-R23 PolarHBondContact O-N 3.44Å |
| 24 | T | 52.1 | Low | 53.1 | Low | 95 Ų | 95 | 125.4 Ų | 125.4 | 58% | 0.583 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -75.9 | -28 | 179.3 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | P22 K28 | P22-T24 PolarHBondContact O-N 3.1Å; T24-K28 WeakPolarHBondContact O-CG 3.43Å; T24-K28 PolarHBondContact O-N 2.76Å |
| 25 | A | 51.9 | Low | 54.9 | Low | 54 Ų | 54 | 123.3 Ų | 123.3 | 45% | 0.446 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -74.9 | -39.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | P22 K28 W29 | P22-A25 PolarHBondContact O-N 3.16Å; P22-A25 VanDerWaalsContact O-N 3.12Å; A25-K28 PolarHBondContact O-N 2.8Å; A25-W29 PolarHBondContact O-N 3.39Å; A25-W29 VanDerWaalsContact O-N 3.14Å |
| 26 | R | 54 | Low | 57.2 | Low | 210 Ų | 210 | 123.3 Ų | 123.3 | 79% | 0.792 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.2 | -41.2 | 176.7 | -74.1 | -172.3 | -175.6 | -162.1 | 1.2 | 112.4 | W29 S30 | R26-W29 PolarHBondContact O-N 3.06Å; R26-S30 PolarHBondContact O-N 2.99Å; R26-S30 PolarHBondContact O-OG 2.95Å; R26-S30 VanDerWaalsContact O-OG 3.1Å |
| 27 | R | 54.3 | Low | 59.4 | Low | 203 Ų | 203 | 116.8 Ų | 116.8 | 77% | 0.766 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.2 | -36.6 | -179.9 | -143.1 | 177.3 | -176.3 | -163.7 | 0.6 | 112 | V31 | R27-V31 VanDerWaalsContact O-CG2 3.29Å; R27-V31 WeakPolarHBondContact O-CG2 3.41Å; R27-V31 PolarHBondContact O-N 2.98Å; R27-V31 VanDerWaalsContact O-N 3.1Å |
| 28 | K | 56 | Low | 61.6 | Low | 151 Ų | 151 | 114.3 Ų | 114.3 | 66% | 0.657 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.5 | -45.3 | 174.3 | -74.9 | 179.5 | 176.5 | -170.8 | 0 | 111.9 | T24 A25 V31 V32 | T24-K28 WeakPolarHBondContact O-CG 3.43Å; T24-K28 PolarHBondContact O-N 2.76Å; A25-K28 PolarHBondContact O-N 2.8Å; K28-V31 PolarHBondContact O-N 3.17Å; K28-V32 VanDerWaalsContact O-CG2 3.26Å; K28-V32 WeakPolarHBondContact O-CG2 3.5Å; K28-V32 PolarHBondContact O-N 3.12Å |
| 29 | W | 57 | Low | 63.9 | Low | 183 Ų | 183 | 112.7 Ų | 112.7 | 69% | 0.693 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.9 | -42.6 | 176.7 | -88.4 | 40.2 | 0 | 0 | 0 | 112.3 | A25 R26 V31 V32 F33 | A25-W29 PolarHBondContact O-N 3.39Å; A25-W29 VanDerWaalsContact O-N 3.14Å; R26-W29 PolarHBondContact O-N 3.06Å; W29-V31 VanDerWaalsContact C-N 3.33Å; W29-V31 PolarHBondContact O-N 2.97Å; W29-V32 PolarHBondContact O-N 3.46Å; W29-F33 HydrophobicContact CB-CD2 4.42Å; W29-F33 HydrophobicContact CB-CE2 4.2Å; W29-F33 HydrophobicContact CD2-CE2 4.25Å; W29-F33 AromaticContact CE3-CE2 3.66Å; W29-F33 HydrophobicContact CE3-CE2 3.66Å; W29-F33 HydrophobicContact CE3-CZ 4.07Å; W29-F33 HydrophobicContact CZ3-CE2 4.33Å; W29-F33 HydrophobicContact CZ3-CZ 4.3Å; W29-F33 WeakPolarHBondContact O-CD2 3.48Å; W29-F33 PolarHBondContact O-N 3.36Å |
| 30 | S | 63.1 | Low | 66.1 | Low | 79 Ų | 79 | 112.8 Ų | 112.8 | 55% | 0.552 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.5 | -38 | 176.3 | -61.1 | 0 | 0 | 0 | 0 | 113.4 | R26 A34 | R26-S30 PolarHBondContact O-N 2.99Å; R26-S30 PolarHBondContact O-OG 2.95Å; R26-S30 VanDerWaalsContact O-OG 3.1Å; S30-A34 WeakPolarHBondContact O-CB 3.36Å; S30-A34 PolarHBondContact O-N 2.98Å |
| 31 | V | 68.3 | Low | 68.1 | Low | 88 Ų | 88 | 109 Ų | 109 | 53% | 0.533 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.7 | -40.4 | 175.5 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | R27 K28 W29 A34 V35 | R27-V31 VanDerWaalsContact O-CG2 3.29Å; R27-V31 WeakPolarHBondContact O-CG2 3.41Å; R27-V31 PolarHBondContact O-N 2.98Å; R27-V31 VanDerWaalsContact O-N 3.1Å; K28-V31 PolarHBondContact O-N 3.17Å; W29-V31 VanDerWaalsContact C-N 3.33Å; W29-V31 PolarHBondContact O-N 2.97Å; V31-A34 PolarHBondContact O-N 2.72Å; V31-V35 HydrophobicContact CG1-CG2 4.2Å; V31-V35 WeakPolarHBondContact O-CB 3.24Å; V31-V35 VanDerWaalsContact O-CG2 3.24Å; V31-V35 WeakPolarHBondContact O-CG2 3.26Å; V31-V35 PolarHBondContact O-N 2.77Å |
| 32 | V | 72.5 | Confident | 70 | Confident | 86 Ų | 86 | 111.2 Ų | 111.2 | 52% | 0.521 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.1 | -44.8 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 111 | K28 W29 A34 V35 T36 | K28-V32 VanDerWaalsContact O-CG2 3.26Å; K28-V32 WeakPolarHBondContact O-CG2 3.5Å; K28-V32 PolarHBondContact O-N 3.12Å; W29-V32 PolarHBondContact O-N 3.46Å; V32-A34 PolarHBondContact O-N 3.37Å; V32-V35 PolarHBondContact O-N 3.18Å; V32-T36 HydrophobicContact CG1-CG2 4.4Å; V32-T36 WeakPolarHBondContact O-CG2 3.49Å; V32-T36 PolarHBondContact O-N 3.35Å; V32-T36 PolarHBondContact O-OG1 3.01Å; V32-T36 VanDerWaalsContact O-OG1 3.05Å |
| 33 | F | 75.3 | Confident | 71.9 | Confident | 123 Ų | 123 | 111.2 Ų | 111.2 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.8 | -36.5 | 176.2 | -74 | -64.5 | 0 | 0 | 0 | 113.2 | W29 T36 A37 | W29-F33 HydrophobicContact CB-CD2 4.42Å; W29-F33 HydrophobicContact CB-CE2 4.2Å; W29-F33 HydrophobicContact CD2-CE2 4.25Å; W29-F33 AromaticContact CE3-CE2 3.66Å; W29-F33 HydrophobicContact CE3-CE2 3.66Å; W29-F33 HydrophobicContact CE3-CZ 4.07Å; W29-F33 HydrophobicContact CZ3-CE2 4.33Å; W29-F33 HydrophobicContact CZ3-CZ 4.3Å; W29-F33 WeakPolarHBondContact O-CD2 3.48Å; W29-F33 PolarHBondContact O-N 3.36Å; F33-T36 WeakPolarHBondContact CA-OG1 3.19Å; F33-T36 PolarHBondContact O-OG1 3.32Å; F33-T36 VanDerWaalsContact O-OG1 3.08Å; F33-A37 VanDerWaalsContact O-CB 3.25Å; F33-A37 WeakPolarHBondContact O-CB 3.44Å; F33-A37 PolarHBondContact O-N 3.2Å |
| 34 | A | 76.6 | Confident | 73.5 | Confident | 55 Ų | 55 | 102.8 Ų | 102.8 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.1 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S30 V31 V32 A37 V38 | S30-A34 WeakPolarHBondContact O-CB 3.36Å; S30-A34 PolarHBondContact O-N 2.98Å; V31-A34 PolarHBondContact O-N 2.72Å; V32-A34 PolarHBondContact O-N 3.37Å; A34-A37 PolarHBondContact O-N 3.45Å; A34-V38 VanDerWaalsContact O-CG2 3.29Å; A34-V38 WeakPolarHBondContact O-CG2 3.16Å; A34-V38 PolarHBondContact O-N 3.41Å |
| 35 | V | 80.3 | Confident | 75.2 | Confident | 93 Ų | 93 | 102.6 Ų | 102.6 | 56% | 0.564 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.3 | -40.6 | 178.7 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | V31 V32 V38 A39 | V31-V35 HydrophobicContact CG1-CG2 4.2Å; V31-V35 WeakPolarHBondContact O-CB 3.24Å; V31-V35 VanDerWaalsContact O-CG2 3.24Å; V31-V35 WeakPolarHBondContact O-CG2 3.26Å; V31-V35 PolarHBondContact O-N 2.77Å; V32-V35 PolarHBondContact O-N 3.18Å; V35-V38 PolarHBondContact O-N 3.33Å; V35-A39 WeakPolarHBondContact O-CB 3.33Å; V35-A39 PolarHBondContact O-N 3.02Å |
| 36 | T | 81 | Confident | 76.8 | Confident | 70 Ų | 70 | 104.4 Ų | 104.4 | 43% | 0.429 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.7 | -39 | 175.7 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | V32 F33 A39 M40 | V32-T36 HydrophobicContact CG1-CG2 4.4Å; V32-T36 WeakPolarHBondContact O-CG2 3.49Å; V32-T36 PolarHBondContact O-N 3.35Å; V32-T36 PolarHBondContact O-OG1 3.01Å; V32-T36 VanDerWaalsContact O-OG1 3.05Å; F33-T36 WeakPolarHBondContact CA-OG1 3.19Å; F33-T36 PolarHBondContact O-OG1 3.32Å; F33-T36 VanDerWaalsContact O-OG1 3.08Å; T36-A39 PolarHBondContact O-N 2.8Å; T36-M40 WeakPolarHBondContact O-CB 3.33Å; T36-M40 WeakPolarHBondContact O-CG 3.26Å; T36-M40 PolarHBondContact O-N 2.99Å |
| 37 | A | 82 | Confident | 78.3 | Confident | 56 Ų | 56 | 99 Ų | 99 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F33 A34 M40 V41 | F33-A37 VanDerWaalsContact O-CB 3.25Å; F33-A37 WeakPolarHBondContact O-CB 3.44Å; F33-A37 PolarHBondContact O-N 3.2Å; A34-A37 PolarHBondContact O-N 3.45Å; A37-M40 PolarHBondContact O-N 2.82Å; A37-V41 WeakPolarHBondContact O-CG2 3.46Å; A37-V41 PolarHBondContact O-N 2.64Å |
| 38 | V | 87.6 | Confident | 79.6 | Confident | 88 Ų | 88 | 91.4 Ų | 91.4 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.7 | 172.9 | 0 | 0 | 0 | 0 | 111 | A34 V35 M40 V41 L42 | A34-V38 VanDerWaalsContact O-CG2 3.29Å; A34-V38 WeakPolarHBondContact O-CG2 3.16Å; A34-V38 PolarHBondContact O-N 3.41Å; V35-V38 PolarHBondContact O-N 3.33Å; V38-M40 VanDerWaalsContact C-N 3.34Å; V38-M40 PolarHBondContact O-N 2.89Å; V38-V41 PolarHBondContact O-N 2.88Å; V38-L42 HydrophobicContact CG1-CD1 4.01Å; V38-L42 HydrophobicContact CG1-CG 4.39Å; V38-L42 WeakPolarHBondContact O-CG 3.44Å; V38-L42 PolarHBondContact O-N 3.02Å |
| 39 | A | 88.2 | Confident | 80.8 | Confident | 54 Ų | 54 | 87.6 Ų | 87.6 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V35 T36 L42 L43 | V35-A39 WeakPolarHBondContact O-CB 3.33Å; V35-A39 PolarHBondContact O-N 3.02Å; T36-A39 PolarHBondContact O-N 2.8Å; A39-L42 PolarHBondContact O-N 2.84Å; A39-L43 WeakPolarHBondContact O-CB 3.45Å; A39-L43 PolarHBondContact O-N 2.61Å |
| 40 | M | 87.3 | Confident | 81.9 | Confident | 126 Ų | 126 | 81.7 Ų | 81.7 | 62% | 0.621 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.9 | -37.8 | 176.4 | -71 | -65.4 | -70.1 | 0 | 0 | 112.3 | T36 A37 V38 L43 A44 | T36-M40 WeakPolarHBondContact O-CB 3.33Å; T36-M40 WeakPolarHBondContact O-CG 3.26Å; T36-M40 PolarHBondContact O-N 2.99Å; A37-M40 PolarHBondContact O-N 2.82Å; V38-M40 VanDerWaalsContact C-N 3.34Å; V38-M40 PolarHBondContact O-N 2.89Å; M40-L43 PolarHBondContact O-N 3.08Å; M40-A44 WeakPolarHBondContact O-CB 3.43Å; M40-A44 PolarHBondContact O-N 3.19Å |
| 41 | V | 88.8 | Confident | 82.5 | Confident | 90 Ų | 90 | 83.1 Ų | 83.1 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 175 | 171.6 | 0 | 0 | 0 | 0 | 111 | A37 V38 L43 A44 L45 | A37-V41 WeakPolarHBondContact O-CG2 3.46Å; A37-V41 PolarHBondContact O-N 2.64Å; V38-V41 PolarHBondContact O-N 2.88Å; V41-L43 PolarHBondContact O-N 3.27Å; V41-A44 PolarHBondContact O-N 3.01Å; V41-L45 HydrophobicContact CG1-CD1 4.08Å; V41-L45 WeakPolarHBondContact O-CG 3.43Å; V41-L45 PolarHBondContact O-N 3.4Å |
| 42 | L | 89.6 | Confident | 82.7 | Confident | 102 Ų | 102 | 84.7 Ų | 84.7 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 177.1 | -69 | 173.8 | 0 | 0 | 0 | 111.6 | V38 A39 L45 T46 | V38-L42 HydrophobicContact CG1-CD1 4.01Å; V38-L42 HydrophobicContact CG1-CG 4.39Å; V38-L42 WeakPolarHBondContact O-CG 3.44Å; V38-L42 PolarHBondContact O-N 3.02Å; A39-L42 PolarHBondContact O-N 2.84Å; L42-L45 PolarHBondContact O-N 2.81Å; L42-T46 WeakPolarHBondContact O-CG2 3.4Å; L42-T46 PolarHBondContact O-N 3.35Å; L42-T46 PolarHBondContact O-OG1 3.11Å |
| 43 | L | 90.1 | Very high | 82.6 | Confident | 96 Ų | 96 | 87.2 Ų | 87.2 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 174.5 | -169.5 | 78 | 0 | 0 | 0 | 112 | A39 M40 V41 L45 T46 I47 | A39-L43 WeakPolarHBondContact O-CB 3.45Å; A39-L43 PolarHBondContact O-N 2.61Å; M40-L43 PolarHBondContact O-N 3.08Å; V41-L43 PolarHBondContact O-N 3.27Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-T46 WeakPolarHBondContact CA-OG1 3.01Å; L43-T46 PolarHBondContact O-N 3.19Å; L43-T46 PolarHBondContact O-OG1 3.4Å; L43-I47 HydrophobicContact CG-CD1 4.18Å; L43-I47 WeakPolarHBondContact O-CG1 3.49Å; L43-I47 PolarHBondContact O-N 2.86Å |
| 44 | A | 87.4 | Confident | 82.1 | Confident | 56 Ų | 56 | 88 Ų | 88 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M40 V41 I47 A48 | M40-A44 WeakPolarHBondContact O-CB 3.43Å; M40-A44 PolarHBondContact O-N 3.19Å; V41-A44 PolarHBondContact O-N 3.01Å; A44-I47 PolarHBondContact O-N 3.46Å; A44-A48 WeakPolarHBondContact O-CB 3.15Å; A44-A48 PolarHBondContact O-N 2.93Å |
| 45 | L | 87.1 | Confident | 81.2 | Confident | 92 Ų | 92 | 95 Ų | 95 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.3 | -40.3 | 177.1 | -70.6 | 170.9 | 0 | 0 | 0 | 112.2 | V41 L42 L43 I47 V49 | V41-L45 HydrophobicContact CG1-CD1 4.08Å; V41-L45 WeakPolarHBondContact O-CG 3.43Å; V41-L45 PolarHBondContact O-N 3.4Å; L42-L45 PolarHBondContact O-N 2.81Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L45-I47 PolarHBondContact O-N 3.47Å; L45-V49 VanDerWaalsContact O-CB 3.29Å; L45-V49 WeakPolarHBondContact O-CB 3.35Å; L45-V49 VanDerWaalsContact O-CG2 3.24Å; L45-V49 WeakPolarHBondContact O-CG2 2.95Å; L45-V49 PolarHBondContact O-N 2.94Å |
| 46 | T | 85.6 | Confident | 80 | Confident | 92 Ų | 92 | 95.1 Ų | 95.1 | 56% | 0.564 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.4 | -20.4 | 177.5 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | L42 L43 P50 | L42-T46 WeakPolarHBondContact O-CG2 3.4Å; L42-T46 PolarHBondContact O-N 3.35Å; L42-T46 PolarHBondContact O-OG1 3.11Å; L43-T46 WeakPolarHBondContact CA-OG1 3.01Å; L43-T46 PolarHBondContact O-N 3.19Å; L43-T46 PolarHBondContact O-OG1 3.4Å; T46-P50 WeakPolarHBondContact O-CD 3.39Å; T46-P50 WeakPolarHBondContact O-CG 3.37Å |
| 47 | I | 86 | Confident | 78.7 | Confident | 96 Ų | 96 | 96.9 Ų | 96.9 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -93.2 | -43.5 | 174.6 | -63.1 | 169.4 | 0 | 0 | 0 | 111.2 | L43 A44 L45 P50 L51 | L43-I47 HydrophobicContact CG-CD1 4.18Å; L43-I47 WeakPolarHBondContact O-CG1 3.49Å; L43-I47 PolarHBondContact O-N 2.86Å; A44-I47 PolarHBondContact O-N 3.46Å; L45-I47 PolarHBondContact O-N 3.47Å; I47-P50 WeakPolarHBondContact O-CD 3.36Å; I47-L51 HydrophobicContact CG2-CD1 3.89Å; I47-L51 WeakPolarHBondContact O-CD1 3.38Å; I47-L51 WeakPolarHBondContact O-CG 3.44Å; I47-L51 PolarHBondContact O-N 3.01Å |
| 48 | A | 81.9 | Confident | 77 | Confident | 43 Ų | 43 | 102.7 Ų | 102.7 | 36% | 0.355 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -72 | -37.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A44 L51 L52 | A44-A48 WeakPolarHBondContact O-CB 3.15Å; A44-A48 PolarHBondContact O-N 2.93Å; A48-L51 PolarHBondContact O-N 2.84Å; A48-L52 WeakPolarHBondContact O-CB 3.39Å; A48-L52 PolarHBondContact O-N 2.76Å |
| 49 | V | 81.2 | Confident | 75 | Confident | 72 Ų | 72 | 104.7 Ų | 104.7 | 44% | 0.436 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -47.4 | -178.7 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | L45 L51 L52 L53 | L45-V49 VanDerWaalsContact O-CB 3.29Å; L45-V49 WeakPolarHBondContact O-CB 3.35Å; L45-V49 VanDerWaalsContact O-CG2 3.24Å; L45-V49 WeakPolarHBondContact O-CG2 2.95Å; L45-V49 PolarHBondContact O-N 2.94Å; V49-L51 VanDerWaalsContact C-N 3.32Å; V49-L51 PolarHBondContact O-N 3.3Å; V49-L52 PolarHBondContact O-N 2.9Å; V49-L53 HydrophobicContact CG1-CD1 3.91Å; V49-L53 HydrophobicContact CG1-CG 4.42Å; V49-L53 VanDerWaalsContact O-CG 3.29Å; V49-L53 WeakPolarHBondContact O-CG 3.25Å; V49-L53 PolarHBondContact O-N 3.49Å |
| 50 | P | 79.4 | Confident | 72.9 | Confident | 59 Ų | 59 | 106 Ų | 106 | 38% | 0.383 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.4 | -36.6 | 172.8 | -25.6 | 36.4 | 0 | 0 | 0 | 113.5 | T46 I47 L52 L53 L54 | T46-P50 WeakPolarHBondContact O-CD 3.39Å; T46-P50 WeakPolarHBondContact O-CG 3.37Å; I47-P50 WeakPolarHBondContact O-CD 3.36Å; P50-L52 VanDerWaalsContact C-N 3.35Å; P50-L53 PolarHBondContact O-N 3.48Å; P50-L54 VanDerWaalsContact O-CB 3.3Å; P50-L54 WeakPolarHBondContact O-CB 3.42Å; P50-L54 WeakPolarHBondContact O-CD1 3.33Å; P50-L54 VanDerWaalsContact O-CG 3.28Å; P50-L54 WeakPolarHBondContact O-CG 3.48Å; P50-L54 PolarHBondContact O-N 3.03Å |
| 51 | L | 77.4 | Confident | 70.7 | Confident | 109 Ų | 109 | 103.9 Ų | 103.9 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.3 | -33.4 | 176.5 | -76 | 170.8 | 0 | 0 | 0 | 113.1 | I47 A48 V49 R55 | I47-L51 HydrophobicContact CG2-CD1 3.89Å; I47-L51 WeakPolarHBondContact O-CD1 3.38Å; I47-L51 WeakPolarHBondContact O-CG 3.44Å; I47-L51 PolarHBondContact O-N 3.01Å; A48-L51 PolarHBondContact O-N 2.84Å; V49-L51 VanDerWaalsContact C-N 3.32Å; V49-L51 PolarHBondContact O-N 3.3Å; L51-R55 PolarHBondContact O-N 3.27Å |
| 52 | L | 70.4 | Confident | 68.4 | Low | 120 Ų | 120 | 107.1 Ų | 107.1 | 63% | 0.628 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.8 | -34.8 | 172.7 | -86.7 | 160.4 | 0 | 0 | 0 | 112.2 | A48 V49 P50 | A48-L52 WeakPolarHBondContact O-CB 3.39Å; A48-L52 PolarHBondContact O-N 2.76Å; V49-L52 PolarHBondContact O-N 2.9Å; P50-L52 VanDerWaalsContact C-N 3.35Å |
| 53 | L | 70.5 | Confident | 65.9 | Low | 140 Ų | 140 | 112.2 Ų | 112.2 | 73% | 0.733 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -80.5 | -22.6 | 178.2 | -64.8 | 174.8 | 0 | 0 | 0 | 113.5 | V49 P50 | V49-L53 HydrophobicContact CG1-CD1 3.91Å; V49-L53 HydrophobicContact CG1-CG 4.42Å; V49-L53 VanDerWaalsContact O-CG 3.29Å; V49-L53 WeakPolarHBondContact O-CG 3.25Å; V49-L53 PolarHBondContact O-N 3.49Å; P50-L53 PolarHBondContact O-N 3.48Å |
| 54 | L | 64.9 | Low | 63.5 | Low | 138 Ų | 138 | 117.9 Ų | 117.9 | 72% | 0.723 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -84 | -10.5 | 173.3 | -76.7 | 160.9 | 0 | 0 | 0 | 113.1 | P50 S56 | P50-L54 VanDerWaalsContact O-CB 3.3Å; P50-L54 WeakPolarHBondContact O-CB 3.42Å; P50-L54 WeakPolarHBondContact O-CD1 3.33Å; P50-L54 VanDerWaalsContact O-CG 3.28Å; P50-L54 WeakPolarHBondContact O-CG 3.48Å; P50-L54 PolarHBondContact O-N 3.03Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 3.2Å |
| 55 | R | 57.5 | Low | 61.2 | Low | 202 Ų | 202 | 122.7 Ų | 122.7 | 76% | 0.762 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -74.8 | 92.4 | 163.5 | -88.1 | -178 | 173 | -175.5 | -2.7 | 107.9 | L51 | L51-R55 PolarHBondContact O-N 3.27Š|
| 56 | S | 56 | Low | 58.9 | Low | 96 Ų | 96 | 126.8 Ų | 126.8 | 67% | 0.671 | 66% | 0.662 | S | S | * | * | trans | -46.9 | 128.7 | 157.8 | 40.9 | 0 | 0 | 0 | 0 | 108.6 | L54 E58 | L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 3.2Å; S56-E58 PolarHBondContact O-N 3.15Å; S56-E58 VanDerWaalsContact O-N 3.14Å | ||
| 57 | P | 53.5 | Low | 57 | Low | 108 Ų | 108 | 130.8 Ų | 130.8 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | trans | -59.1 | 123.3 | 163.4 | 26.6 | -29.6 | 0 | 0 | 0 | 105.6 | T59 | P57-T59 PolarHBondContact O-N 3.28Š| ||
| 58 | E | 46.4 | Very low | 55.1 | Low | 177 Ų | 177 | 129.1 Ų | 129.1 | 83% | 0.827 | 68% | 0.682 | S | S | * | * | trans | -51.2 | 111.1 | 163.2 | -76.9 | -169.6 | 149.6 | 0 | 0 | 106.2 | S56 S60 | S56-E58 PolarHBondContact O-N 3.15Å; S56-E58 VanDerWaalsContact O-N 3.14Å; E58-S60 PolarHBondContact O-N 2.8Å | ||
| 59 | T | 45.4 | Very low | 53.5 | Low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 70% | 0.698 | S | S | * | * | trans | -71.7 | 78 | 172.8 | 43.3 | 0 | 0 | 0 | 0 | 107.2 | P57 A61 | P57-T59 PolarHBondContact O-N 3.28Å; T59-A61 PolarHBondContact O-N 2.93Å | ||
| 60 | S | 44.3 | Very low | 51.7 | Low | 81 Ų | 81 | 135.4 Ų | 135.4 | 57% | 0.566 | 72% | 0.721 | S | S | * | * | trans | -71.3 | 74.5 | 157.2 | -53.9 | 0 | 0 | 0 | 0 | 106.9 | E58 H62 | E58-S60 PolarHBondContact O-N 2.8Å; S60-H62 PolarHBondContact O-N 2.97Å | ||
| 61 | A | 40.8 | Very low | 50.1 | Low | 83 Ų | 83 | 142.2 Ų | 142.2 | 69% | 0.686 | 74% | 0.739 | S | S | * | * | trans | -64.4 | 79.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | T59 Y63 | T59-A61 PolarHBondContact O-N 2.93Å; A61-Y63 PolarHBondContact O-N 3.34Å | ||
| 62 | H | 40.7 | Very low | 48.6 | Very low | 157 Ų | 157 | 145 Ų | 145 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -67.6 | 93.8 | 162.6 | -77.4 | -78.8 | 0 | 0 | 0 | 107 | S60 Y64 | S60-H62 PolarHBondContact O-N 2.97Å; H62-Y64 VanDerWaalsContact C-N 3.34Å; H62-Y64 PolarHBondContact O-N 3Å | ||
| 63 | Y | 36.7 | Very low | 47.2 | Very low | 210 Ų | 210 | 145.4 Ų | 145.4 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -44.3 | 100.3 | 154.2 | -105.1 | -105.1 | 0 | 0 | 0 | 108.2 | A61 E65 | A61-Y63 PolarHBondContact O-N 3.34Å; Y63-E65 PolarHBondContact O-N 3.1Å | ||
| 64 | Y | 40.1 | Very low | 45.9 | Very low | 215 Ų | 215 | 143.1 Ų | 143.1 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | trans | -79.5 | 100.5 | 149.9 | -89.4 | -87.2 | 0 | 0 | 0 | 105.5 | H62 M66 | H62-Y64 VanDerWaalsContact C-N 3.34Å; H62-Y64 PolarHBondContact O-N 3Å; Y64-M66 PolarHBondContact O-N 2.71Å | ||
| 65 | E | 38.8 | Very low | 44.6 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -53.8 | 107.1 | 162 | -83.4 | 179.7 | 139.7 | 0 | 0 | 108 | Y63 M67 | Y63-E65 PolarHBondContact O-N 3.1Å; E65-M67 HydrophobicContact CB-CG 4.44Å; E65-M67 PolarHBondContact O-N 2.95Å | ||
| 66 | M | 40.3 | Very low | 44 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -69 | 81 | 159.4 | -67.7 | -130.6 | -80.6 | 0 | 0 | 107.6 | Y64 G68 | Y64-M66 PolarHBondContact O-N 2.71Å; M66-G68 PolarHBondContact O-N 3.21Å | ||
| 67 | M | 45.6 | Very low | 43.1 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -65.1 | 85.1 | 160 | -80.7 | -85.7 | -83.3 | 0 | 0 | 107.6 | E65 | E65-M67 HydrophobicContact CB-CG 4.44Å; E65-M67 PolarHBondContact O-N 2.95Å | ||
| 68 | G | 45.8 | Very low | 42.2 | Very low | 60 Ų | 60 | 145.6 Ų | 145.6 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | trans | 171.2 | 70.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | M66 C70 | M66-G68 PolarHBondContact O-N 3.21Å; G68-C70 PolarHBondContact O-N 2.73Å | ||
| 69 | T | 47.6 | Very low | 41.9 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | trans | -67.5 | 103.5 | 162.7 | 58 | 0 | 0 | 0 | 0 | 107.9 | R71 | T69-R71 PolarHBondContact O-N 3.16Š| ||
| 70 | C | 43.9 | Very low | 41.4 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | trans | -68.1 | 101.8 | 168.3 | -151.8 | 0 | 0 | 0 | 0 | 107.4 | G68 | G68-C70 PolarHBondContact O-N 2.73Š| ||
| 71 | R | 45.1 | Very low | 41.1 | Very low | 202 Ų | 202 | 148.8 Ų | 148.8 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -97.2 | 122.5 | 174.7 | -64.5 | -172.5 | -175.9 | -152.3 | 0.3 | 108 | T69 V73 | T69-R71 PolarHBondContact O-N 3.16Å; R71-V73 PolarHBondContact O-N 2.85Å | ||
| 72 | M | 46.3 | Very low | 40.8 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | trans | -57.6 | 106.8 | 165.1 | -75.2 | -82.9 | -74.5 | 0 | 0 | 108.5 | C74 | M72-C74 VanDerWaalsContact C-N 3.25Å; M72-C74 PolarHBondContact O-N 2.82Å; M72-C74 VanDerWaalsContact O-N 3.11Å | ||
| 73 | V | 42.2 | Very low | 40.4 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -80.1 | 84.5 | 164.9 | -176.8 | 0 | 0 | 0 | 0 | 106.2 | R71 D75 | R71-V73 PolarHBondContact O-N 2.85Å; V73-D75 PolarHBondContact O-N 2.83Å | ||
| 74 | C | 41.4 | Very low | 40.4 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 63% | 0.628 | 79% | 0.79 | S | S | * | * | trans | -77 | 108.4 | 159 | -65.8 | 0 | 0 | 0 | 0 | 106.5 | M72 P76 | M72-C74 VanDerWaalsContact C-N 3.25Å; M72-C74 PolarHBondContact O-N 2.82Å; M72-C74 VanDerWaalsContact O-N 3.11Å; C74-P76 VanDerWaalsContact O-CD 3.26Å; C74-P76 WeakPolarHBondContact O-CD 3.36Å | ||
| 75 | D | 39.3 | Very low | 40.1 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -53.3 | 118.9 | 167.1 | -96.9 | -25.1 | 0 | 0 | 0 | 109.4 | V73 Y77 | V73-D75 PolarHBondContact O-N 2.83Å; D75-Y77 PolarHBondContact O-N 2.82Å | ||
| 76 | P | 43.4 | Very low | 40 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -83 | 103.8 | 170.4 | 30.5 | -25.7 | 0 | 0 | 0 | 108.4 | C74 S78 | C74-P76 VanDerWaalsContact O-CD 3.26Å; C74-P76 WeakPolarHBondContact O-CD 3.36Å; P76-S78 PolarHBondContact O-N 2.76Å | ||
| 77 | Y | 37.6 | Very low | 39.8 | Very low | 228 Ų | 228 | 133.8 Ų | 133.8 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -52.1 | 112.2 | 162.1 | -144 | -95.9 | 0 | 0 | 0 | 108.1 | D75 P79 | D75-Y77 PolarHBondContact O-N 2.82Å; Y77-P79 VanDerWaalsContact O-CD 3.26Å; Y77-P79 WeakPolarHBondContact O-CD 3.29Å | ||
| 78 | S | 35.7 | Very low | 39.3 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 122.2 | -174.1 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | P76 | P76-S78 PolarHBondContact O-N 2.76Š|
| 79 | P | 39.5 | Very low | 38.7 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 126.2 | 156.4 | 14.5 | 5.1 | 0 | 0 | 0 | 109 | Y77 | Y77-P79 VanDerWaalsContact O-CD 3.26Å; Y77-P79 WeakPolarHBondContact O-CD 3.29Å |
| 80 | K | 35.2 | Very low | 38.1 | Very low | 202 Ų | 202 | 137.6 Ų | 137.6 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 147.6 | 175.1 | -77.1 | 177.6 | 176.4 | 175.5 | 0 | 111.9 | ||
| 81 | P | 36.8 | Very low | 37.8 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 136.9 | -175.6 | 31.8 | -33.2 | 0 | 0 | 0 | 112.4 | ||
| 82 | G | 34.7 | Very low | 37.3 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -148.7 | 94.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 83 | G | 32.5 | Very low | 36.9 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 55.9 | 109.6 | 144.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 84 | A | 36.3 | Very low | 36.7 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | 153.8 | 103.4 | 112 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 85 | T | 34.7 | Very low | 36.4 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | 14.1 | 124.7 | 138.1 | 56 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 86 | A | 35.5 | Very low | 36.4 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | -173 | 150.1 | 111 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 87 | M | 37.8 | Very low | 36.4 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 94% | 0.941 | 82% | 0.823 | S | S | * | * | trans | -70.4 | 164.5 | -167.2 | -72.1 | 163.2 | 130 | 0 | 0 | 115.6 | ||||
| 88 | E | 34.8 | Very low | 36.9 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -45.6 | 155.3 | 166.5 | -65.4 | 173.9 | 118.2 | 0 | 0 | 114.3 | ||||
| 89 | V | 31.7 | Very low | 37.2 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 76% | 0.758 | 82% | 0.824 | S | S | * | * | 179.1 | 124 | 109.4 | 157.4 | 0 | 0 | 0 | 0 | 109.3 | Q91 | V89-Q91 HydrophobicContact CG1-CG 4.22Š| |||
| 90 | S | 35.3 | Very low | 37.9 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -73.7 | 122.4 | 163 | -67.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 91 | Q | 39.4 | Very low | 38.5 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | -147.2 | 127.7 | 149.2 | -72.5 | -164.6 | -27.9 | 0 | 0 | 110.8 | V89 | V89-Q91 HydrophobicContact CG1-CG 4.22Š| ||
| 92 | N | 34.3 | Very low | 39 | Very low | 146 Ų | 146 | 131 Ų | 131 | 78% | 0.781 | 82% | 0.822 | S | S | * | * | trans | -95.9 | 125 | 176.9 | -171.8 | 21.4 | 0 | 0 | 0 | 108.6 | ||||
| 93 | V | 37.5 | Very low | 39.9 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 81% | 0.806 | 83% | 0.827 | S | S | * | * | trans | -142.9 | 124.6 | 164.1 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 94 | N | 37.8 | Very low | 41.1 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | trans | -71 | 145 | 178.1 | -75.5 | -35.1 | 0 | 0 | 0 | 113.1 | ||||
| 95 | G | 35.2 | Very low | 42.3 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | 114.6 | 110.3 | 140.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 96 | V | 39.2 | Very low | 43.5 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 93% | 0.927 | 83% | 0.828 | S | S | * | * | 168.6 | 136.4 | 126.4 | 164 | 0 | 0 | 0 | 0 | 109 | |||||
| 97 | A | 43.5 | Very low | 45.2 | Very low | 89 Ų | 89 | 143 Ų | 143 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | trans | -81.8 | 173 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 98 | P | 47.9 | Very low | 46.8 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -96.7 | 164.7 | -139 | 38.3 | -39 | 0 | 0 | 0 | 116.8 | ||||
| 99 | L | 41.8 | Very low | 48.8 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | trans | -116.7 | 151.2 | 166.4 | -76 | 167.7 | 0 | 0 | 0 | 111 | ||||
| 100 | P | 53.6 | Low | 51 | Low | 110 Ų | 110 | 136.4 Ų | 136.4 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 156.3 | -164.2 | 31.3 | -34.8 | 0 | 0 | 0 | 114.5 | ||
| 101 | P | 48.7 | Very low | 52.8 | Low | 128 Ų | 128 | 134 Ų | 134 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 129.6 | -170.8 | 31.7 | -32.3 | 0 | 0 | 0 | 112.5 | ||
| 102 | M | 46.7 | Very low | 54.8 | Low | 188 Ų | 188 | 137 Ų | 137 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 131.7 | 162.6 | -74.2 | -173.5 | -116.8 | 0 | 0 | 109.5 | Q104 | M102-Q104 PolarHBondContact O-N 3.23Å; M102-Q104 VanDerWaalsContact O-N 3.13Å |
| 103 | A | 53.8 | Low | 57 | Low | 109 Ų | 109 | 136 Ų | 136 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -66.3 | 103.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 104 | Q | 57.3 | Low | 58.9 | Low | 186 Ų | 186 | 133 Ų | 133 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -88.7 | 115 | 162.7 | -167.8 | 163.3 | -7.6 | 0 | 0 | 108 | M102 T106 | M102-Q104 PolarHBondContact O-N 3.23Å; M102-Q104 VanDerWaalsContact O-N 3.13Å; Q104-T106 PolarHBondContact O-N 2.99Å | ||
| 105 | G | 61.1 | Low | 61 | Low | 70 Ų | 70 | 135.5 Ų | 135.5 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 134.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R107 | G105-R107 PolarHBondContact O-N 2.72Š|
| 106 | T | 60.6 | Low | 63.3 | Low | 142 Ų | 142 | 138.2 Ų | 138.2 | 87% | 0.871 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 126.3 | -176.5 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | Q104 G108 | Q104-T106 PolarHBondContact O-N 2.99Å; T106-G108 PolarHBondContact O-N 3.25Å |
| 107 | R | 72.1 | Confident | 65.1 | Low | 241 Ų | 241 | 133.9 Ų | 133.9 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 126 | 169.9 | -178 | 178.1 | -179.1 | 176.8 | 0.3 | 107.6 | G105 E109 | G105-R107 PolarHBondContact O-N 2.72Å; R107-E109 PolarHBondContact O-N 2.85Å |
| 108 | G | 69.8 | Low | 67.1 | Low | 61 Ų | 61 | 136 Ų | 136 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 140 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T106 | T106-G108 PolarHBondContact O-N 3.25Š|
| 109 | E | 76.9 | Confident | 68.8 | Low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 130.1 | 178.4 | -75.9 | -85.8 | 135.9 | 0 | 0 | 110.5 | R107 G111 | R107-E109 PolarHBondContact O-N 2.85Å; E109-G111 PolarHBondContact O-N 3.26Å |
| 110 | P | 79.2 | Confident | 70.6 | Confident | 114 Ų | 114 | 136 Ų | 136 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 135.1 | 172.8 | -25.3 | 34.1 | 0 | 0 | 0 | 110.8 | R112 | P110-R112 PolarHBondContact O-N 2.89Š|
| 111 | G | 72.9 | Confident | 72 | Confident | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 139.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E109 | E109-G111 PolarHBondContact O-N 3.26Š|
| 112 | R | 80.4 | Confident | 73.8 | Confident | 241 Ų | 241 | 136.6 Ų | 136.6 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 133.5 | -177.8 | -67.5 | -177.3 | -179 | -175.7 | 0 | 109.9 | P110 G114 | P110-R112 PolarHBondContact O-N 2.89Å; R112-G114 PolarHBondContact O-N 3.26Å |
| 113 | P | 81.8 | Confident | 75.3 | Confident | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 140.2 | 174.5 | -26.9 | 34.4 | 0 | 0 | 0 | 111.2 | ||
| 114 | G | 76.7 | Confident | 76.8 | Confident | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 148.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | R112 | R112-G114 PolarHBondContact O-N 3.26Š|
| 115 | K | 81.8 | Confident | 78.2 | Confident | 201 Ų | 201 | 131.9 Ų | 131.9 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 137 | 177.5 | -66 | -175.2 | -179.5 | -176.2 | 0 | 109.3 | G117 | K115-G117 PolarHBondContact O-N 3.01Š|
| 116 | P | 83.1 | Confident | 79 | Confident | 128 Ų | 128 | 131.6 Ų | 131.6 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 139.5 | 173.1 | -26.5 | 34.5 | 0 | 0 | 0 | 110.9 | ||
| 117 | G | 78.5 | Confident | 80.2 | Confident | 62 Ų | 62 | 130.7 Ų | 130.7 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 157.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K115 R119 | K115-G117 PolarHBondContact O-N 3.01Å; G117-R119 PolarHBondContact O-N 2.84Å |
| 118 | P | 84.3 | Confident | 80.9 | Confident | 132 Ų | 132 | 125.2 Ų | 125.2 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 140.3 | 175.8 | 25.8 | -32.9 | 0 | 0 | 0 | 110.1 | G120 | P118-G120 PolarHBondContact O-N 3.45Š|
| 119 | R | 83.2 | Confident | 81.4 | Confident | 245 Ų | 245 | 125.3 Ų | 125.3 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 132.5 | 174.1 | -170.4 | 176.7 | 178.6 | -174.5 | -0.4 | 108.5 | G117 | G117-R119 PolarHBondContact O-N 2.84Š|
| 120 | G | 79.8 | Confident | 81.8 | Confident | 49 Ų | 49 | 122.9 Ų | 122.9 | 51% | 0.505 | 78% | 0.78 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 158.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P118 | P118-G120 PolarHBondContact O-N 3.45Š|
| 121 | P | 84.2 | Confident | 82 | Confident | 122 Ų | 122 | 128.8 Ų | 128.8 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 147.7 | 177.6 | 25.2 | -33.1 | 0 | 0 | 0 | 110.7 | G123 | P121-G123 PolarHBondContact O-N 3.3Š|
| 122 | P | 84.7 | Confident | 82 | Confident | 128 Ų | 128 | 127.8 Ų | 127.8 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 138.4 | 172.1 | -24.1 | 34 | 0 | 0 | 0 | 110.9 | ||
| 123 | G | 79.7 | Confident | 81.9 | Confident | 73 Ų | 73 | 122.2 Ų | 122.2 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 152.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P121 | P121-G123 PolarHBondContact O-N 3.3Š|
| 124 | E | 84.1 | Confident | 81.9 | Confident | 187 Ų | 187 | 122.1 Ų | 122.1 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 142.7 | 177.1 | -64.8 | -172.7 | 162.8 | 0 | 0 | 110.8 | G126 | E124-G126 PolarHBondContact O-N 3.46Š|
| 125 | P | 86.6 | Confident | 81.5 | Confident | 125 Ų | 125 | 122.2 Ų | 122.2 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 136.5 | 173.9 | -24.7 | 34.1 | 0 | 0 | 0 | 111.2 | ||
| 126 | G | 79.8 | Confident | 81.2 | Confident | 63 Ų | 63 | 121.9 Ų | 121.9 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61 | 154 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E124 | E124-G126 PolarHBondContact O-N 3.46Š|
| 127 | P | 84.6 | Confident | 80.5 | Confident | 123 Ų | 123 | 127.1 Ų | 127.1 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 150.2 | 176.5 | 26.1 | -33.8 | 0 | 0 | 0 | 110.8 | G129 | P127-G129 PolarHBondContact O-N 3.05Š|
| 128 | P | 87.5 | Confident | 78.9 | Confident | 127 Ų | 127 | 127 Ų | 127 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 138.9 | 173.4 | -25.2 | 34 | 0 | 0 | 0 | 111.5 | ||
| 129 | G | 79.1 | Confident | 77.5 | Confident | 63 Ų | 63 | 127.2 Ų | 127.2 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 153.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P127 | P127-G129 PolarHBondContact O-N 3.05Š|
| 130 | P | 84.9 | Confident | 76 | Confident | 130 Ų | 130 | 122.9 Ų | 122.9 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 145.4 | 176.1 | 25.9 | -33.4 | 0 | 0 | 0 | 110.5 | G132 | P130-G132 PolarHBondContact O-N 2.7Š|
| 131 | R | 84.4 | Confident | 74.3 | Confident | 239 Ų | 239 | 129.7 Ų | 129.7 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 132 | 172.7 | -177.2 | 177.7 | 171.7 | -177.2 | -1.5 | 109.1 | ||
| 132 | G | 73.3 | Confident | 72.5 | Confident | 50 Ų | 50 | 132.1 Ų | 132.1 | 52% | 0.515 | 79% | 0.787 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 155.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P130 | P130-G132 PolarHBondContact O-N 2.7Š|
| 133 | P | 78.8 | Confident | 70.1 | Confident | 124 Ų | 124 | 129.9 Ų | 129.9 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 146.2 | 178.4 | 24.1 | -32.6 | 0 | 0 | 0 | 110.9 | G135 | P133-G135 PolarHBondContact O-N 3.38Š|
| 134 | P | 81.9 | Confident | 68.3 | Low | 123 Ų | 123 | 134.2 Ų | 134.2 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 133.6 | 170.7 | -23.3 | 33.5 | 0 | 0 | 0 | 110.4 | ||
| 135 | G | 66.9 | Low | 66 | Low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 145 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P133 R137 | P133-G135 PolarHBondContact O-N 3.38Å; G135-R137 PolarHBondContact O-N 3.47Å |
| 136 | E | 76.2 | Confident | 63.6 | Low | 193 Ų | 193 | 128.1 Ų | 128.1 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 135.4 | 177.8 | -65.1 | -165.9 | 148.8 | 0 | 0 | 110.5 | G138 | E136-G138 PolarHBondContact O-N 2.68Å; E136-G138 VanDerWaalsContact O-N 3.16Å |
| 137 | R | 68.5 | Low | 61.8 | Low | 238 Ų | 238 | 132.7 Ų | 132.7 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -69.2 | 109.5 | 174.1 | 178.5 | -172.1 | -61.9 | -173.3 | 0.5 | 107.4 | G135 D139 | G135-R137 PolarHBondContact O-N 3.47Å; R137-D139 PolarHBondContact O-N 2.95Å; R137-D139 VanDerWaalsContact O-N 3.1Å | ||
| 138 | G | 45.5 | Very low | 59.8 | Low | 59 Ų | 59 | 131.7 Ų | 131.7 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | trans | -52.8 | 114.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E136 | E136-G138 PolarHBondContact O-N 2.68Å; E136-G138 VanDerWaalsContact O-N 3.16Å | ||
| 139 | D | 53.6 | Low | 57.2 | Low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -73.9 | 113.4 | 157.3 | 44 | -35.9 | 0 | 0 | 0 | 108.2 | R137 K141 | R137-D139 PolarHBondContact O-N 2.95Å; R137-D139 VanDerWaalsContact O-N 3.1Å; D139-K141 PolarHBondContact O-N 2.94Å | ||
| 140 | N | 51.8 | Low | 55.4 | Low | 155 Ų | 155 | 131.1 Ų | 131.1 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 69.3 | -175.9 | -70.4 | -21.3 | 0 | 0 | 0 | 112.7 | ||
| 141 | K | 43.7 | Very low | 53.1 | Low | 192 Ų | 192 | 130.1 Ų | 130.1 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | 2.1 | 164.6 | -81.8 | -169.9 | 176 | -177.7 | 0 | 114.7 | D139 | D139-K141 PolarHBondContact O-N 2.94Š|
| 142 | L | 46.8 | Very low | 50.7 | Low | 173 Ų | 173 | 122.4 Ų | 122.4 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -130.9 | 61.8 | 169.3 | -67.4 | 170 | 0 | 0 | 0 | 109.7 | F144 | L142-F144 PolarHBondContact O-N 3.11Š| ||
| 143 | A | 34 | Very low | 49 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | trans | -70.8 | 99.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | T145 | A143-T145 VanDerWaalsContact C-N 3.26Å; A143-T145 PolarHBondContact O-N 3.04Å | ||
| 144 | F | 42.1 | Very low | 46.8 | Very low | 164 Ų | 164 | 122.9 Ų | 122.9 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -70.4 | 90.6 | 163.8 | -137 | -89.6 | 0 | 0 | 0 | 106.7 | L142 A146 | L142-F144 PolarHBondContact O-N 3.11Å; F144-A146 PolarHBondContact O-N 2.87Å | ||
| 145 | T | 35.1 | Very low | 44.5 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 58% | 0.577 | 79% | 0.794 | S | S | * | * | trans | -62.9 | 104.3 | 172.9 | -41 | 0 | 0 | 0 | 0 | 107.8 | A143 L147 | A143-T145 VanDerWaalsContact C-N 3.26Å; A143-T145 PolarHBondContact O-N 3.04Å; T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 HydrophobicContact CG2-CG 4.49Å; T145-L147 PolarHBondContact O-N 2.91Å | ||
| 146 | A | 37.7 | Very low | 43.4 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -65.2 | 95.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | F144 A148 | F144-A146 PolarHBondContact O-N 2.87Å; A146-A148 VanDerWaalsContact C-N 3.3Å; A146-A148 PolarHBondContact O-N 2.88Å; A146-A148 VanDerWaalsContact O-N 3.12Å | ||
| 147 | L | 42.4 | Very low | 41.6 | Very low | 159 Ų | 159 | 124.4 Ų | 124.4 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -79.6 | 87.6 | 166.9 | -86.1 | 158.1 | 0 | 0 | 0 | 107.7 | T145 G149 | T145-L147 VanDerWaalsContact C-N 3.32Å; T145-L147 HydrophobicContact CG2-CG 4.49Å; T145-L147 PolarHBondContact O-N 2.91Å; L147-G149 PolarHBondContact O-N 2.87Å | ||
| 148 | A | 40.8 | Very low | 40.4 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -71.4 | 112.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | A146 | A146-A148 VanDerWaalsContact C-N 3.3Å; A146-A148 PolarHBondContact O-N 2.88Å; A146-A148 VanDerWaalsContact O-N 3.12Å | ||
| 149 | G | 34.8 | Very low | 39.9 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | -146.3 | 125.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | L147 | L147-G149 PolarHBondContact O-N 2.87Š| ||
| 150 | A | 41.3 | Very low | 39.2 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | cis | -157.9 | 141.1 | 19.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 151 | A | 36.6 | Very low | 38.8 | Very low | 109 Ų | 109 | 121 Ų | 121 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -163.8 | 109.6 | 136.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 152 | G | 32.2 | Very low | 39 | Very low | 76 Ų | 76 | 116.7 Ų | 116.7 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 127.1 | 100 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 153 | A | 37.7 | Very low | 38.7 | Very low | 110 Ų | 110 | 115 Ų | 115 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | 55.2 | 125.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 154 | G | 34.4 | Very low | 39.5 | Very low | 75 Ų | 75 | 117.3 Ų | 117.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | 109 | 110.3 | 129.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 155 | D | 33.7 | Very low | 39.4 | Very low | 157 Ų | 157 | 114.1 Ų | 114.1 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | 90.9 | 140.5 | 139.6 | -138.6 | 3.7 | 0 | 0 | 0 | 121.3 | ||||
| 156 | T | 42.1 | Very low | 40.1 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -69.5 | 142.5 | -172.3 | 50.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 157 | V | 39.7 | Very low | 41 | Very low | 148 Ų | 148 | 117.1 Ų | 117.1 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -157.5 | 125.8 | 139.4 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 158 | E | 42 | Very low | 42.3 | Very low | 198 Ų | 198 | 111.5 Ų | 111.5 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -78.5 | 143.4 | 166 | -67.7 | 179.2 | 143 | 0 | 0 | 111.3 | ||||
| 159 | G | 36.8 | Very low | 44.4 | Very low | 74 Ų | 74 | 113.2 Ų | 113.2 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 174.3 | 101.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 160 | D | 38 | Very low | 47.2 | Very low | 169 Ų | 169 | 116 Ų | 116 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | trans | 45.5 | 111.1 | 151.1 | -74.2 | -16.4 | 0 | 0 | 0 | 122 | ||||
| 161 | G | 42.9 | Very low | 49.9 | Very low | 76 Ų | 76 | 111.5 Ų | 111.5 | 78% | 0.784 | 73% | 0.732 | S | S | * | * | 63.5 | 100 | 108.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 162 | A | 48.2 | Very low | 52.8 | Low | 102 Ų | 102 | 107.7 Ų | 107.7 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | trans | 70.9 | 79.4 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 163 | N | 41.1 | Very low | 56 | Low | 139 Ų | 139 | 104.4 Ų | 104.4 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | -150.2 | 87.5 | 125.9 | -135.8 | 1.4 | 0 | 0 | 0 | 109.3 | T165 | N163-T165 HydrophobicContact CB-CG2 4.03Å; N163-T165 VanDerWaalsContact CG-CG2 3.46Å; N163-T165 WeakPolarHBondContact ND2-CG2 3.24Å; N163-T165 PolarHBondContact O-N 3.18Å | |||
| 164 | S | 49.6 | Very low | 58.9 | Low | 127 Ų | 127 | 103 Ų | 103 | 89% | 0.888 | 64% | 0.637 | S | S | * | * | trans | -71.3 | 68.2 | 164.7 | -152.7 | 0 | 0 | 0 | 0 | 107.5 | V166 | S164-V166 PolarHBondContact O-N 3.48Å; S164-V166 VanDerWaalsContact O-N 3.17Å | ||
| 165 | T | 41.1 | Very low | 62 | Low | 98 Ų | 98 | 99.4 Ų | 99.4 | 60% | 0.601 | 60% | 0.6 | S | S | * | * | trans | -74.3 | 103.7 | 172 | 50.1 | 0 | 0 | 0 | 0 | 105.9 | N163 S167 | N163-T165 HydrophobicContact CB-CG2 4.03Å; N163-T165 VanDerWaalsContact CG-CG2 3.46Å; N163-T165 WeakPolarHBondContact ND2-CG2 3.24Å; N163-T165 PolarHBondContact O-N 3.18Å; T165-S167 PolarHBondContact O-N 2.67Å | ||
| 166 | V | 49.7 | Very low | 65.1 | Low | 135 Ų | 135 | 91.9 Ų | 91.9 | 82% | 0.818 | 56% | 0.56 | S | S | * | * | trans | -12.9 | 101.9 | 169.7 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | S164 G168 | S164-V166 PolarHBondContact O-N 3.48Å; S164-V166 VanDerWaalsContact O-N 3.17Å; V166-G168 PolarHBondContact O-N 2.98Å | ||
| 167 | S | 56.1 | Low | 67.7 | Low | 112 Ų | 112 | 86.4 Ų | 86.4 | 78% | 0.783 | 53% | 0.526 | S | S | * | . | trans | -65.4 | 84 | 167.4 | 60.2 | 0 | 0 | 0 | 0 | 106.2 | T165 Y169 | T165-S167 PolarHBondContact O-N 2.67Å; S167-Y169 PolarHBondContact O-N 2.79Å | ||
| 168 | G | 69.8 | Low | 70.3 | Confident | 41 Ų | 41 | 83.6 Ų | 83.6 | 42% | 0.423 | 50% | 0.502 | S | S | . | . | trans | -55.8 | 136.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | V166 R170 | V166-G168 PolarHBondContact O-N 2.98Å; G168-R170 PolarHBondContact O-N 3.48Å | ||
| 169 | Y | 84.3 | Confident | 72.6 | Confident | 138 Ų | 138 | 79.1 Ų | 79.1 | 54% | 0.541 | 48% | 0.484 | S | S | . | . | trans | -62.6 | 107.2 | 172.4 | -62 | -79.1 | 0 | 0 | 0 | 108.1 | S167 V211 I295 P298 | S167-Y169 PolarHBondContact O-N 2.79Å; Y169-V211 HydrophobicContact CD1-CB 4.25Å; Y169-V211 HydrophobicContact CD1-CG1 3.69Å; Y169-V211 HydrophobicContact CD1-CG2 3.56Å; Y169-V211 HydrophobicContact CD2-CG1 4.08Å; Y169-V211 HydrophobicContact CE1-CB 4.5Å; Y169-V211 HydrophobicContact CE1-CG1 3.85Å; Y169-V211 HydrophobicContact CE1-CG2 3.77Å; Y169-V211 HydrophobicContact CE2-CG1 4.23Å; Y169-V211 HydrophobicContact CG-CG1 3.79Å; Y169-V211 HydrophobicContact CG-CG2 4.38Å; Y169-I295 WeakPolarHBondContact O-CG2 3.28Å; Y169-P298 HydrophobicContact CD2-CB 3.51Å; Y169-P298 HydrophobicContact CD2-CG 3.75Å; Y169-P298 HydrophobicContact CE2-CB 3.94Å; Y169-P298 HydrophobicContact CE2-CG 4.31Å; Y169-P298 HydrophobicContact CG-CB 4.35Å | ||
| 170 | R | 93.4 | Very high | 75 | Confident | 131 Ų | 131 | 78.7 Ų | 78.7 | 49% | 0.494 | 47% | 0.468 | S | S | . | . | trans | -104.1 | 99.1 | 176.5 | -60.8 | -176.6 | -176 | -163.9 | 1 | 108.1 | G168 L196 | G168-R170 PolarHBondContact O-N 3.48Å; R170-L196 HydrophobicContact CB-CD2 3.62Å; R170-L196 HydrophobicContact CB-CG 4.27Å; R170-L196 WeakPolarHBondContact O-CG 3.35Å | ||
| 171 | I | 97.9 | Very high | 77.2 | Confident | 11 Ų | 11 | 72 Ų | 72 | 6% | 0.056 | 43% | 0.432 | C | S | . | . | trans | -127 | 119.4 | -179.2 | -59.4 | 162.8 | 0 | 0 | 0 | 107.7 | L196 H199 F207 V211 Y215 F294 I295 | I171-L196 WeakPolarHBondContact CA-O 3.23Å; I171-H199 VanDerWaalsContact CD1-CE1 3.46Å; I171-H199 WeakPolarHBondContact CD1-CE1 3.2Å; I171-H199 HydrophobicContact CG2-CB 4.26Å; I171-F207 HydrophobicContact CG2-CE2 3.75Å; I171-F207 HydrophobicContact CG2-CZ 3.87Å; I171-V211 HydrophobicContact CD1-CB 3.97Å; I171-V211 HydrophobicContact CD1-CG2 3.9Å; I171-Y215 HydrophobicContact CD1-CE1 4.44Å; I171-Y215 HydrophobicContact CG2-CE1 4.2Å; I171-F294 VanDerWaalsContact O-CA 3.24Å; I171-F294 WeakPolarHBondContact O-CA 3.28Å; I171-F294 WeakPolarHBondContact O-CB 3.12Å; I171-I295 HydrophobicContact CB-CB 4.21Å; I171-I295 HydrophobicContact CB-CG2 3.88Å; I171-I295 HydrophobicContact CD1-CD1 4.33Å; I171-I295 HydrophobicContact CG1-CG2 4.44Å; I171-I295 PolarHBondContact O-N 3.41Å | ||
| 172 | A | 98.6 | Very high | 78.8 | Confident | 30 Ų | 30 | 74 Ų | 74 | 25% | 0.248 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 141.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | N195 L196 G293 F294 | A172-N195 CarbonylContact O-C 3.49Å; A172-L196 PolarHBondContact N-O 3.46Å; A172-L196 PolarHBondContact O-N 2.78Å; A172-G293 CarbonylContact C-O 3.54Å; A172-G293 WeakPolarHBondContact CA-O 3.29Å; A172-F294 HydrophobicContact CB-CB 3.8Å |
| 173 | F | 98.9 | Very high | 79.8 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 151.7 | 172.4 | 75.7 | -79.6 | 0 | 0 | 0 | 111.7 | V175 T194 Y200 F207 F217 F291 S292 G293 | F173-V175 HydrophobicContact CD2-CG1 4.23Å; F173-V175 HydrophobicContact CD2-CG2 4.14Å; F173-V175 HydrophobicContact CE2-CG2 4.21Å; F173-T194 CarbonylContact C-O 3.52Å; F173-T194 WeakPolarHBondContact CA-O 3.42Å; F173-T194 WeakPolarHBondContact CB-O 3.43Å; F173-Y200 AromaticContact CD2-CD2 3.87Å; F173-Y200 HydrophobicContact CD2-CD2 3.87Å; F173-Y200 AromaticContact CD2-CG 3.95Å; F173-Y200 HydrophobicContact CD2-CG 3.95Å; F173-Y200 AromaticContact CE2-CD2 3.85Å; F173-Y200 HydrophobicContact CE2-CD2 3.85Å; F173-Y200 HydrophobicContact CE2-CE2 4.4Å; F173-Y200 HydrophobicContact CE2-CG 4.4Å; F173-Y200 HydrophobicContact CG-CG 4.39Å; F173-F207 AromaticContact CD1-CD2 3.53Å; F173-F207 HydrophobicContact CD1-CD2 3.53Å; F173-F207 AromaticContact CD1-CE2 3.99Å; F173-F207 HydrophobicContact CD1-CE2 3.99Å; F173-F207 HydrophobicContact CD1-CG 4.45Å; F173-F207 HydrophobicContact CE1-CB 4.11Å; F173-F207 AromaticContact CE1-CD2 3.49Å; F173-F207 HydrophobicContact CE1-CD2 3.49Å; F173-F207 VanDerWaalsContact CE1-CD2 3.49Å; F173-F207 HydrophobicContact CE1-CE2 4.16Å; F173-F207 AromaticContact CE1-CG 3.99Å; F173-F207 HydrophobicContact CE1-CG 3.99Å; F173-F207 HydrophobicContact CG-CD2 4.49Å; F173-F207 HydrophobicContact CZ-CB 4.3Å; F173-F207 HydrophobicContact CZ-CD2 4.43Å; F173-F217 HydrophobicContact CE1-CD1 4.07Å; F173-F217 AromaticContact CE1-CE1 3.83Å; F173-F217 HydrophobicContact CE1-CE1 3.83Å; F173-F217 HydrophobicContact CZ-CD1 4.11Å; F173-F217 HydrophobicContact CZ-CE1 4.21Å; F173-F291 HydrophobicContact CE2-CB 4.49Å; F173-F291 AromaticContact CE2-CD1 3.56Å; F173-F291 HydrophobicContact CE2-CD1 3.56Å; F173-F291 HydrophobicContact CE2-CD2 4.37Å; F173-F291 AromaticContact CE2-CE1 3.77Å; F173-F291 HydrophobicContact CE2-CE1 3.77Å; F173-F291 AromaticContact CE2-CG 3.87Å; F173-F291 HydrophobicContact CE2-CG 3.87Å; F173-F291 HydrophobicContact CE2-CZ 4.26Å; F173-F291 AromaticContact CZ-CD1 3.85Å; F173-F291 HydrophobicContact CZ-CD1 3.85Å; F173-F291 HydrophobicContact CZ-CD2 4.28Å; F173-F291 AromaticContact CZ-CE1 3.58Å; F173-F291 HydrophobicContact CZ-CE1 3.58Å; F173-F291 HydrophobicContact CZ-CE2 4.04Å; F173-F291 HydrophobicContact CZ-CG 4.19Å; F173-F291 AromaticContact CZ-CZ 3.68Å; F173-F291 HydrophobicContact CZ-CZ 3.68Å; F173-S292 VanDerWaalsContact O-CA 3.26Å; F173-S292 WeakPolarHBondContact O-CA 3.48Å; F173-S292 WeakPolarHBondContact O-CB 3.32Å; F173-G293 WeakPolarHBondContact CD1-O 3.4Å; F173-G293 VanDerWaalsContact CE1-CA 3.49Å; F173-G293 VanDerWaalsContact CE1-N 3.29Å; F173-G293 PolarHBondContact N-O 3.41Å; F173-G293 PolarHBondContact O-N 3.14Å; F173-G293 VanDerWaalsContact O-N 3.11Å |
| 174 | Y | 98.9 | Very high | 81.4 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 31% | 0.314 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 122.7 | 170.6 | 173.7 | -126.4 | 0 | 0 | 0 | 108.5 | I193 T194 T290 | Y174-I193 HydrophobicContact CD1-CB 3.73Å; Y174-I193 HydrophobicContact CD1-CD1 3.94Å; Y174-I193 HydrophobicContact CD1-CG1 4.21Å; Y174-I193 HydrophobicContact CD1-CG2 3.87Å; Y174-I193 HydrophobicContact CE1-CB 4.25Å; Y174-I193 HydrophobicContact CE1-CD1 3.88Å; Y174-I193 HydrophobicContact CE1-CG1 4.27Å; Y174-I193 HydrophobicContact CE1-CG2 4.32Å; Y174-I193 PolarHBondContact O-N 2.8Å; Y174-T194 PolarHBondContact N-O 2.83Å; Y174-T194 PolarHBondContact O-N 3.34Å; Y174-T290 HydrophobicContact CE2-CG2 3.8Å; Y174-T290 WeakPolarHBondContact OH-CG2 3.22Å |
| 175 | V | 98.8 | Very high | 83 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 143.1 | -174 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | F173 F189 D191 V192 Y200 T290 F291 | F173-V175 HydrophobicContact CD2-CG1 4.23Å; F173-V175 HydrophobicContact CD2-CG2 4.14Å; F173-V175 HydrophobicContact CE2-CG2 4.21Å; V175-F189 HydrophobicContact CB-CB 3.81Å; V175-F189 HydrophobicContact CG2-CB 3.38Å; V175-F189 HydrophobicContact CG2-CD2 4.32Å; V175-F189 HydrophobicContact CG2-CG 3.88Å; V175-D191 CarbonylContact C-O 3.48Å; V175-D191 VanDerWaalsContact CA-O 3.28Å; V175-D191 WeakPolarHBondContact CA-O 3.18Å; V175-V192 HydrophobicContact CG1-CB 4.33Å; V175-V192 HydrophobicContact CG1-CG1 4.31Å; V175-V192 HydrophobicContact CG1-CG2 4.01Å; V175-Y200 HydrophobicContact CB-CE1 4.19Å; V175-Y200 HydrophobicContact CG1-CD1 3.61Å; V175-Y200 HydrophobicContact CG1-CE1 3.59Å; V175-Y200 HydrophobicContact CG1-CG 4.22Å; V175-Y200 HydrophobicContact CG2-CE1 4.11Å; V175-Y200 HydrophobicContact CG2-CE2 4.12Å; V175-T290 VanDerWaalsContact O-CA 3.24Å; V175-T290 WeakPolarHBondContact O-CA 3.48Å; V175-F291 HydrophobicContact CG2-CB 3.93Å; V175-F291 VanDerWaalsContact CG2-O 3.29Å; V175-F291 WeakPolarHBondContact CG2-O 3.39Å; V175-F291 PolarHBondContact N-O 3.01Å; V175-F291 PolarHBondContact O-N 2.85Å |
| 176 | G | 98.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F189 D190 D191 N286 S289 | G176-F189 CarbonylContact O-C 3.23Å; G176-F189 WeakPolarHBondContact O-CA 3.42Å; G176-F189 VanDerWaalsContact O-CB 3.3Å; G176-F189 WeakPolarHBondContact O-CB 3.3Å; G176-D190 PolarHBondContact O-N 3.32Å; G176-D191 PolarHBondContact N-O 2.74Å; G176-D191 WeakPolarHBondContact O-CB 3.28Å; G176-D191 PolarHBondContact O-N 3.3Å; G176-N286 WeakPolarHBondContact CA-O 3.38Å; G176-S289 CarbonylContact C-O 3.41Å; G176-S289 WeakPolarHBondContact CA-O 3.01Å |
| 177 | L | 97.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -112.9 | 121.7 | -179.7 | -173.2 | 68.4 | 0 | 0 | 0 | 109.5 | N179 L187 K188 F189 A280 G282 N286 S289 | L177-N179 WeakPolarHBondContact CD1-O 3.45Å; L177-N179 WeakPolarHBondContact CG-O 3.31Å; L177-L187 HydrophobicContact CD1-CD1 3.85Å; L177-L187 HydrophobicContact CD2-CD1 4.11Å; L177-K188 WeakPolarHBondContact CD1-O 3.48Å; L177-F189 HydrophobicContact CB-CD1 4.09Å; L177-A280 HydrophobicContact CD2-CB 3.72Å; L177-G282 WeakPolarHBondContact O-CA 3.41Å; L177-N286 PolarHBondContact N-O 3.4Å; L177-N286 VanDerWaalsContact N-O 3.15Å; L177-N286 WeakPolarHBondContact O-CA 3.04Å; L177-N286 VanDerWaalsContact O-CB 3.22Å; L177-N286 WeakPolarHBondContact O-CB 3.29Å; L177-S289 PolarHBondContact N-O 3.47Å; L177-S289 VanDerWaalsContact N-O 3.14Å | ||
| 178 | K | 95.1 | Very high | 89.8 | Confident | 89 Ų | 89 | 59 Ų | 59 | 39% | 0.387 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -88.6 | -54.1 | 172.6 | -52.8 | -172.2 | 167.8 | 121.3 | 0 | 110.7 | D190 D191 N286 | K178-D190 WeakPolarHBondContact CA-OD1 3.38Å; K178-D190 WeakPolarHBondContact CB-OD1 3.34Å; K178-D190 PolarHBondContact N-OD1 3.04Å; K178-D190 PolarHBondContact NZ-O 2.98Å; K178-D191 HydrophobicContact CD-CB 4.34Å; K178-D191 WeakPolarHBondContact CE-OD1 3.27Å; K178-D191 HydrophobicContact CG-CB 3.67Å; K178-D191 IonicContact NZ-OD1 2.74Å; K178-D191 PolarHBondContact NZ-OD1 2.85Å; K178-N286 HydrophobicContact CG-CB 4.24Å |
| 179 | N | 89.3 | Confident | 91.1 | Very high | 103 Ų | 103 | 57 Ų | 57 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -94.1 | 125.1 | -173.6 | -68 | -60.5 | 0 | 0 | 0 | 109.8 | L177 H181 D190 | L177-N179 WeakPolarHBondContact CD1-O 3.45Å; L177-N179 WeakPolarHBondContact CG-O 3.31Å; N179-H181 PolarHBondContact O-N 2.93Å; N179-D190 PolarHBondContact ND2-OD2 2.83Å |
| 180 | P | 87.1 | Confident | 91.7 | Very high | 66 Ų | 66 | 52 Ų | 52 | 43% | 0.429 | 25% | 0.253 | S | S | . | . | trans | -56.5 | 135.9 | 172.9 | -24 | 33.9 | 0 | 0 | 0 | 110.8 | K279 A280 | P180-K279 HydrophobicContact CB-CD 4.35Å; P180-K279 HydrophobicContact CB-CG 4.48Å; P180-A280 VanDerWaalsContact CA-O 3.27Å; P180-A280 WeakPolarHBondContact CA-O 3.48Å | ||
| 181 | H | 83.9 | Confident | 91.9 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -120.5 | 133.4 | -172.7 | -153.2 | -82.3 | 0 | 0 | 0 | 109.6 | N179 E185 V186 L187 K279 A280 | N179-H181 PolarHBondContact O-N 2.93Å; H181-E185 IonicContact CE1-OE1 3.51Å; H181-E185 PolarHBondContact CE1-OE1 2.7Å; H181-E185 IonicContact ND1-OE1 3.82Å; H181-E185 IonicContact NE2-OE1 3.58Å; H181-V186 PolarHBondContact CE1-O 3.3Å; H181-L187 HydrophobicContact CB-CD1 3.35Å; H181-K279 WeakPolarHBondContact O-CA 3.41Å; H181-K279 WeakPolarHBondContact O-CG 3.39Å; H181-A280 PolarHBondContact N-O 3.44Å; H181-A280 PolarHBondContact O-N 3.02Å |
| 182 | E | 76.9 | Confident | 91.9 | Very high | 116 Ų | 116 | 48.8 Ų | 48.8 | 54% | 0.542 | 25% | 0.247 | S | C | . | . | trans | -118.1 | 160.1 | 178.5 | -68.1 | -178.9 | -162.9 | 0 | 0 | 110 | K279 | E182-K279 HydrophobicContact CG-CB 3.85Å; E182-K279 HydrophobicContact CG-CD 3.52Å; E182-K279 HydrophobicContact CG-CG 3.49Å; E182-K279 VanDerWaalsContact CG-CG 3.49Å; E182-K279 WeakPolarHBondContact OE1-CD 3.3Å; E182-K279 WeakPolarHBondContact OE1-CE 3.29Å; E182-K279 IonicContact OE1-NZ 2.76Å; E182-K279 PolarHBondContact OE1-NZ 3.27Å | ||
| 183 | G | 69 | Low | 91.9 | Very high | 35 Ų | 35 | 51 Ų | 51 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 101.4 | 174.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E185 | G183-E185 PolarHBondContact O-N 3.37Å; G183-E185 VanDerWaalsContact O-N 3.14Å |
| 184 | Y | 74.8 | Confident | 91.9 | Very high | 156 Ų | 156 | 53.7 Ų | 53.7 | 61% | 0.612 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -86.2 | 42.1 | -175.7 | -72.5 | -96 | 0 | 0 | 0 | 112.7 | K274 D276 | Y184-K274 VanDerWaalsContact O-CE 3.29Å; Y184-K274 WeakPolarHBondContact O-CE 3.32Å; Y184-D276 HydrophobicContact CD1-CB 4.37Å; Y184-D276 HydrophobicContact CE1-CB 4.16Å; Y184-D276 WeakPolarHBondContact CE1-OD1 3.29Å; Y184-D276 WeakPolarHBondContact CE1-OD2 3.25Å; Y184-D276 PolarHBondContact OH-OD1 2.92Å |
| 185 | E | 83.1 | Confident | 91.9 | Very high | 100 Ų | 100 | 51.5 Ų | 51.5 | 47% | 0.467 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -128.7 | 176.3 | -171.8 | 54.7 | 171.2 | -179.2 | 0 | 0 | 112.1 | H181 G183 L187 L275 | H181-E185 IonicContact CE1-OE1 3.51Å; H181-E185 PolarHBondContact CE1-OE1 2.7Å; H181-E185 IonicContact ND1-OE1 3.82Å; H181-E185 IonicContact NE2-OE1 3.58Å; G183-E185 PolarHBondContact O-N 3.37Å; G183-E185 VanDerWaalsContact O-N 3.14Å; E185-L187 PolarHBondContact O-N 2.69Å; E185-L275 PolarHBondContact O-N 3.33Å |
| 186 | V | 95.8 | Very high | 91.9 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 17% | 0.17 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -62.4 | 127.2 | 177.5 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | H181 K188 T204 K206 Y272 | H181-V186 PolarHBondContact CE1-O 3.3Å; V186-K188 PolarHBondContact O-N 2.94Å; V186-T204 VanDerWaalsContact CG1-O 3.31Å; V186-T204 WeakPolarHBondContact CG1-O 3.14Å; V186-K206 HydrophobicContact CG1-CG 4.33Å; V186-Y272 HydrophobicContact CB-CD2 4.27Å; V186-Y272 HydrophobicContact CG1-CD2 3.89Å; V186-Y272 HydrophobicContact CG1-CG 4.03Å; V186-Y272 HydrophobicContact CG2-CD2 3.63Å; V186-Y272 HydrophobicContact CG2-CE2 3.71Å; V186-Y272 HydrophobicContact CG2-CG 4.24Å |
| 187 | L | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -74.8 | 112.4 | 175 | 178.9 | 55.1 | 0 | 0 | 0 | 109.8 | L177 H181 E185 F189 V221 V273 L275 A280 | L177-L187 HydrophobicContact CD1-CD1 3.85Å; L177-L187 HydrophobicContact CD2-CD1 4.11Å; H181-L187 HydrophobicContact CB-CD1 3.35Å; E185-L187 PolarHBondContact O-N 2.69Å; L187-F189 HydrophobicContact CB-CE2 4.14Å; L187-F189 HydrophobicContact CD2-CE1 3.8Å; L187-F189 HydrophobicContact CD2-CE2 3.73Å; L187-F189 HydrophobicContact CD2-CZ 3.3Å; L187-F189 HydrophobicContact CG-CD2 4.17Å; L187-F189 HydrophobicContact CG-CE1 4.31Å; L187-F189 HydrophobicContact CG-CE2 3.73Å; L187-F189 HydrophobicContact CG-CZ 3.81Å; L187-F189 WeakPolarHBondContact O-CD2 3.43Å; L187-F189 PolarHBondContact O-N 3.44Å; L187-V221 HydrophobicContact CD2-CG1 3.93Å; L187-V221 HydrophobicContact CD2-CG2 3.98Å; L187-V273 HydrophobicContact CB-CB 4.46Å; L187-V273 PolarHBondContact N-O 3.5Å; L187-L275 HydrophobicContact CB-CD1 4.38Å; L187-L275 HydrophobicContact CB-CG 4.17Å; L187-L275 HydrophobicContact CD1-CD1 4.07Å; L187-L275 HydrophobicContact CD2-CD1 4.2Å; L187-L275 HydrophobicContact CD2-CD2 4.04Å; L187-L275 HydrophobicContact CD2-CG 4.33Å; L187-L275 HydrophobicContact CG-CD1 4.45Å; L187-A280 HydrophobicContact CD1-CB 3.92Å; L187-A280 HydrophobicContact CD2-CB 3.87Å | ||
| 188 | K | 96.8 | Very high | 91.7 | Very high | 79 Ų | 79 | 63.3 Ų | 63.3 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | trans | -88.1 | 94.5 | 180 | -60.5 | 176.2 | -175.3 | -179.5 | 0 | 110.9 | L177 V186 D190 S203 | L177-K188 WeakPolarHBondContact CD1-O 3.48Å; V186-K188 PolarHBondContact O-N 2.94Å; K188-D190 PolarHBondContact O-N 3.18Å; K188-S203 WeakPolarHBondContact CD-O 3.29Å; K188-S203 WeakPolarHBondContact CE-O 3.46Å; K188-S203 PolarHBondContact NZ-O 3.15Å | ||
| 189 | F | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -71.6 | 112.1 | 169.8 | -57.6 | -95 | 0 | 0 | 0 | 109 | V175 G176 L177 L187 Y200 V221 V273 F291 | V175-F189 HydrophobicContact CB-CB 3.81Å; V175-F189 HydrophobicContact CG2-CB 3.38Å; V175-F189 HydrophobicContact CG2-CD2 4.32Å; V175-F189 HydrophobicContact CG2-CG 3.88Å; G176-F189 CarbonylContact O-C 3.23Å; G176-F189 WeakPolarHBondContact O-CA 3.42Å; G176-F189 VanDerWaalsContact O-CB 3.3Å; G176-F189 WeakPolarHBondContact O-CB 3.3Å; L177-F189 HydrophobicContact CB-CD1 4.09Å; L187-F189 HydrophobicContact CB-CE2 4.14Å; L187-F189 HydrophobicContact CD2-CE1 3.8Å; L187-F189 HydrophobicContact CD2-CE2 3.73Å; L187-F189 HydrophobicContact CD2-CZ 3.3Å; L187-F189 HydrophobicContact CG-CD2 4.17Å; L187-F189 HydrophobicContact CG-CE1 4.31Å; L187-F189 HydrophobicContact CG-CE2 3.73Å; L187-F189 HydrophobicContact CG-CZ 3.81Å; L187-F189 WeakPolarHBondContact O-CD2 3.43Å; L187-F189 PolarHBondContact O-N 3.44Å; F189-Y200 WeakPolarHBondContact CA-OH 3.33Å; F189-Y200 VanDerWaalsContact CB-OH 3.31Å; F189-Y200 WeakPolarHBondContact CB-OH 3.42Å; F189-Y200 PolarHBondContact N-OH 2.83Å; F189-Y200 VanDerWaalsContact N-OH 3.16Å; F189-Y200 WeakPolarHBondContact O-CE1 3.45Å; F189-Y200 PolarHBondContact O-OH 3.11Å; F189-V221 HydrophobicContact CZ-CG2 4.2Å; F189-V273 HydrophobicContact CE2-CB 4.06Å; F189-V273 HydrophobicContact CE2-CG2 4.1Å; F189-V273 HydrophobicContact CZ-CG2 4.46Å; F189-F291 HydrophobicContact CD1-CB 4.31Å; F189-F291 HydrophobicContact CD2-CB 3.72Å; F189-F291 HydrophobicContact CD2-CD1 4.21Å; F189-F291 HydrophobicContact CD2-CG 4.41Å; F189-F291 HydrophobicContact CE1-CB 4.1Å; F189-F291 HydrophobicContact CE2-CB 3.47Å; F189-F291 VanDerWaalsContact CE2-CB 3.47Å; F189-F291 HydrophobicContact CE2-CD1 4.17Å; F189-F291 HydrophobicContact CE2-CG 4.11Å; F189-F291 HydrophobicContact CG-CB 4.14Å; F189-F291 HydrophobicContact CZ-CB 3.67Å | ||
| 190 | D | 96.6 | Very high | 92.3 | Very high | 32 Ų | 32 | 55.3 Ų | 55.3 | 17% | 0.171 | 30% | 0.298 | C | S | . | . | trans | -110.6 | 8.7 | -169.4 | 62.4 | -18.4 | 0 | 0 | 0 | 113.5 | G176 K178 N179 K188 | G176-D190 PolarHBondContact O-N 3.32Å; K178-D190 WeakPolarHBondContact CA-OD1 3.38Å; K178-D190 WeakPolarHBondContact CB-OD1 3.34Å; K178-D190 PolarHBondContact N-OD1 3.04Å; K178-D190 PolarHBondContact NZ-O 2.98Å; N179-D190 PolarHBondContact ND2-OD2 2.83Å; K188-D190 PolarHBondContact O-N 3.18Å | ||
| 191 | D | 98 | Very high | 92.9 | Very high | 23 Ų | 23 | 55.2 Ų | 55.2 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 88.8 | 168.1 | -162.7 | 30.5 | 0 | 0 | 0 | 111.1 | V175 G176 K178 I193 N286 K287 | V175-D191 CarbonylContact C-O 3.48Å; V175-D191 VanDerWaalsContact CA-O 3.28Å; V175-D191 WeakPolarHBondContact CA-O 3.18Å; G176-D191 PolarHBondContact N-O 2.74Å; G176-D191 WeakPolarHBondContact O-CB 3.28Å; G176-D191 PolarHBondContact O-N 3.3Å; K178-D191 HydrophobicContact CD-CB 4.34Å; K178-D191 WeakPolarHBondContact CE-OD1 3.27Å; K178-D191 HydrophobicContact CG-CB 3.67Å; K178-D191 IonicContact NZ-OD1 2.74Å; K178-D191 PolarHBondContact NZ-OD1 2.85Å; D191-I193 WeakPolarHBondContact O-CD1 3.41Å; D191-I193 PolarHBondContact O-N 2.82Å; D191-N286 HydrophobicContact CB-CB 4.14Å; D191-N286 WeakPolarHBondContact OD2-CB 3.35Å; D191-K287 IonicContact OD2-NZ 2.64Å; D191-K287 PolarHBondContact OD2-NZ 2.91Å |
| 192 | V | 98.4 | Very high | 93.4 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.2 | -179.8 | -177.5 | 0 | 0 | 0 | 0 | 111 | V175 N195 Y200 Q202 | V175-V192 HydrophobicContact CG1-CB 4.33Å; V175-V192 HydrophobicContact CG1-CG1 4.31Å; V175-V192 HydrophobicContact CG1-CG2 4.01Å; V192-N195 HydrophobicContact CG1-CB 3.72Å; V192-Y200 HydrophobicContact CG2-CD1 4.42Å; V192-Y200 HydrophobicContact CG2-CE1 4.42Å; V192-Q202 HydrophobicContact CG2-CB 3.99Å |
| 193 | I | 98.5 | Very high | 94.3 | Very high | 76 Ų | 76 | 56.8 Ų | 56.8 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -39.5 | 175.8 | -59.2 | 101.5 | 0 | 0 | 0 | 111 | Y174 D191 K287 | Y174-I193 HydrophobicContact CD1-CB 3.73Å; Y174-I193 HydrophobicContact CD1-CD1 3.94Å; Y174-I193 HydrophobicContact CD1-CG1 4.21Å; Y174-I193 HydrophobicContact CD1-CG2 3.87Å; Y174-I193 HydrophobicContact CE1-CB 4.25Å; Y174-I193 HydrophobicContact CE1-CD1 3.88Å; Y174-I193 HydrophobicContact CE1-CG1 4.27Å; Y174-I193 HydrophobicContact CE1-CG2 4.32Å; Y174-I193 PolarHBondContact O-N 2.8Å; D191-I193 WeakPolarHBondContact O-CD1 3.41Å; D191-I193 PolarHBondContact O-N 2.82Å; I193-K287 HydrophobicContact CD1-CD 4.28Å |
| 194 | T | 98.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 57.6 Ų | 57.6 | 39% | 0.387 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 136.9 | 176 | -58.9 | 0 | 0 | 0 | 0 | 109.1 | F173 Y174 | F173-T194 CarbonylContact C-O 3.52Å; F173-T194 WeakPolarHBondContact CA-O 3.42Å; F173-T194 WeakPolarHBondContact CB-O 3.43Å; Y174-T194 PolarHBondContact N-O 2.83Å; Y174-T194 PolarHBondContact O-N 3.34Å |
| 195 | N | 98.3 | Very high | 96.7 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 56.8 | 175.8 | -163.5 | 8.2 | 0 | 0 | 0 | 110.9 | A172 V192 G197 N198 H199 Y200 | A172-N195 CarbonylContact O-C 3.49Å; V192-N195 HydrophobicContact CG1-CB 3.72Å; N195-G197 PolarHBondContact O-N 2.8Å; N195-N198 PolarHBondContact O-N 2.82Å; N195-N198 PolarHBondContact O-OD1 3.22Å; N195-N198 WeakPolarHBondContact OD1-CA 3.3Å; N195-H199 PolarHBondContact OD1-N 2.8Å; N195-Y200 PolarHBondContact ND2-O 3.5Å; N195-Y200 PolarHBondContact OD1-N 2.84Å |
| 196 | L | 98.1 | Very high | 97.5 | Very high | 81 Ų | 81 | 47.3 Ų | 47.3 | 42% | 0.424 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 124.1 | 178.5 | -172.6 | 64.9 | 0 | 0 | 0 | 109.7 | R170 I171 A172 N198 | R170-L196 HydrophobicContact CB-CD2 3.62Å; R170-L196 HydrophobicContact CB-CG 4.27Å; R170-L196 WeakPolarHBondContact O-CG 3.35Å; I171-L196 WeakPolarHBondContact CA-O 3.23Å; A172-L196 PolarHBondContact N-O 3.46Å; A172-L196 PolarHBondContact O-N 2.78Å; L196-N198 VanDerWaalsContact C-N 3.34Å |
| 197 | G | 95.8 | Very high | 97.6 | Very high | 40 Ų | 40 | 46 Ų | 46 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -17.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N195 H199 | N195-G197 PolarHBondContact O-N 2.8Å; G197-H199 PolarHBondContact O-CD2 3.3Å |
| 198 | N | 97.4 | Very high | 97.7 | Very high | 128 Ų | 128 | 47.7 Ų | 47.7 | 68% | 0.684 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 59 | 40 | -177.1 | -57.6 | -55.6 | 0 | 0 | 0 | 114.2 | N195 L196 | N195-N198 PolarHBondContact O-N 2.82Å; N195-N198 PolarHBondContact O-OD1 3.22Å; N195-N198 WeakPolarHBondContact OD1-CA 3.3Å; L196-N198 VanDerWaalsContact C-N 3.34Å |
| 199 | H | 98.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 44 Ų | 44 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | trans | -88.8 | -18.4 | 179.1 | -74.8 | -144.3 | 0 | 0 | 0 | 113 | I171 N195 G197 F207 T208 H210 | I171-H199 VanDerWaalsContact CD1-CE1 3.46Å; I171-H199 WeakPolarHBondContact CD1-CE1 3.2Å; I171-H199 HydrophobicContact CG2-CB 4.26Å; N195-H199 PolarHBondContact OD1-N 2.8Å; G197-H199 PolarHBondContact O-CD2 3.3Å; H199-F207 HydrophobicContact CB-CD2 3.71Å; H199-F207 HydrophobicContact CB-CE2 3.3Å; H199-F207 HydrophobicContact CB-CZ 3.85Å; H199-F207 AromaticContact ND1-CZ 3.83Å; H199-F207 CarbonylContact O-C 3.58Å; H199-F207 WeakPolarHBondContact O-CA 2.78Å; H199-T208 WeakPolarHBondContact CB-O 3.48Å; H199-T208 PolarHBondContact ND1-O 2.91Å; H199-T208 PolarHBondContact O-N 3.04Å; H199-H210 AromaticContact CD2-ND1 3.52Å; H199-H210 AromaticContact CE1-CG 3.82Å; H199-H210 AromaticContact CE1-ND1 3.56Å; H199-H210 AromaticContact CG-ND1 3.85Å; H199-H210 AromaticContact ND1-ND1 3.84Å; H199-H210 AromaticContact NE2-CG 3.97Å; H199-H210 AromaticContact NE2-ND1 3.35Å; H199-H210 PolarHBondContact NE2-ND1 3.38Å | ||
| 200 | Y | 98.8 | Very high | 97.7 | Very high | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.027 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131.8 | 172.1 | -179.2 | -93 | 0 | 0 | 0 | 110.8 | F173 V175 F189 V192 N195 Q202 G205 K206 F291 | F173-Y200 AromaticContact CD2-CD2 3.87Å; F173-Y200 HydrophobicContact CD2-CD2 3.87Å; F173-Y200 AromaticContact CD2-CG 3.95Å; F173-Y200 HydrophobicContact CD2-CG 3.95Å; F173-Y200 AromaticContact CE2-CD2 3.85Å; F173-Y200 HydrophobicContact CE2-CD2 3.85Å; F173-Y200 HydrophobicContact CE2-CE2 4.4Å; F173-Y200 HydrophobicContact CE2-CG 4.4Å; F173-Y200 HydrophobicContact CG-CG 4.39Å; V175-Y200 HydrophobicContact CB-CE1 4.19Å; V175-Y200 HydrophobicContact CG1-CD1 3.61Å; V175-Y200 HydrophobicContact CG1-CE1 3.59Å; V175-Y200 HydrophobicContact CG1-CG 4.22Å; V175-Y200 HydrophobicContact CG2-CE1 4.11Å; V175-Y200 HydrophobicContact CG2-CE2 4.12Å; F189-Y200 WeakPolarHBondContact CA-OH 3.33Å; F189-Y200 VanDerWaalsContact CB-OH 3.31Å; F189-Y200 WeakPolarHBondContact CB-OH 3.42Å; F189-Y200 PolarHBondContact N-OH 2.83Å; F189-Y200 VanDerWaalsContact N-OH 3.16Å; F189-Y200 WeakPolarHBondContact O-CE1 3.45Å; F189-Y200 PolarHBondContact O-OH 3.11Å; V192-Y200 HydrophobicContact CG2-CD1 4.42Å; V192-Y200 HydrophobicContact CG2-CE1 4.42Å; N195-Y200 PolarHBondContact ND2-O 3.5Å; N195-Y200 PolarHBondContact OD1-N 2.84Å; Y200-Q202 HydrophobicContact CE1-CB 4.08Å; Y200-G205 WeakPolarHBondContact OH-CA 3.43Å; Y200-K206 WeakPolarHBondContact CA-O 3.27Å; Y200-F291 HydrophobicContact CE2-CD1 4.19Å |
| 201 | D | 98.4 | Very high | 97.8 | Very high | 63 Ų | 63 | 48.7 Ų | 48.7 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 111.8 | 175.3 | 172.7 | 12.2 | 0 | 0 | 0 | 110.8 | S203 T204 G205 K206 | D201-S203 VanDerWaalsContact CG-OG 3.25Å; D201-S203 PolarHBondContact O-N 3.36Å; D201-S203 WeakPolarHBondContact OD1-CB 3.14Å; D201-S203 PolarHBondContact OD1-N 3.36Å; D201-S203 PolarHBondContact OD1-OG 3.02Å; D201-S203 PolarHBondContact OD2-OG 3.41Å; D201-S203 VanDerWaalsContact OD2-OG 3.05Å; D201-T204 WeakPolarHBondContact CB-OG1 3.25Å; D201-T204 PolarHBondContact O-N 3.34Å; D201-T204 PolarHBondContact O-OG1 3.11Å; D201-T204 VanDerWaalsContact OD2-CG2 3.23Å; D201-T204 WeakPolarHBondContact OD2-CG2 3.36Å; D201-T204 PolarHBondContact OD2-OG1 2.97Å; D201-G205 PolarHBondContact O-N 2.89Å; D201-K206 PolarHBondContact N-O 2.82Å; D201-K206 PolarHBondContact O-N 2.64Å |
| 202 | Q | 96.4 | Very high | 97.8 | Very high | 101 Ų | 101 | 49.4 Ų | 49.4 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.9 | -179.7 | 68.5 | 178.7 | 30.1 | 0 | 0 | 113.9 | V192 Y200 | V192-Q202 HydrophobicContact CG2-CB 3.99Å; Y200-Q202 HydrophobicContact CE1-CB 4.08Å |
| 203 | S | 95.6 | Very high | 97.7 | Very high | 77 Ų | 77 | 46.9 Ų | 46.9 | 54% | 0.538 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -28.1 | -179.2 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | K188 D201 | K188-S203 WeakPolarHBondContact CD-O 3.29Å; K188-S203 WeakPolarHBondContact CE-O 3.46Å; K188-S203 PolarHBondContact NZ-O 3.15Å; D201-S203 VanDerWaalsContact CG-OG 3.25Å; D201-S203 PolarHBondContact O-N 3.36Å; D201-S203 WeakPolarHBondContact OD1-CB 3.14Å; D201-S203 PolarHBondContact OD1-N 3.36Å; D201-S203 PolarHBondContact OD1-OG 3.02Å; D201-S203 PolarHBondContact OD2-OG 3.41Å; D201-S203 VanDerWaalsContact OD2-OG 3.05Å |
| 204 | T | 96.6 | Very high | 97.7 | Very high | 52 Ų | 52 | 45.7 Ų | 45.7 | 32% | 0.319 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -23.7 | 179.7 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | V186 D201 K206 | V186-T204 VanDerWaalsContact CG1-O 3.31Å; V186-T204 WeakPolarHBondContact CG1-O 3.14Å; D201-T204 WeakPolarHBondContact CB-OG1 3.25Å; D201-T204 PolarHBondContact O-N 3.34Å; D201-T204 PolarHBondContact O-OG1 3.11Å; D201-T204 VanDerWaalsContact OD2-CG2 3.23Å; D201-T204 WeakPolarHBondContact OD2-CG2 3.36Å; D201-T204 PolarHBondContact OD2-OG1 2.97Å; T204-K206 VanDerWaalsContact C-N 3.34Å |
| 205 | G | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 15.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y200 D201 | Y200-G205 WeakPolarHBondContact OH-CA 3.43Å; D201-G205 PolarHBondContact O-N 2.89Å |
| 206 | K | 98.6 | Very high | 97.8 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 144.2 | -169.6 | -55.3 | -174.5 | -177.6 | 179.2 | 0 | 112 | V186 Y200 D201 T204 E270 Y272 | V186-K206 HydrophobicContact CG1-CG 4.33Å; Y200-K206 WeakPolarHBondContact CA-O 3.27Å; D201-K206 PolarHBondContact N-O 2.82Å; D201-K206 PolarHBondContact O-N 2.64Å; T204-K206 VanDerWaalsContact C-N 3.34Å; K206-E270 HydrophobicContact CD-CB 4.27Å; K206-E270 HydrophobicContact CD-CG 4.27Å; K206-E270 VanDerWaalsContact CD-OE1 3.29Å; K206-E270 WeakPolarHBondContact CD-OE1 3.46Å; K206-E270 IonicContact NZ-OE1 3.15Å; K206-E270 PolarHBondContact NZ-OE1 2.99Å; K206-E270 IonicContact NZ-OE2 3.88Å; K206-E270 PolarHBondContact NZ-OE2 3.49Å; K206-Y272 HydrophobicContact CD-CD1 4.12Å; K206-Y272 HydrophobicContact CG-CD1 4.02Å; K206-Y272 HydrophobicContact CG-CG 4.22Å |
| 207 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.3 | 160.1 | 174.6 | -87.5 | 0 | 0 | 0 | 108.8 | I171 F173 H199 C209 Y215 F217 L265 E270 V271 | I171-F207 HydrophobicContact CG2-CE2 3.75Å; I171-F207 HydrophobicContact CG2-CZ 3.87Å; F173-F207 AromaticContact CD1-CD2 3.53Å; F173-F207 HydrophobicContact CD1-CD2 3.53Å; F173-F207 AromaticContact CD1-CE2 3.99Å; F173-F207 HydrophobicContact CD1-CE2 3.99Å; F173-F207 HydrophobicContact CD1-CG 4.45Å; F173-F207 HydrophobicContact CE1-CB 4.11Å; F173-F207 AromaticContact CE1-CD2 3.49Å; F173-F207 HydrophobicContact CE1-CD2 3.49Å; F173-F207 VanDerWaalsContact CE1-CD2 3.49Å; F173-F207 HydrophobicContact CE1-CE2 4.16Å; F173-F207 AromaticContact CE1-CG 3.99Å; F173-F207 HydrophobicContact CE1-CG 3.99Å; F173-F207 HydrophobicContact CG-CD2 4.49Å; F173-F207 HydrophobicContact CZ-CB 4.3Å; F173-F207 HydrophobicContact CZ-CD2 4.43Å; H199-F207 HydrophobicContact CB-CD2 3.71Å; H199-F207 HydrophobicContact CB-CE2 3.3Å; H199-F207 HydrophobicContact CB-CZ 3.85Å; H199-F207 AromaticContact ND1-CZ 3.83Å; H199-F207 CarbonylContact O-C 3.58Å; H199-F207 WeakPolarHBondContact O-CA 2.78Å; F207-C209 HydrophobicContact CE1-CB 4.32Å; F207-Y215 HydrophobicContact CE1-CD1 4.22Å; F207-Y215 HydrophobicContact CE1-CE1 4.09Å; F207-Y215 AromaticContact CZ-CD1 3.94Å; F207-Y215 HydrophobicContact CZ-CD1 3.94Å; F207-Y215 AromaticContact CZ-CE1 3.6Å; F207-Y215 HydrophobicContact CZ-CE1 3.6Å; F207-F217 HydrophobicContact CB-CE1 4.36Å; F207-F217 AromaticContact CD1-CE1 3.93Å; F207-F217 HydrophobicContact CD1-CE1 3.93Å; F207-F217 AromaticContact CD1-CZ 3.85Å; F207-F217 HydrophobicContact CD1-CZ 3.85Å; F207-F217 HydrophobicContact CE1-CE1 4.38Å; F207-F217 HydrophobicContact CE1-CZ 4.01Å; F207-F217 HydrophobicContact CG-CE1 4.02Å; F207-F217 HydrophobicContact CG-CZ 4.41Å; F207-L265 HydrophobicContact CD1-CD1 4.31Å; F207-L265 HydrophobicContact CE1-CD1 3.92Å; F207-E270 CarbonylContact O-C 3.53Å; F207-E270 WeakPolarHBondContact O-CA 3.48Å; F207-V271 HydrophobicContact CB-CB 4.49Å; F207-V271 HydrophobicContact CD1-CB 4.49Å; F207-V271 PolarHBondContact N-O 2.98Å; F207-V271 PolarHBondContact O-N 3.41Å |
| 208 | T | 98.8 | Very high | 98 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 22% | 0.221 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.9 | 174.9 | -55.3 | 0 | 0 | 0 | 0 | 109.7 | H199 | H199-T208 WeakPolarHBondContact CB-O 3.48Å; H199-T208 PolarHBondContact ND1-O 2.91Å; H199-T208 PolarHBondContact O-N 3.04Å |
| 209 | C | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -70.7 | 129.4 | 176.5 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | F207 V211 L265 D266 G268 D269 | F207-C209 HydrophobicContact CE1-CB 4.32Å; C209-V211 PolarHBondContact SG-O 2.86Å; C209-L265 HydrophobicContact CB-CB 4.01Å; C209-L265 HydrophobicContact CB-CD1 4.14Å; C209-D266 VanDerWaalsContact CB-O 3.28Å; C209-D266 WeakPolarHBondContact CB-O 3.32Å; C209-D266 PolarHBondContact SG-O 2.84Å; C209-D266 VanDerWaalsContact SG-O 3.34Å; C209-G268 PolarHBondContact O-N 2.54Å; C209-D269 HydrophobicContact CB-CB 4.23Å; C209-D269 WeakPolarHBondContact CB-O 3.37Å; C209-D269 PolarHBondContact N-O 3.46Å | ||
| 210 | H | 96.8 | Very high | 98.1 | Very high | 107 Ų | 107 | 35.9 Ų | 35.9 | 50% | 0.495 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -117.7 | -2.5 | 169.1 | -54.5 | 133.9 | 0 | 0 | 0 | 112.8 | H199 | H199-H210 AromaticContact CD2-ND1 3.52Å; H199-H210 AromaticContact CE1-CG 3.82Å; H199-H210 AromaticContact CE1-ND1 3.56Å; H199-H210 AromaticContact CG-ND1 3.85Å; H199-H210 AromaticContact ND1-ND1 3.84Å; H199-H210 AromaticContact NE2-CG 3.97Å; H199-H210 AromaticContact NE2-ND1 3.35Å; H199-H210 PolarHBondContact NE2-ND1 3.38Å |
| 211 | V | 97.2 | Very high | 98 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 15% | 0.145 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -137.5 | 112.5 | -178.3 | 179 | 0 | 0 | 0 | 0 | 107.2 | Y169 I171 C209 Y215 I295 P298 | Y169-V211 HydrophobicContact CD1-CB 4.25Å; Y169-V211 HydrophobicContact CD1-CG1 3.69Å; Y169-V211 HydrophobicContact CD1-CG2 3.56Å; Y169-V211 HydrophobicContact CD2-CG1 4.08Å; Y169-V211 HydrophobicContact CE1-CB 4.5Å; Y169-V211 HydrophobicContact CE1-CG1 3.85Å; Y169-V211 HydrophobicContact CE1-CG2 3.77Å; Y169-V211 HydrophobicContact CE2-CG1 4.23Å; Y169-V211 HydrophobicContact CG-CG1 3.79Å; Y169-V211 HydrophobicContact CG-CG2 4.38Å; I171-V211 HydrophobicContact CD1-CB 3.97Å; I171-V211 HydrophobicContact CD1-CG2 3.9Å; C209-V211 PolarHBondContact SG-O 2.86Å; V211-Y215 WeakPolarHBondContact O-CE2 3.34Å; V211-Y215 PolarHBondContact O-OH 3.45Å; V211-I295 HydrophobicContact CG1-CD1 4.25Å; V211-P298 HydrophobicContact CG1-CB 4.2Å |
| 212 | S | 98.2 | Very high | 97.9 | Very high | 38 Ų | 38 | 33.6 Ų | 33.6 | 27% | 0.266 | 18% | 0.179 | S | C | . | . | trans | -60.5 | 141.2 | 178.6 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | L265 D266 S267 D299 | S212-L265 CarbonylContact C-O 3.48Å; S212-L265 WeakPolarHBondContact CA-O 3.41Å; S212-D266 WeakPolarHBondContact OG-CA 3.37Å; S212-S267 PolarHBondContact OG-N 2.88Å; S212-S267 VanDerWaalsContact OG-N 3.1Å; S212-D299 VanDerWaalsContact CB-OD2 3.25Å; S212-D299 WeakPolarHBondContact CB-OD2 3.36Å; S212-D299 PolarHBondContact O-N 3.12Å | ||
| 213 | G | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -173.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y215 H264 L265 Y297 D299 | G213-Y215 WeakPolarHBondContact O-CD2 3.43Å; G213-H264 WeakPolarHBondContact O-CA 3.25Å; G213-L265 PolarHBondContact N-O 2.82Å; G213-L265 PolarHBondContact O-N 2.98Å; G213-Y297 CarbonylContact C-O 3.52Å; G213-Y297 VanDerWaalsContact CA-O 3.26Å; G213-Y297 WeakPolarHBondContact CA-O 3.32Å; G213-D299 WeakPolarHBondContact CA-OD1 3.26Å; G213-D299 PolarHBondContact N-OD2 3.34Å |
| 214 | I | 98.6 | Very high | 97.5 | Very high | 51 Ų | 51 | 29.9 Ų | 29.9 | 26% | 0.262 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 127.1 | 175.9 | -54.4 | -61.6 | 0 | 0 | 0 | 109.7 | V262 H264 L296 Y297 | I214-V262 HydrophobicContact CG2-CG1 3.38Å; I214-H264 HydrophobicContact CD1-CB 3.68Å; I214-L296 HydrophobicContact CG2-CB 4.37Å; I214-L296 HydrophobicContact CG2-CD1 4.01Å; I214-L296 WeakPolarHBondContact O-CB 3.37Å; I214-L296 PolarHBondContact O-N 3.14Å; I214-Y297 HydrophobicContact CB-CD2 4.48Å; I214-Y297 PolarHBondContact N-O 3.34Å; I214-Y297 PolarHBondContact O-N 3.43Å |
| 215 | Y | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 146.1 | -178.5 | -70.4 | -100.1 | 0 | 0 | 0 | 111.2 | I171 F207 V211 G213 F217 V262 L263 L265 F294 I295 | I171-Y215 HydrophobicContact CD1-CE1 4.44Å; I171-Y215 HydrophobicContact CG2-CE1 4.2Å; F207-Y215 HydrophobicContact CE1-CD1 4.22Å; F207-Y215 HydrophobicContact CE1-CE1 4.09Å; F207-Y215 AromaticContact CZ-CD1 3.94Å; F207-Y215 HydrophobicContact CZ-CD1 3.94Å; F207-Y215 AromaticContact CZ-CE1 3.6Å; F207-Y215 HydrophobicContact CZ-CE1 3.6Å; V211-Y215 WeakPolarHBondContact O-CE2 3.34Å; V211-Y215 PolarHBondContact O-OH 3.45Å; G213-Y215 WeakPolarHBondContact O-CD2 3.43Å; Y215-F217 HydrophobicContact CD1-CZ 4.4Å; Y215-F217 HydrophobicContact CG-CE2 4.32Å; Y215-F217 HydrophobicContact CG-CZ 4.29Å; Y215-V262 CarbonylContact O-C 3.58Å; Y215-V262 VanDerWaalsContact O-CA 3.29Å; Y215-V262 WeakPolarHBondContact O-CA 3.38Å; Y215-L263 PolarHBondContact N-O 3.41Å; Y215-L263 PolarHBondContact O-N 3.35Å; Y215-L265 HydrophobicContact CD2-CB 3.93Å; Y215-L265 HydrophobicContact CD2-CD1 3.72Å; Y215-L265 HydrophobicContact CD2-CG 3.86Å; Y215-L265 HydrophobicContact CE2-CB 4.09Å; Y215-L265 HydrophobicContact CE2-CD1 4.22Å; Y215-L265 HydrophobicContact CE2-CG 4.45Å; Y215-L265 HydrophobicContact CG-CD1 3.9Å; Y215-L265 HydrophobicContact CG-CG 4.4Å; Y215-F294 WeakPolarHBondContact CA-O 3.34Å; Y215-I295 HydrophobicContact CD1-CB 3.9Å; Y215-I295 HydrophobicContact CD1-CG1 4.34Å; Y215-I295 HydrophobicContact CE1-CB 3.54Å; Y215-I295 HydrophobicContact CE1-CD1 4.31Å; Y215-I295 HydrophobicContact CE1-CG1 3.93Å; Y215-I295 HydrophobicContact CE2-CD1 4.35Å; Y215-I295 HydrophobicContact CE2-CG1 4.23Å |
| 216 | F | 98.9 | Very high | 96.4 | Very high | 52 Ų | 52 | 29 Ų | 29 | 23% | 0.228 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 139.4 | 167.4 | 175.2 | -98 | 0 | 0 | 0 | 109.9 | T218 V262 G293 F294 L296 | F216-T218 HydrophobicContact CE1-CG2 3.67Å; F216-T218 HydrophobicContact CZ-CG2 4.07Å; F216-V262 HydrophobicContact CD2-CG2 3.96Å; F216-G293 CarbonylContact O-C 3.54Å; F216-G293 WeakPolarHBondContact O-CA 3Å; F216-F294 HydrophobicContact CB-CE1 4.26Å; F216-F294 HydrophobicContact CB-CE2 4.12Å; F216-F294 HydrophobicContact CB-CZ 3.96Å; F216-F294 HydrophobicContact CD1-CD1 4.14Å; F216-F294 AromaticContact CD1-CE1 3.38Å; F216-F294 HydrophobicContact CD1-CE1 3.38Å; F216-F294 AromaticContact CD1-CZ 3.65Å; F216-F294 HydrophobicContact CD1-CZ 3.65Å; F216-F294 HydrophobicContact CE1-CE1 4.1Å; F216-F294 HydrophobicContact CE1-CZ 4.46Å; F216-F294 HydrophobicContact CG-CE1 4.18Å; F216-F294 HydrophobicContact CG-CZ 4.04Å; F216-F294 PolarHBondContact N-O 3Å; F216-F294 PolarHBondContact O-N 3.38Å; F216-L296 HydrophobicContact CB-CD1 4.17Å; F216-L296 HydrophobicContact CB-CG 4.34Å |
| 217 | F | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.2 | 173.3 | -63.2 | -82.7 | 0 | 0 | 0 | 110.4 | F173 F207 Y215 L235 S260 A261 L263 L265 V271 F291 S292 | F173-F217 HydrophobicContact CE1-CD1 4.07Å; F173-F217 AromaticContact CE1-CE1 3.83Å; F173-F217 HydrophobicContact CE1-CE1 3.83Å; F173-F217 HydrophobicContact CZ-CD1 4.11Å; F173-F217 HydrophobicContact CZ-CE1 4.21Å; F207-F217 HydrophobicContact CB-CE1 4.36Å; F207-F217 AromaticContact CD1-CE1 3.93Å; F207-F217 HydrophobicContact CD1-CE1 3.93Å; F207-F217 AromaticContact CD1-CZ 3.85Å; F207-F217 HydrophobicContact CD1-CZ 3.85Å; F207-F217 HydrophobicContact CE1-CE1 4.38Å; F207-F217 HydrophobicContact CE1-CZ 4.01Å; F207-F217 HydrophobicContact CG-CE1 4.02Å; F207-F217 HydrophobicContact CG-CZ 4.41Å; Y215-F217 HydrophobicContact CD1-CZ 4.4Å; Y215-F217 HydrophobicContact CG-CE2 4.32Å; Y215-F217 HydrophobicContact CG-CZ 4.29Å; F217-L235 HydrophobicContact CB-CD1 4.32Å; F217-L235 HydrophobicContact CB-CD2 3.9Å; F217-S260 CarbonylContact O-C 3.59Å; F217-S260 WeakPolarHBondContact O-CA 3.31Å; F217-S260 VanDerWaalsContact O-CB 3.3Å; F217-S260 WeakPolarHBondContact O-CB 3.43Å; F217-A261 PolarHBondContact N-O 3.39Å; F217-A261 PolarHBondContact O-N 3.14Å; F217-L263 HydrophobicContact CD2-CD1 4.18Å; F217-L263 HydrophobicContact CE2-CD1 4.45Å; F217-L265 HydrophobicContact CE2-CD1 3.81Å; F217-L265 HydrophobicContact CZ-CD1 3.68Å; F217-V271 HydrophobicContact CD1-CG1 4.04Å; F217-V271 HydrophobicContact CD2-CG1 4.23Å; F217-V271 HydrophobicContact CE1-CB 4.13Å; F217-V271 HydrophobicContact CE1-CG1 3.99Å; F217-V271 HydrophobicContact CE2-CB 4.44Å; F217-V271 HydrophobicContact CE2-CG1 4.19Å; F217-V271 HydrophobicContact CE2-CG2 4.07Å; F217-V271 HydrophobicContact CG-CG1 4.16Å; F217-V271 HydrophobicContact CZ-CB 4.03Å; F217-V271 HydrophobicContact CZ-CG1 4.08Å; F217-V271 HydrophobicContact CZ-CG2 3.93Å; F217-F291 HydrophobicContact CB-CE2 4.19Å; F217-F291 AromaticContact CD1-CE2 3.97Å; F217-F291 HydrophobicContact CD1-CE2 3.97Å; F217-F291 AromaticContact CD1-CZ 3.88Å; F217-F291 HydrophobicContact CD1-CZ 3.88Å; F217-S292 WeakPolarHBondContact CA-O 3.24Å |
| 218 | T | 98.9 | Very high | 94.8 | Very high | 23 Ų | 23 | 34.1 Ų | 34.1 | 14% | 0.141 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 142.9 | 168.3 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | F216 N259 F291 S292 | F216-T218 HydrophobicContact CE1-CG2 3.67Å; F216-T218 HydrophobicContact CZ-CG2 4.07Å; T218-N259 WeakPolarHBondContact CA-O 3.49Å; T218-N259 PolarHBondContact OG1-O 3.11Å; T218-N259 VanDerWaalsContact OG1-O 3.11Å; T218-F291 WeakPolarHBondContact O-CD2 3.31Å; T218-S292 WeakPolarHBondContact CG2-OG 3.46Å; T218-S292 PolarHBondContact N-O 3.21Å; T218-S292 PolarHBondContact O-N 3.25Å; T218-S292 PolarHBondContact O-OG 3.1Å |
| 219 | Y | 98.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.8 | 176 | 64.9 | -89.8 | 0 | 0 | 0 | 110.1 | V221 A233 L235 A245 A257 S258 N259 V273 T290 | Y219-V221 HydrophobicContact CD2-CG2 4.04Å; Y219-A233 HydrophobicContact CD2-CB 4.21Å; Y219-A233 HydrophobicContact CE2-CB 3.65Å; Y219-A233 PolarHBondContact OH-O 3.04Å; Y219-L235 HydrophobicContact CD1-CB 4.16Å; Y219-L235 HydrophobicContact CD1-CD1 4.36Å; Y219-L235 HydrophobicContact CE1-CB 3.71Å; Y219-A245 HydrophobicContact CE2-CB 4.25Å; Y219-A245 PolarHBondContact OH-N 3.04Å; Y219-A257 WeakPolarHBondContact CE2-O 3.26Å; Y219-S258 VanDerWaalsContact O-CA 3.29Å; Y219-S258 WeakPolarHBondContact O-CA 3.4Å; Y219-N259 HydrophobicContact CE1-CB 3.7Å; Y219-N259 HydrophobicContact CE2-CB 4.29Å; Y219-N259 VanDerWaalsContact CZ-CB 3.49Å; Y219-N259 PolarHBondContact N-O 3.04Å; Y219-N259 PolarHBondContact O-N 3.28Å; Y219-N259 WeakPolarHBondContact OH-CB 3.38Å; Y219-V273 HydrophobicContact CD1-CG2 4.2Å; Y219-V273 HydrophobicContact CG-CG2 3.98Å; Y219-T290 WeakPolarHBondContact CA-O 3.29Å |
| 220 | H | 98.6 | Very high | 93.9 | Very high | 81 Ų | 81 | 37.3 Ų | 37.3 | 38% | 0.375 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 113.1 | 170.9 | -61.8 | -82.4 | 0 | 0 | 0 | 106.4 | Y256 S258 S289 T290 | H220-Y256 HydrophobicContact CB-CD1 4.05Å; H220-Y256 HydrophobicContact CB-CE1 3.9Å; H220-S258 WeakPolarHBondContact CA-OG 3.17Å; H220-S258 VanDerWaalsContact ND1-CB 3.27Å; H220-S258 WeakPolarHBondContact ND1-CB 3.48Å; H220-S258 PolarHBondContact ND1-OG 3.45Å; H220-S289 CarbonylContact O-C 3.48Å; H220-S289 VanDerWaalsContact O-CA 3.25Å; H220-S289 WeakPolarHBondContact O-CA 3.46Å; H220-T290 PolarHBondContact N-O 2.87Å; H220-T290 PolarHBondContact O-N 2.91Å |
| 221 | V | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 116.4 | -179.5 | -171.8 | 0 | 0 | 0 | 0 | 108.8 | L187 F189 Y219 M223 A233 Y256 A257 V273 L275 A280 | L187-V221 HydrophobicContact CD2-CG1 3.93Å; L187-V221 HydrophobicContact CD2-CG2 3.98Å; F189-V221 HydrophobicContact CZ-CG2 4.2Å; Y219-V221 HydrophobicContact CD2-CG2 4.04Å; V221-M223 HydrophobicContact CB-CG 4.05Å; V221-M223 HydrophobicContact CB-SD 4.47Å; V221-M223 HydrophobicContact CG1-CG 3.46Å; V221-M223 VanDerWaalsContact CG1-CG 3.46Å; V221-M223 HydrophobicContact CG1-SD 4.15Å; V221-M223 PolarHBondContact O-N 2.95Å; V221-A233 HydrophobicContact CB-CB 4.35Å; V221-A233 HydrophobicContact CG2-CB 4.14Å; V221-Y256 WeakPolarHBondContact O-CA 3.17Å; V221-A257 PolarHBondContact N-O 2.85Å; V221-A257 PolarHBondContact O-N 3.41Å; V221-V273 HydrophobicContact CG2-CG1 4.25Å; V221-L275 HydrophobicContact CG1-CD2 4.08Å; V221-A280 HydrophobicContact CG1-CB 3.52Å |
| 222 | L | 96.1 | Very high | 93.5 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 110.8 | 168.4 | 178 | 66.1 | 0 | 0 | 0 | 107.8 | Y254 Y256 A280 H281 Y288 S289 | L222-Y254 HydrophobicContact CD1-CD1 4.05Å; L222-Y254 HydrophobicContact CD1-CG 4.46Å; L222-Y254 HydrophobicContact CD2-CD1 4.16Å; L222-Y254 HydrophobicContact CG-CD1 3.95Å; L222-Y256 HydrophobicContact CB-CE1 4.07Å; L222-Y256 HydrophobicContact CB-CE2 4.34Å; L222-Y256 HydrophobicContact CD1-CD2 4.14Å; L222-Y256 HydrophobicContact CD1-CE2 3.88Å; L222-A280 CarbonylContact O-C 3.58Å; L222-A280 WeakPolarHBondContact O-CA 3.29Å; L222-H281 HydrophobicContact CD2-CB 4.17Å; L222-H281 HydrophobicContact CG-CB 4.35Å; L222-H281 PolarHBondContact O-N 2.94Å; L222-Y288 HydrophobicContact CD2-CD1 3.89Å; L222-Y288 HydrophobicContact CD2-CG 4.03Å; L222-S289 PolarHBondContact N-OG 3.3Å; L222-S289 PolarHBondContact O-OG 3.05Å |
| 223 | M | 93.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 151.9 | -175 | -64 | -173.3 | 72 | 0 | 0 | 111.7 | V221 M231 A233 Y254 D255 A257 L275 K279 | V221-M223 HydrophobicContact CB-CG 4.05Å; V221-M223 HydrophobicContact CB-SD 4.47Å; V221-M223 HydrophobicContact CG1-CG 3.46Å; V221-M223 VanDerWaalsContact CG1-CG 3.46Å; V221-M223 HydrophobicContact CG1-SD 4.15Å; V221-M223 PolarHBondContact O-N 2.95Å; M223-M231 HydrophobicContact CB-CG 4.14Å; M223-M231 HydrophobicContact CB-SD 3.34Å; M223-M231 WeakPolarHBondContact CB-SD 3.27Å; M223-M231 HydrophobicContact CE-CB 4.02Å; M223-M231 HydrophobicContact CE-CG 4.38Å; M223-M231 HydrophobicContact SD-CG 4.31Å; M223-A233 HydrophobicContact SD-CB 4.16Å; M223-Y254 WeakPolarHBondContact O-CA 3.4Å; M223-D255 PolarHBondContact N-O 2.86Å; M223-D255 PolarHBondContact O-N 3.44Å; M223-D255 VanDerWaalsContact O-N 3.11Å; M223-A257 HydrophobicContact SD-CB 3.8Å; M223-L275 HydrophobicContact CE-CB 4.18Å; M223-L275 HydrophobicContact CE-CD1 4.44Å; M223-L275 HydrophobicContact CE-CD2 3.83Å; M223-L275 HydrophobicContact CE-CG 4.36Å; M223-L275 HydrophobicContact SD-CD2 3.97Å; M223-K279 CarbonylContact C-O 3.51Å; M223-K279 VanDerWaalsContact CA-O 3.25Å; M223-K279 WeakPolarHBondContact CA-O 3.45Å |
| 224 | R | 90.9 | Very high | 93.4 | Very high | 101 Ų | 101 | 35.1 Ų | 35.1 | 38% | 0.381 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 115.7 | 167.5 | -176.8 | 177.7 | 176.6 | 162.8 | 1.2 | 108.7 | Y254 G278 K279 | R224-Y254 HydrophobicContact CB-CD1 4.13Å; R224-Y254 HydrophobicContact CB-CE1 3.9Å; R224-G278 WeakPolarHBondContact O-CA 3.18Å; R224-K279 PolarHBondContact N-O 2.94Å; R224-K279 PolarHBondContact O-N 2.83Å |
| 225 | G | 85.6 | Confident | 93.4 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -177.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | M231 Q252 | G225-M231 VanDerWaalsContact N-CE 3.28Å; G225-Q252 VanDerWaalsContact O-CG 3.31Å; G225-Q252 WeakPolarHBondContact O-CG 3.13Å; G225-Q252 PolarHBondContact O-NE2 2.92Å |
| 226 | G | 84.6 | Confident | 93.4 | Very high | 29 Ų | 29 | 32.9 Ų | 32.9 | 30% | 0.299 | 18% | 0.179 | S | C | . | . | trans | -76 | 158.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G228 T229 | G226-G228 PolarHBondContact O-N 2.99Å; G226-T229 WeakPolarHBondContact CA-OG1 3.46Å; G226-T229 PolarHBondContact N-OG1 2.78Å; G226-T229 PolarHBondContact O-N 3.17Å; G226-T229 VanDerWaalsContact O-N 3.11Å; G226-T229 PolarHBondContact O-OG1 2.86Å | ||
| 227 | D | 83.3 | Confident | 93.4 | Very high | 111 Ų | 111 | 32.3 Ų | 32.3 | 59% | 0.594 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 124.3 | 175.3 | -69.9 | -44.7 | 0 | 0 | 0 | 111 | T229 Q252 | D227-T229 PolarHBondContact O-N 2.96Å; D227-T229 VanDerWaalsContact O-N 3.1Å; D227-Q252 WeakPolarHBondContact OD1-CA 3.27Å; D227-Q252 WeakPolarHBondContact OD1-CB 3.44Å; D227-Q252 WeakPolarHBondContact OD1-CG 3.5Å; D227-Q252 PolarHBondContact OD1-N 3.24Å |
| 228 | G | 82 | Confident | 93.3 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 38% | 0.381 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 6.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G226 Q248 D249 A250 | G226-G228 PolarHBondContact O-N 2.99Å; G228-Q248 PolarHBondContact O-NE2 3.3Å; G228-D249 WeakPolarHBondContact CA-O 3.34Å; G228-D249 PolarHBondContact N-O 3.14Å; G228-A250 PolarHBondContact N-O 3.05Å |
| 229 | T | 87.3 | Confident | 93.2 | Very high | 63 Ų | 63 | 37.6 Ų | 37.6 | 39% | 0.387 | 22% | 0.216 | S | C | . | . | trans | -97.6 | 139.5 | 179.3 | 62.6 | 0 | 0 | 0 | 0 | 111.4 | G226 D227 | G226-T229 WeakPolarHBondContact CA-OG1 3.46Å; G226-T229 PolarHBondContact N-OG1 2.78Å; G226-T229 PolarHBondContact O-N 3.17Å; G226-T229 VanDerWaalsContact O-N 3.11Å; G226-T229 PolarHBondContact O-OG1 2.86Å; D227-T229 PolarHBondContact O-N 2.96Å; D227-T229 VanDerWaalsContact O-N 3.1Å | ||
| 230 | S | 90 | Very high | 93.2 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | trans | -74.4 | 143.3 | 172.6 | -41.1 | 0 | 0 | 0 | 0 | 110.6 | A247 Q248 | S230-A247 WeakPolarHBondContact CA-O 3.25Å; S230-Q248 PolarHBondContact OG-OE1 2.88Å | ||
| 231 | M | 91.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147.9 | 172.3 | 68 | -164.8 | 90.5 | 0 | 0 | 110 | M223 G225 I246 A247 D276 | M223-M231 HydrophobicContact CB-CG 4.14Å; M223-M231 HydrophobicContact CB-SD 3.34Å; M223-M231 WeakPolarHBondContact CB-SD 3.27Å; M223-M231 HydrophobicContact CE-CB 4.02Å; M223-M231 HydrophobicContact CE-CG 4.38Å; M223-M231 HydrophobicContact SD-CG 4.31Å; G225-M231 VanDerWaalsContact N-CE 3.28Å; M231-I246 WeakPolarHBondContact O-CA 3.38Å; M231-A247 HydrophobicContact CG-CB 3.95Å; M231-A247 PolarHBondContact N-O 2.8Å; M231-A247 PolarHBondContact O-N 2.9Å; M231-D276 CarbonylContact C-O 3.59Å; M231-D276 WeakPolarHBondContact CA-O 3.24Å |
| 232 | W | 93.3 | Very high | 93.2 | Very high | 95 Ų | 95 | 49.6 Ų | 49.6 | 36% | 0.36 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.2 | -173.9 | -51.7 | 74.4 | 0 | 0 | 0 | 111.4 | S244 A245 I246 L275 D276 | W232-S244 VanDerWaalsContact CE3-OG 3.3Å; W232-A245 VanDerWaalsContact CA-O 3.27Å; W232-A245 WeakPolarHBondContact CA-O 3.4Å; W232-I246 HydrophobicContact CD2-CB 3.95Å; W232-I246 HydrophobicContact CD2-CD1 4.31Å; W232-I246 HydrophobicContact CD2-CG1 3.82Å; W232-I246 HydrophobicContact CE3-CB 3.66Å; W232-I246 HydrophobicContact CE3-CG1 4.04Å; W232-I246 HydrophobicContact CG-CG1 4.49Å; W232-I246 HydrophobicContact CH2-CB 3.98Å; W232-I246 HydrophobicContact CH2-CD1 3.53Å; W232-I246 HydrophobicContact CH2-CG1 3.97Å; W232-I246 HydrophobicContact CZ2-CB 4.23Å; W232-I246 HydrophobicContact CZ2-CD1 3.23Å; W232-I246 HydrophobicContact CZ2-CG1 3.72Å; W232-I246 HydrophobicContact CZ3-CB 3.68Å; W232-I246 HydrophobicContact CZ3-CD1 4.17Å; W232-I246 HydrophobicContact CZ3-CG1 4.12Å; W232-I246 HydrophobicContact CZ3-CG2 4.43Å; W232-L275 WeakPolarHBondContact O-CA 3.36Å; W232-D276 HydrophobicContact CB-CB 4.09Å; W232-D276 HydrophobicContact CG-CB 4.49Å; W232-D276 PolarHBondContact N-O 3.46Å; W232-D276 PolarHBondContact O-N 3.27Å |
| 233 | A | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y219 V221 M223 A245 A257 V273 K274 L275 | Y219-A233 HydrophobicContact CD2-CB 4.21Å; Y219-A233 HydrophobicContact CE2-CB 3.65Å; Y219-A233 PolarHBondContact OH-O 3.04Å; V221-A233 HydrophobicContact CB-CB 4.35Å; V221-A233 HydrophobicContact CG2-CB 4.14Å; M223-A233 HydrophobicContact SD-CB 4.16Å; A233-A245 PolarHBondContact N-O 3.49Å; A233-A245 PolarHBondContact O-N 3.26Å; A233-A257 HydrophobicContact CB-CB 3.63Å; A233-V273 HydrophobicContact CB-CG1 4.17Å; A233-K274 WeakPolarHBondContact CA-O 3.27Å; A233-L275 HydrophobicContact CB-CD2 4.05Å |
| 234 | D | 97.9 | Very high | 93.6 | Very high | 25 Ų | 25 | 51.2 Ų | 51.2 | 13% | 0.134 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.6 | -176.2 | -71.7 | -21.7 | 0 | 0 | 0 | 110.4 | C236 V241 S244 V273 K274 | D234-C236 PolarHBondContact O-N 3.39Å; D234-V241 HydrophobicContact CB-CG1 4.04Å; D234-V241 HydrophobicContact CB-CG2 4.04Å; D234-S244 WeakPolarHBondContact OD1-CB 3.47Å; D234-S244 PolarHBondContact OD1-OG 2.78Å; D234-V273 CarbonylContact O-C 3.48Å; D234-V273 VanDerWaalsContact O-CA 3.24Å; D234-V273 WeakPolarHBondContact O-CA 3.17Å; D234-K274 PolarHBondContact N-O 2.98Å; D234-K274 PolarHBondContact O-N 2.88Å |
| 235 | L | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 113.4 | 165.4 | -174.1 | 74.6 | 0 | 0 | 0 | 108.6 | F217 Y219 R242 A243 A261 L263 V271 V273 F291 | F217-L235 HydrophobicContact CB-CD1 4.32Å; F217-L235 HydrophobicContact CB-CD2 3.9Å; Y219-L235 HydrophobicContact CD1-CB 4.16Å; Y219-L235 HydrophobicContact CD1-CD1 4.36Å; Y219-L235 HydrophobicContact CE1-CB 3.71Å; L235-R242 PolarHBondContact O-N 3.17Å; L235-A243 HydrophobicContact CB-CB 4.24Å; L235-A243 PolarHBondContact N-O 3.42Å; L235-A243 PolarHBondContact O-N 2.82Å; L235-A261 HydrophobicContact CD2-CB 3.74Å; L235-L263 HydrophobicContact CD2-CD1 4.18Å; L235-V271 HydrophobicContact CD1-CG1 3.63Å; L235-V271 HydrophobicContact CG-CG1 4.08Å; L235-V273 HydrophobicContact CD1-CG2 4.36Å; L235-F291 HydrophobicContact CD1-CE2 3.67Å; L235-F291 HydrophobicContact CD1-CZ 3.81Å |
| 236 | C | 98.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 140.7 | -177.9 | -68.3 | 0 | 0 | 0 | 0 | 111.1 | D234 Q240 V271 Y272 | D234-C236 PolarHBondContact O-N 3.39Å; C236-Q240 CarbonylContact C-O 3.52Å; C236-Q240 VanDerWaalsContact CA-O 3.27Å; C236-Q240 WeakPolarHBondContact CA-O 3.45Å; C236-V271 VanDerWaalsContact O-CA 3.25Å; C236-V271 WeakPolarHBondContact O-CA 3.24Å; C236-Y272 HydrophobicContact CB-CD1 4.5Å; C236-Y272 HydrophobicContact CB-CD2 3.88Å; C236-Y272 HydrophobicContact CB-CE1 4.17Å; C236-Y272 HydrophobicContact CB-CE2 3.48Å; C236-Y272 VanDerWaalsContact CB-CE2 3.48Å; C236-Y272 HydrophobicContact CB-CG 4.38Å; C236-Y272 PolarHBondContact N-O 3.1Å; C236-Y272 PolarHBondContact O-N 2.93Å |
| 237 | K | 98.7 | Very high | 94.6 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.8 | 164.1 | 177.4 | -174.9 | 177.3 | 171.6 | 0 | 107.9 | G239 Q240 R242 H264 L265 D269 E270 | K237-G239 PolarHBondContact O-N 2.78Å; K237-G239 VanDerWaalsContact O-N 3.11Å; K237-Q240 PolarHBondContact N-O 3.11Å; K237-Q240 PolarHBondContact O-N 3.25Å; K237-R242 HydrophobicContact CB-CG 3.51Å; K237-H264 PolarHBondContact NZ-O 3.34Å; K237-L265 HydrophobicContact CD-CD2 3.81Å; K237-L265 HydrophobicContact CG-CD2 4.18Å; K237-D269 WeakPolarHBondContact CE-OD2 3.29Å; K237-D269 IonicContact NZ-OD2 3.63Å; K237-D269 PolarHBondContact NZ-OD2 3.02Å; K237-E270 CarbonylContact C-O 3.55Å; K237-E270 VanDerWaalsContact CA-O 3.31Å; K237-E270 WeakPolarHBondContact CA-O 3.16Å |
| 238 | N | 97.9 | Very high | 94.9 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 39 | -179.7 | -59.1 | -19.7 | 0 | 0 | 0 | 114 | Q240 D269 E270 | N238-Q240 VanDerWaalsContact C-N 3.33Å; N238-Q240 PolarHBondContact O-N 2.94Å; N238-D269 PolarHBondContact ND2-OD1 2.96Å; N238-D269 WeakPolarHBondContact OD1-CA 3.16Å; N238-E270 PolarHBondContact N-O 2.94Å; N238-E270 PolarHBondContact OD1-N 3.31Å |
| 239 | G | 96.3 | Very high | 95 | Very high | 50 Ų | 50 | 50.5 Ų | 50.5 | 52% | 0.515 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -3.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | K237 Y272 | K237-G239 PolarHBondContact O-N 2.78Å; K237-G239 VanDerWaalsContact O-N 3.11Å; G239-Y272 VanDerWaalsContact CA-OH 3.29Å; G239-Y272 WeakPolarHBondContact CA-OH 3.12Å; G239-Y272 PolarHBondContact N-OH 3.36Å |
| 240 | Q | 97.9 | Very high | 94.5 | Very high | 130 Ų | 130 | 51.5 Ų | 51.5 | 61% | 0.607 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 129.6 | 171.4 | -66 | -169.4 | -5 | 0 | 0 | 111.3 | C236 K237 N238 R242 | C236-Q240 CarbonylContact C-O 3.52Å; C236-Q240 VanDerWaalsContact CA-O 3.27Å; C236-Q240 WeakPolarHBondContact CA-O 3.45Å; K237-Q240 PolarHBondContact N-O 3.11Å; K237-Q240 PolarHBondContact O-N 3.25Å; N238-Q240 VanDerWaalsContact C-N 3.33Å; N238-Q240 PolarHBondContact O-N 2.94Å; Q240-R242 PolarHBondContact O-N 2.93Å |
| 241 | V | 98.2 | Very high | 93.8 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 127 | 173.1 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | D234 | D234-V241 HydrophobicContact CB-CG1 4.04Å; D234-V241 HydrophobicContact CB-CG2 4.04Å |
| 242 | R | 98.6 | Very high | 92.7 | Very high | 129 Ų | 129 | 59 Ų | 59 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -30.2 | 179.1 | -55.5 | -49.6 | -58.5 | 175.8 | 0.9 | 112.6 | L235 K237 Q240 L263 | L235-R242 PolarHBondContact O-N 3.17Å; K237-R242 HydrophobicContact CB-CG 3.51Å; Q240-R242 PolarHBondContact O-N 2.93Å; R242-L263 HydrophobicContact CB-CD1 4.12Å; R242-L263 HydrophobicContact CB-CD2 4.01Å; R242-L263 HydrophobicContact CG-CD1 4.14Å; R242-L263 HydrophobicContact CG-CD2 4.3Å |
| 243 | A | 98.6 | Very high | 92 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 11% | 0.107 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 148.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L235 N259 A261 | L235-A243 HydrophobicContact CB-CB 4.24Å; L235-A243 PolarHBondContact N-O 3.42Å; L235-A243 PolarHBondContact O-N 2.82Å; A243-N259 HydrophobicContact CB-CB 4.42Å; A243-A261 HydrophobicContact CB-CB 4.25Å |
| 244 | S | 98.1 | Very high | 91.8 | Very high | 42 Ų | 42 | 63.8 Ų | 63.8 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 146.3 | -176.1 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | W232 D234 N259 | W232-S244 VanDerWaalsContact CE3-OG 3.3Å; D234-S244 WeakPolarHBondContact OD1-CB 3.47Å; D234-S244 PolarHBondContact OD1-OG 2.78Å; S244-N259 PolarHBondContact O-ND2 2.99Å |
| 245 | A | 97.6 | Very high | 91.6 | Very high | 12 Ų | 12 | 65.5 Ų | 65.5 | 10% | 0.099 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 131.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y219 W232 A233 A257 S258 N259 | Y219-A245 HydrophobicContact CE2-CB 4.25Å; Y219-A245 PolarHBondContact OH-N 3.04Å; W232-A245 VanDerWaalsContact CA-O 3.27Å; W232-A245 WeakPolarHBondContact CA-O 3.4Å; A233-A245 PolarHBondContact N-O 3.49Å; A233-A245 PolarHBondContact O-N 3.26Å; A245-A257 HydrophobicContact CB-CB 3.94Å; A245-S258 WeakPolarHBondContact CB-O 3.1Å; A245-N259 HydrophobicContact CB-CB 4.32Å |
| 246 | I | 95 | Very high | 91.4 | Very high | 89 Ų | 89 | 69.9 Ų | 69.9 | 46% | 0.456 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 139.5 | 177.2 | -167.7 | -175.3 | 0 | 0 | 0 | 109.7 | M231 W232 | M231-I246 WeakPolarHBondContact O-CA 3.38Å; W232-I246 HydrophobicContact CD2-CB 3.95Å; W232-I246 HydrophobicContact CD2-CD1 4.31Å; W232-I246 HydrophobicContact CD2-CG1 3.82Å; W232-I246 HydrophobicContact CE3-CB 3.66Å; W232-I246 HydrophobicContact CE3-CG1 4.04Å; W232-I246 HydrophobicContact CG-CG1 4.49Å; W232-I246 HydrophobicContact CH2-CB 3.98Å; W232-I246 HydrophobicContact CH2-CD1 3.53Å; W232-I246 HydrophobicContact CH2-CG1 3.97Å; W232-I246 HydrophobicContact CZ2-CB 4.23Å; W232-I246 HydrophobicContact CZ2-CD1 3.23Å; W232-I246 HydrophobicContact CZ2-CG1 3.72Å; W232-I246 HydrophobicContact CZ3-CB 3.68Å; W232-I246 HydrophobicContact CZ3-CD1 4.17Å; W232-I246 HydrophobicContact CZ3-CG1 4.12Å; W232-I246 HydrophobicContact CZ3-CG2 4.43Å |
| 247 | A | 90.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 69.8 Ų | 69.8 | 5% | 0.05 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S230 M231 D255 | S230-A247 WeakPolarHBondContact CA-O 3.25Å; M231-A247 HydrophobicContact CG-CB 3.95Å; M231-A247 PolarHBondContact N-O 2.8Å; M231-A247 PolarHBondContact O-N 2.9Å; A247-D255 HydrophobicContact CB-CB 3.99Å; A247-D255 WeakPolarHBondContact CB-OD2 3.44Å |
| 248 | Q | 89.3 | Confident | 91.3 | Very high | 108 Ų | 108 | 69.9 Ų | 69.9 | 51% | 0.505 | 38% | 0.377 | S | S | . | . | trans | -154.4 | 123.6 | 176.1 | -178.2 | 177.6 | -6.7 | 0 | 0 | 109.8 | G228 S230 | G228-Q248 PolarHBondContact O-NE2 3.3Å; S230-Q248 PolarHBondContact OG-OE1 2.88Å | ||
| 249 | D | 83.5 | Confident | 91.3 | Very high | 54 Ų | 54 | 68.8 Ų | 68.8 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | trans | -120.1 | 149.3 | 173.5 | -73.2 | -42.8 | 0 | 0 | 0 | 110.6 | G228 | G228-D249 WeakPolarHBondContact CA-O 3.34Å; G228-D249 PolarHBondContact N-O 3.14Å | ||
| 250 | A | 77.8 | Confident | 91.5 | Very high | 84 Ų | 84 | 69.1 Ų | 69.1 | 69% | 0.694 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -72.6 | -35.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G228 | G228-A250 PolarHBondContact N-O 3.05Š|
| 251 | D | 74.6 | Confident | 91.5 | Very high | 123 Ų | 123 | 63.7 Ų | 63.7 | 66% | 0.658 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -124.1 | 122.3 | -177.5 | 45.5 | -22.9 | 0 | 0 | 0 | 109.2 | N253 | D251-N253 PolarHBondContact O-N 3.1Š|
| 252 | Q | 68.3 | Low | 91.5 | Very high | 77 Ų | 77 | 64.4 Ų | 64.4 | 36% | 0.36 | 35% | 0.347 | S | S | . | . | trans | -41.2 | 105.6 | -167.5 | -105.3 | -147.2 | 4.1 | 0 | 0 | 113.5 | G225 D227 | G225-Q252 VanDerWaalsContact O-CG 3.31Å; G225-Q252 WeakPolarHBondContact O-CG 3.13Å; G225-Q252 PolarHBondContact O-NE2 2.92Å; D227-Q252 WeakPolarHBondContact OD1-CA 3.27Å; D227-Q252 WeakPolarHBondContact OD1-CB 3.44Å; D227-Q252 WeakPolarHBondContact OD1-CG 3.5Å; D227-Q252 PolarHBondContact OD1-N 3.24Å | ||
| 253 | N | 79.9 | Confident | 91.5 | Very high | 99 Ų | 99 | 59 Ų | 59 | 53% | 0.529 | 33% | 0.329 | S | S | . | . | trans | -131.5 | 167.9 | 175.8 | -132.5 | 41.4 | 0 | 0 | 0 | 112.1 | D251 | D251-N253 PolarHBondContact O-N 3.1Š| ||
| 254 | Y | 90.8 | Very high | 91.5 | Very high | 96 Ų | 96 | 61.9 Ų | 61.9 | 38% | 0.376 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.3 | 170.9 | -78.1 | -88.7 | 0 | 0 | 0 | 108.6 | L222 M223 R224 H281 | L222-Y254 HydrophobicContact CD1-CD1 4.05Å; L222-Y254 HydrophobicContact CD1-CG 4.46Å; L222-Y254 HydrophobicContact CD2-CD1 4.16Å; L222-Y254 HydrophobicContact CG-CD1 3.95Å; M223-Y254 WeakPolarHBondContact O-CA 3.4Å; R224-Y254 HydrophobicContact CB-CD1 4.13Å; R224-Y254 HydrophobicContact CB-CE1 3.9Å; Y254-H281 HydrophobicContact CE1-CB 4.2Å; Y254-H281 AromaticContact CE1-CD2 3.5Å; Y254-H281 VanDerWaalsContact CE1-CD2 3.5Å; Y254-H281 WeakPolarHBondContact CE1-CD2 3.43Å; Y254-H281 AromaticContact CE1-CG 3.68Å; Y254-H281 AromaticContact CE1-NE2 3.75Å; Y254-H281 PolarHBondContact OH-CE1 3.38Å |
| 255 | D | 94.1 | Very high | 91.6 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 166.1 | 173.7 | -161.1 | 9.4 | 0 | 0 | 0 | 111 | M223 A247 | M223-D255 PolarHBondContact N-O 2.86Å; M223-D255 PolarHBondContact O-N 3.44Å; M223-D255 VanDerWaalsContact O-N 3.11Å; A247-D255 HydrophobicContact CB-CB 3.99Å; A247-D255 WeakPolarHBondContact CB-OD2 3.44Å |
| 256 | Y | 95.7 | Very high | 91.6 | Very high | 91 Ų | 91 | 63.2 Ų | 63.2 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.9 | -178.6 | -93.6 | -82.7 | 0 | 0 | 0 | 112.3 | H220 V221 L222 Y288 | H220-Y256 HydrophobicContact CB-CD1 4.05Å; H220-Y256 HydrophobicContact CB-CE1 3.9Å; V221-Y256 WeakPolarHBondContact O-CA 3.17Å; L222-Y256 HydrophobicContact CB-CE1 4.07Å; L222-Y256 HydrophobicContact CB-CE2 4.34Å; L222-Y256 HydrophobicContact CD1-CD2 4.14Å; L222-Y256 HydrophobicContact CD1-CE2 3.88Å; Y256-Y288 WeakPolarHBondContact CE1-O 3.29Å; Y256-Y288 WeakPolarHBondContact OH-CA 3.26Å; Y256-Y288 PolarHBondContact OH-O 3.13Å |
| 257 | A | 96.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.008 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 104.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y219 V221 M223 A233 A245 | Y219-A257 WeakPolarHBondContact CE2-O 3.26Å; V221-A257 PolarHBondContact N-O 2.85Å; V221-A257 PolarHBondContact O-N 3.41Å; M223-A257 HydrophobicContact SD-CB 3.8Å; A233-A257 HydrophobicContact CB-CB 3.63Å; A245-A257 HydrophobicContact CB-CB 3.94Å |
| 258 | S | 98.4 | Very high | 92.1 | Very high | 43 Ų | 43 | 64.5 Ų | 64.5 | 30% | 0.301 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 136.2 | -175.7 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | Y219 H220 A245 | Y219-S258 VanDerWaalsContact O-CA 3.29Å; Y219-S258 WeakPolarHBondContact O-CA 3.4Å; H220-S258 WeakPolarHBondContact CA-OG 3.17Å; H220-S258 VanDerWaalsContact ND1-CB 3.27Å; H220-S258 WeakPolarHBondContact ND1-CB 3.48Å; H220-S258 PolarHBondContact ND1-OG 3.45Å; A245-S258 WeakPolarHBondContact CB-O 3.1Å |
| 259 | N | 98.8 | Very high | 92.6 | Very high | 62 Ų | 62 | 60.2 Ų | 60.2 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 176.3 | 171.1 | -146.7 | -29.5 | 0 | 0 | 0 | 111.2 | T218 Y219 A243 S244 A245 | T218-N259 WeakPolarHBondContact CA-O 3.49Å; T218-N259 PolarHBondContact OG1-O 3.11Å; T218-N259 VanDerWaalsContact OG1-O 3.11Å; Y219-N259 HydrophobicContact CE1-CB 3.7Å; Y219-N259 HydrophobicContact CE2-CB 4.29Å; Y219-N259 VanDerWaalsContact CZ-CB 3.49Å; Y219-N259 PolarHBondContact N-O 3.04Å; Y219-N259 PolarHBondContact O-N 3.28Å; Y219-N259 WeakPolarHBondContact OH-CB 3.38Å; A243-N259 HydrophobicContact CB-CB 4.42Å; S244-N259 PolarHBondContact O-ND2 2.99Å; A245-N259 HydrophobicContact CB-CB 4.32Å |
| 260 | S | 98.8 | Very high | 93.3 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 158.1 | 174.7 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | F217 | F217-S260 CarbonylContact O-C 3.59Å; F217-S260 WeakPolarHBondContact O-CA 3.31Å; F217-S260 VanDerWaalsContact O-CB 3.3Å; F217-S260 WeakPolarHBondContact O-CB 3.43Å |
| 261 | A | 98.8 | Very high | 94.3 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 147.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F217 L235 A243 L263 | F217-A261 PolarHBondContact N-O 3.39Å; F217-A261 PolarHBondContact O-N 3.14Å; L235-A261 HydrophobicContact CD2-CB 3.74Å; A243-A261 HydrophobicContact CB-CB 4.25Å; A261-L263 HydrophobicContact CB-CD1 4.43Å; A261-L263 HydrophobicContact CB-CD2 4.12Å; A261-L263 HydrophobicContact CB-CG 4.04Å |
| 262 | V | 98.8 | Very high | 95.4 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 54% | 0.539 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.9 | 163.8 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | I214 Y215 F216 L296 | I214-V262 HydrophobicContact CG2-CG1 3.38Å; Y215-V262 CarbonylContact O-C 3.58Å; Y215-V262 VanDerWaalsContact O-CA 3.29Å; Y215-V262 WeakPolarHBondContact O-CA 3.38Å; F216-V262 HydrophobicContact CD2-CG2 3.96Å; V262-L296 HydrophobicContact CG1-CD1 4.07Å; V262-L296 HydrophobicContact CG2-CD1 4.4Å |
| 263 | L | 98.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.7 | -173.4 | -59.2 | 177.2 | 0 | 0 | 0 | 110.3 | Y215 F217 L235 R242 A261 L265 | Y215-L263 PolarHBondContact N-O 3.41Å; Y215-L263 PolarHBondContact O-N 3.35Å; F217-L263 HydrophobicContact CD2-CD1 4.18Å; F217-L263 HydrophobicContact CE2-CD1 4.45Å; L235-L263 HydrophobicContact CD2-CD1 4.18Å; R242-L263 HydrophobicContact CB-CD1 4.12Å; R242-L263 HydrophobicContact CB-CD2 4.01Å; R242-L263 HydrophobicContact CG-CD1 4.14Å; R242-L263 HydrophobicContact CG-CD2 4.3Å; A261-L263 HydrophobicContact CB-CD1 4.43Å; A261-L263 HydrophobicContact CB-CD2 4.12Å; A261-L263 HydrophobicContact CB-CG 4.04Å; L263-L265 HydrophobicContact CB-CD2 4.2Å |
| 264 | H | 98.7 | Very high | 97.7 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 34% | 0.338 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 131.6 | 159.5 | -178.1 | -85.8 | 0 | 0 | 0 | 109.1 | G213 I214 K237 D266 D299 | G213-H264 WeakPolarHBondContact O-CA 3.25Å; I214-H264 HydrophobicContact CD1-CB 3.68Å; K237-H264 PolarHBondContact NZ-O 3.34Å; H264-D266 IonicContact CE1-OD1 3.3Å; H264-D299 IonicContact CD2-OD1 2.94Å; H264-D299 IonicContact CD2-OD2 2.64Å; H264-D299 IonicContact CE1-OD2 3.94Å; H264-D299 IonicContact NE2-OD1 2.69Å; H264-D299 PolarHBondContact NE2-OD1 2.93Å; H264-D299 IonicContact NE2-OD2 3.27Å; H264-D299 PolarHBondContact NE2-OD2 3.01Å |
| 265 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.4 | 177.6 | -58.4 | -176.5 | 0 | 0 | 0 | 109.8 | F207 C209 S212 G213 Y215 F217 K237 L263 D269 V271 | F207-L265 HydrophobicContact CD1-CD1 4.31Å; F207-L265 HydrophobicContact CE1-CD1 3.92Å; C209-L265 HydrophobicContact CB-CB 4.01Å; C209-L265 HydrophobicContact CB-CD1 4.14Å; S212-L265 CarbonylContact C-O 3.48Å; S212-L265 WeakPolarHBondContact CA-O 3.41Å; G213-L265 PolarHBondContact N-O 2.82Å; G213-L265 PolarHBondContact O-N 2.98Å; Y215-L265 HydrophobicContact CD2-CB 3.93Å; Y215-L265 HydrophobicContact CD2-CD1 3.72Å; Y215-L265 HydrophobicContact CD2-CG 3.86Å; Y215-L265 HydrophobicContact CE2-CB 4.09Å; Y215-L265 HydrophobicContact CE2-CD1 4.22Å; Y215-L265 HydrophobicContact CE2-CG 4.45Å; Y215-L265 HydrophobicContact CG-CD1 3.9Å; Y215-L265 HydrophobicContact CG-CG 4.4Å; F217-L265 HydrophobicContact CE2-CD1 3.81Å; F217-L265 HydrophobicContact CZ-CD1 3.68Å; K237-L265 HydrophobicContact CD-CD2 3.81Å; K237-L265 HydrophobicContact CG-CD2 4.18Å; L263-L265 HydrophobicContact CB-CD2 4.2Å; L265-D269 WeakPolarHBondContact CA-OD2 3.31Å; L265-D269 HydrophobicContact CB-CB 4.29Å; L265-D269 HydrophobicContact CD2-CB 4.2Å; L265-V271 HydrophobicContact CD1-CG2 3.74Å; L265-V271 HydrophobicContact CD2-CG2 3.63Å; L265-V271 HydrophobicContact CG-CG2 4.37Å |
| 266 | D | 98.6 | Very high | 97.6 | Very high | 82 Ų | 82 | 42.4 Ų | 42.4 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | trans | -90.7 | 153.6 | 165.9 | -69.3 | -53.1 | 0 | 0 | 0 | 110 | C209 S212 H264 G268 D269 | C209-D266 VanDerWaalsContact CB-O 3.28Å; C209-D266 WeakPolarHBondContact CB-O 3.32Å; C209-D266 PolarHBondContact SG-O 2.84Å; C209-D266 VanDerWaalsContact SG-O 3.34Å; S212-D266 WeakPolarHBondContact OG-CA 3.37Å; H264-D266 IonicContact CE1-OD1 3.3Å; D266-G268 PolarHBondContact O-N 3.21Å; D266-D269 PolarHBondContact N-OD2 3.31Å; D266-D269 VanDerWaalsContact O-CB 3.27Å; D266-D269 WeakPolarHBondContact O-CB 2.8Å; D266-D269 PolarHBondContact O-N 3.4Å | ||
| 267 | S | 97.7 | Very high | 97.3 | Very high | 76 Ų | 76 | 39.3 Ų | 39.3 | 53% | 0.531 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 126.8 | 170.5 | 180 | 0 | 0 | 0 | 0 | 110.7 | S212 | S212-S267 PolarHBondContact OG-N 2.88Å; S212-S267 VanDerWaalsContact OG-N 3.1Å |
| 268 | G | 98.3 | Very high | 96.9 | Very high | 46 Ų | 46 | 40.1 Ų | 40.1 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | -14.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | C209 D266 | C209-G268 PolarHBondContact O-N 2.54Å; D266-G268 PolarHBondContact O-N 3.21Å |
| 269 | D | 98.8 | Very high | 96.6 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | trans | -65.7 | 136.2 | 177 | -74.7 | -22.7 | 0 | 0 | 0 | 111.7 | C209 K237 N238 L265 D266 | C209-D269 HydrophobicContact CB-CB 4.23Å; C209-D269 WeakPolarHBondContact CB-O 3.37Å; C209-D269 PolarHBondContact N-O 3.46Å; K237-D269 WeakPolarHBondContact CE-OD2 3.29Å; K237-D269 IonicContact NZ-OD2 3.63Å; K237-D269 PolarHBondContact NZ-OD2 3.02Å; N238-D269 PolarHBondContact ND2-OD1 2.96Å; N238-D269 WeakPolarHBondContact OD1-CA 3.16Å; L265-D269 WeakPolarHBondContact CA-OD2 3.31Å; L265-D269 HydrophobicContact CB-CB 4.29Å; L265-D269 HydrophobicContact CD2-CB 4.2Å; D266-D269 PolarHBondContact N-OD2 3.31Å; D266-D269 VanDerWaalsContact O-CB 3.27Å; D266-D269 WeakPolarHBondContact O-CB 2.8Å; D266-D269 PolarHBondContact O-N 3.4Å | ||
| 270 | E | 98.8 | Very high | 96.4 | Very high | 61 Ų | 61 | 38 Ų | 38 | 29% | 0.285 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.3 | 175.7 | -63 | -176.9 | 134.9 | 0 | 0 | 110.6 | K206 F207 K237 N238 Y272 | K206-E270 HydrophobicContact CD-CB 4.27Å; K206-E270 HydrophobicContact CD-CG 4.27Å; K206-E270 VanDerWaalsContact CD-OE1 3.29Å; K206-E270 WeakPolarHBondContact CD-OE1 3.46Å; K206-E270 IonicContact NZ-OE1 3.15Å; K206-E270 PolarHBondContact NZ-OE1 2.99Å; K206-E270 IonicContact NZ-OE2 3.88Å; K206-E270 PolarHBondContact NZ-OE2 3.49Å; F207-E270 CarbonylContact O-C 3.53Å; F207-E270 WeakPolarHBondContact O-CA 3.48Å; K237-E270 CarbonylContact C-O 3.55Å; K237-E270 VanDerWaalsContact CA-O 3.31Å; K237-E270 WeakPolarHBondContact CA-O 3.16Å; N238-E270 PolarHBondContact N-O 2.94Å; N238-E270 PolarHBondContact OD1-N 3.31Å; E270-Y272 HydrophobicContact CB-CD1 4.43Å |
| 271 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132 | 172.8 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | F207 F217 L235 C236 L265 F291 | F207-V271 HydrophobicContact CB-CB 4.49Å; F207-V271 HydrophobicContact CD1-CB 4.49Å; F207-V271 PolarHBondContact N-O 2.98Å; F207-V271 PolarHBondContact O-N 3.41Å; F217-V271 HydrophobicContact CD1-CG1 4.04Å; F217-V271 HydrophobicContact CD2-CG1 4.23Å; F217-V271 HydrophobicContact CE1-CB 4.13Å; F217-V271 HydrophobicContact CE1-CG1 3.99Å; F217-V271 HydrophobicContact CE2-CB 4.44Å; F217-V271 HydrophobicContact CE2-CG1 4.19Å; F217-V271 HydrophobicContact CE2-CG2 4.07Å; F217-V271 HydrophobicContact CG-CG1 4.16Å; F217-V271 HydrophobicContact CZ-CB 4.03Å; F217-V271 HydrophobicContact CZ-CG1 4.08Å; F217-V271 HydrophobicContact CZ-CG2 3.93Å; L235-V271 HydrophobicContact CD1-CG1 3.63Å; L235-V271 HydrophobicContact CG-CG1 4.08Å; C236-V271 VanDerWaalsContact O-CA 3.25Å; C236-V271 WeakPolarHBondContact O-CA 3.24Å; L265-V271 HydrophobicContact CD1-CG2 3.74Å; L265-V271 HydrophobicContact CD2-CG2 3.63Å; L265-V271 HydrophobicContact CG-CG2 4.37Å; V271-F291 HydrophobicContact CG1-CZ 4.25Å |
| 272 | Y | 98.8 | Very high | 96.1 | Very high | 29 Ų | 29 | 36 Ų | 36 | 11% | 0.114 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 164.4 | -177.9 | 56.5 | -92.3 | 0 | 0 | 0 | 112.5 | V186 K206 C236 G239 E270 K274 | V186-Y272 HydrophobicContact CB-CD2 4.27Å; V186-Y272 HydrophobicContact CG1-CD2 3.89Å; V186-Y272 HydrophobicContact CG1-CG 4.03Å; V186-Y272 HydrophobicContact CG2-CD2 3.63Å; V186-Y272 HydrophobicContact CG2-CE2 3.71Å; V186-Y272 HydrophobicContact CG2-CG 4.24Å; K206-Y272 HydrophobicContact CD-CD1 4.12Å; K206-Y272 HydrophobicContact CG-CD1 4.02Å; K206-Y272 HydrophobicContact CG-CG 4.22Å; C236-Y272 HydrophobicContact CB-CD1 4.5Å; C236-Y272 HydrophobicContact CB-CD2 3.88Å; C236-Y272 HydrophobicContact CB-CE1 4.17Å; C236-Y272 HydrophobicContact CB-CE2 3.48Å; C236-Y272 VanDerWaalsContact CB-CE2 3.48Å; C236-Y272 HydrophobicContact CB-CG 4.38Å; C236-Y272 PolarHBondContact N-O 3.1Å; C236-Y272 PolarHBondContact O-N 2.93Å; G239-Y272 VanDerWaalsContact CA-OH 3.29Å; G239-Y272 WeakPolarHBondContact CA-OH 3.12Å; G239-Y272 PolarHBondContact N-OH 3.36Å; E270-Y272 HydrophobicContact CB-CD1 4.43Å; Y272-K274 HydrophobicContact CE2-CB 4.4Å |
| 273 | V | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.2 | 173 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | L187 F189 Y219 V221 A233 D234 L235 L275 F291 | L187-V273 HydrophobicContact CB-CB 4.46Å; L187-V273 PolarHBondContact N-O 3.5Å; F189-V273 HydrophobicContact CE2-CB 4.06Å; F189-V273 HydrophobicContact CE2-CG2 4.1Å; F189-V273 HydrophobicContact CZ-CG2 4.46Å; Y219-V273 HydrophobicContact CD1-CG2 4.2Å; Y219-V273 HydrophobicContact CG-CG2 3.98Å; V221-V273 HydrophobicContact CG2-CG1 4.25Å; A233-V273 HydrophobicContact CB-CG1 4.17Å; D234-V273 CarbonylContact O-C 3.48Å; D234-V273 VanDerWaalsContact O-CA 3.24Å; D234-V273 WeakPolarHBondContact O-CA 3.17Å; L235-V273 HydrophobicContact CD1-CG2 4.36Å; V273-L275 HydrophobicContact CG1-CD2 4.48Å; V273-F291 HydrophobicContact CG2-CD1 4.28Å; V273-F291 HydrophobicContact CG2-CD2 3.99Å; V273-F291 HydrophobicContact CG2-CE1 4.46Å; V273-F291 HydrophobicContact CG2-CE2 4.18Å; V273-F291 HydrophobicContact CG2-CG 4.07Å; V273-F291 HydrophobicContact CG2-CZ 4.41Å |
| 274 | K | 96.3 | Very high | 95.6 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.4 | 173.9 | -176.4 | -176 | 172.9 | -166.6 | 0 | 109.5 | Y184 A233 D234 Y272 | Y184-K274 VanDerWaalsContact O-CE 3.29Å; Y184-K274 WeakPolarHBondContact O-CE 3.32Å; A233-K274 WeakPolarHBondContact CA-O 3.27Å; D234-K274 PolarHBondContact N-O 2.98Å; D234-K274 PolarHBondContact O-N 2.88Å; Y272-K274 HydrophobicContact CE2-CB 4.4Å |
| 275 | L | 94.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 153 | 176.8 | -55 | 179.6 | 0 | 0 | 0 | 112.2 | E185 L187 V221 M223 W232 A233 V273 A280 | E185-L275 PolarHBondContact O-N 3.33Å; L187-L275 HydrophobicContact CB-CD1 4.38Å; L187-L275 HydrophobicContact CB-CG 4.17Å; L187-L275 HydrophobicContact CD1-CD1 4.07Å; L187-L275 HydrophobicContact CD2-CD1 4.2Å; L187-L275 HydrophobicContact CD2-CD2 4.04Å; L187-L275 HydrophobicContact CD2-CG 4.33Å; L187-L275 HydrophobicContact CG-CD1 4.45Å; V221-L275 HydrophobicContact CG1-CD2 4.08Å; M223-L275 HydrophobicContact CE-CB 4.18Å; M223-L275 HydrophobicContact CE-CD1 4.44Å; M223-L275 HydrophobicContact CE-CD2 3.83Å; M223-L275 HydrophobicContact CE-CG 4.36Å; M223-L275 HydrophobicContact SD-CD2 3.97Å; W232-L275 WeakPolarHBondContact O-CA 3.36Å; A233-L275 HydrophobicContact CB-CD2 4.05Å; V273-L275 HydrophobicContact CG1-CD2 4.48Å; L275-A280 HydrophobicContact CD1-CB 3.56Å |
| 276 | D | 90.4 | Very high | 95.3 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 141 | 167.3 | -167.2 | -23.6 | 0 | 0 | 0 | 109.3 | Y184 M231 W232 G278 | Y184-D276 HydrophobicContact CD1-CB 4.37Å; Y184-D276 HydrophobicContact CE1-CB 4.16Å; Y184-D276 WeakPolarHBondContact CE1-OD1 3.29Å; Y184-D276 WeakPolarHBondContact CE1-OD2 3.25Å; Y184-D276 PolarHBondContact OH-OD1 2.92Å; M231-D276 CarbonylContact C-O 3.59Å; M231-D276 WeakPolarHBondContact CA-O 3.24Å; W232-D276 HydrophobicContact CB-CB 4.09Å; W232-D276 HydrophobicContact CG-CB 4.49Å; W232-D276 PolarHBondContact N-O 3.46Å; W232-D276 PolarHBondContact O-N 3.27Å; D276-G278 VanDerWaalsContact C-N 3.27Å; D276-G278 PolarHBondContact O-N 3.43Å; D276-G278 VanDerWaalsContact O-N 3.17Å |
| 277 | G | 87.6 | Confident | 95.3 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 26% | 0.258 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 72.4 | 6.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 278 | G | 88.3 | Confident | 95.2 | Very high | 18 Ų | 18 | 43 Ų | 43 | 19% | 0.186 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 175 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R224 D276 | R224-G278 WeakPolarHBondContact O-CA 3.18Å; D276-G278 VanDerWaalsContact C-N 3.27Å; D276-G278 PolarHBondContact O-N 3.43Å; D276-G278 VanDerWaalsContact O-N 3.17Å |
| 279 | K | 91.7 | Very high | 95.2 | Very high | 60 Ų | 60 | 40.8 Ų | 40.8 | 26% | 0.261 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131.9 | 177 | -178.4 | 173.4 | -166 | 158.2 | 0 | 110.5 | P180 H181 E182 M223 R224 H281 | P180-K279 HydrophobicContact CB-CD 4.35Å; P180-K279 HydrophobicContact CB-CG 4.48Å; H181-K279 WeakPolarHBondContact O-CA 3.41Å; H181-K279 WeakPolarHBondContact O-CG 3.39Å; E182-K279 HydrophobicContact CG-CB 3.85Å; E182-K279 HydrophobicContact CG-CD 3.52Å; E182-K279 HydrophobicContact CG-CG 3.49Å; E182-K279 VanDerWaalsContact CG-CG 3.49Å; E182-K279 WeakPolarHBondContact OE1-CD 3.3Å; E182-K279 WeakPolarHBondContact OE1-CE 3.29Å; E182-K279 IonicContact OE1-NZ 2.76Å; E182-K279 PolarHBondContact OE1-NZ 3.27Å; M223-K279 CarbonylContact C-O 3.51Å; M223-K279 VanDerWaalsContact CA-O 3.25Å; M223-K279 WeakPolarHBondContact CA-O 3.45Å; R224-K279 PolarHBondContact N-O 2.94Å; R224-K279 PolarHBondContact O-N 2.83Å; K279-H281 PolarHBondContact O-CD2 2.93Å; K279-H281 VanDerWaalsContact O-CD2 3.3Å |
| 280 | A | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 145.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L177 P180 H181 L187 V221 L222 L275 | L177-A280 HydrophobicContact CD2-CB 3.72Å; P180-A280 VanDerWaalsContact CA-O 3.27Å; P180-A280 WeakPolarHBondContact CA-O 3.48Å; H181-A280 PolarHBondContact N-O 3.44Å; H181-A280 PolarHBondContact O-N 3.02Å; L187-A280 HydrophobicContact CD1-CB 3.92Å; L187-A280 HydrophobicContact CD2-CB 3.87Å; V221-A280 HydrophobicContact CG1-CB 3.52Å; L222-A280 CarbonylContact O-C 3.58Å; L222-A280 WeakPolarHBondContact O-CA 3.29Å; L275-A280 HydrophobicContact CD1-CB 3.56Å |
| 281 | H | 95.4 | Very high | 95.2 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | trans | -129.3 | 129.5 | -176 | -72.5 | -93.9 | 0 | 0 | 0 | 112.9 | L222 Y254 K279 S289 | L222-H281 HydrophobicContact CD2-CB 4.17Å; L222-H281 HydrophobicContact CG-CB 4.35Å; L222-H281 PolarHBondContact O-N 2.94Å; Y254-H281 HydrophobicContact CE1-CB 4.2Å; Y254-H281 AromaticContact CE1-CD2 3.5Å; Y254-H281 VanDerWaalsContact CE1-CD2 3.5Å; Y254-H281 WeakPolarHBondContact CE1-CD2 3.43Å; Y254-H281 AromaticContact CE1-CG 3.68Å; Y254-H281 AromaticContact CE1-NE2 3.75Å; Y254-H281 PolarHBondContact OH-CE1 3.38Å; K279-H281 PolarHBondContact O-CD2 2.93Å; K279-H281 VanDerWaalsContact O-CD2 3.3Å; H281-S289 WeakPolarHBondContact O-CB 3.33Å; H281-S289 PolarHBondContact O-N 3.33Å; H281-S289 PolarHBondContact O-OG 2.93Å | ||
| 282 | G | 95.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | trans | -78.6 | -21.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L177 N286 K287 Y288 | L177-G282 WeakPolarHBondContact O-CA 3.41Å; G282-N286 CarbonylContact O-C 3.58Å; G282-N286 VanDerWaalsContact O-C 3.23Å; G282-N286 WeakPolarHBondContact O-CA 3.49Å; G282-N286 PolarHBondContact O-N 2.98Å; G282-K287 PolarHBondContact O-N 2.98Å; G282-Y288 WeakPolarHBondContact O-CD2 3.22Å; G282-Y288 PolarHBondContact O-N 2.91Å | ||
| 283 | G | 93.6 | Very high | 95.2 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 39% | 0.392 | 20% | 0.204 | S | C | . | . | trans | 67 | -169.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N285 | G283-N285 PolarHBondContact O-N 3.47Š| ||
| 284 | N | 93.9 | Very high | 95.2 | Very high | 144 Ų | 144 | 41.3 Ų | 41.3 | 77% | 0.77 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -21 | -174.8 | 62.7 | -16.3 | 0 | 0 | 0 | 114.7 | ||
| 285 | N | 95 | Very high | 95.3 | Very high | 78 Ų | 78 | 38.8 Ų | 38.8 | 42% | 0.417 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 6 | -177.8 | 64.7 | 9.2 | 0 | 0 | 0 | 112.9 | G283 K287 | G283-N285 PolarHBondContact O-N 3.47Å; N285-K287 WeakPolarHBondContact O-CG 3.34Å; N285-K287 PolarHBondContact O-N 3.08Å; N285-K287 PolarHBondContact O-NZ 3.37Å; N285-K287 WeakPolarHBondContact OD1-CB 3.36Å; N285-K287 PolarHBondContact OD1-N 3.05Å |
| 286 | N | 96.9 | Very high | 95.5 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 21% | 0.214 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 66.3 | 12.6 | -180 | -43.1 | -34.1 | 0 | 0 | 0 | 114.9 | G176 L177 K178 D191 G282 | G176-N286 WeakPolarHBondContact CA-O 3.38Å; L177-N286 PolarHBondContact N-O 3.4Å; L177-N286 VanDerWaalsContact N-O 3.15Å; L177-N286 WeakPolarHBondContact O-CA 3.04Å; L177-N286 VanDerWaalsContact O-CB 3.22Å; L177-N286 WeakPolarHBondContact O-CB 3.29Å; K178-N286 HydrophobicContact CG-CB 4.24Å; D191-N286 HydrophobicContact CB-CB 4.14Å; D191-N286 WeakPolarHBondContact OD2-CB 3.35Å; G282-N286 CarbonylContact O-C 3.58Å; G282-N286 VanDerWaalsContact O-C 3.23Å; G282-N286 WeakPolarHBondContact O-CA 3.49Å; G282-N286 PolarHBondContact O-N 2.98Å |
| 287 | K | 97.1 | Very high | 95.6 | Very high | 79 Ų | 79 | 46.6 Ų | 46.6 | 34% | 0.343 | 24% | 0.241 | S | C | . | . | trans | -107 | 1.7 | -173.3 | -55.9 | -56.2 | 174.2 | -76.4 | 0 | 114.7 | D191 I193 G282 N285 T290 | D191-K287 IonicContact OD2-NZ 2.64Å; D191-K287 PolarHBondContact OD2-NZ 2.91Å; I193-K287 HydrophobicContact CD1-CD 4.28Å; G282-K287 PolarHBondContact O-N 2.98Å; N285-K287 WeakPolarHBondContact O-CG 3.34Å; N285-K287 PolarHBondContact O-N 3.08Å; N285-K287 PolarHBondContact O-NZ 3.37Å; N285-K287 WeakPolarHBondContact OD1-CB 3.36Å; N285-K287 PolarHBondContact OD1-N 3.05Å; K287-T290 WeakPolarHBondContact O-CG2 3.47Å | ||
| 288 | Y | 97.3 | Very high | 96 | Very high | 103 Ų | 103 | 48.1 Ų | 48.1 | 40% | 0.404 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -77.5 | -37.7 | 179.3 | -74.7 | -97 | 0 | 0 | 0 | 112.3 | L222 Y256 G282 | L222-Y288 HydrophobicContact CD2-CD1 3.89Å; L222-Y288 HydrophobicContact CD2-CG 4.03Å; Y256-Y288 WeakPolarHBondContact CE1-O 3.29Å; Y256-Y288 WeakPolarHBondContact OH-CA 3.26Å; Y256-Y288 PolarHBondContact OH-O 3.13Å; G282-Y288 WeakPolarHBondContact O-CD2 3.22Å; G282-Y288 PolarHBondContact O-N 2.91Å |
| 289 | S | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -106.6 | 123 | 171.7 | -66.2 | 0 | 0 | 0 | 0 | 109.9 | G176 L177 H220 L222 H281 | G176-S289 CarbonylContact C-O 3.41Å; G176-S289 WeakPolarHBondContact CA-O 3.01Å; L177-S289 PolarHBondContact N-O 3.47Å; L177-S289 VanDerWaalsContact N-O 3.14Å; H220-S289 CarbonylContact O-C 3.48Å; H220-S289 VanDerWaalsContact O-CA 3.25Å; H220-S289 WeakPolarHBondContact O-CA 3.46Å; L222-S289 PolarHBondContact N-OG 3.3Å; L222-S289 PolarHBondContact O-OG 3.05Å; H281-S289 WeakPolarHBondContact O-CB 3.33Å; H281-S289 PolarHBondContact O-N 3.33Å; H281-S289 PolarHBondContact O-OG 2.93Å |
| 290 | T | 98.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.08 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 150.1 | -172.9 | 62.5 | 0 | 0 | 0 | 0 | 112.6 | Y174 V175 Y219 H220 K287 | Y174-T290 HydrophobicContact CE2-CG2 3.8Å; Y174-T290 WeakPolarHBondContact OH-CG2 3.22Å; V175-T290 VanDerWaalsContact O-CA 3.24Å; V175-T290 WeakPolarHBondContact O-CA 3.48Å; Y219-T290 WeakPolarHBondContact CA-O 3.29Å; H220-T290 PolarHBondContact N-O 2.87Å; H220-T290 PolarHBondContact O-N 2.91Å; K287-T290 WeakPolarHBondContact O-CG2 3.47Å |
| 291 | F | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 137.3 | 170.5 | -179.6 | -144.9 | 0 | 0 | 0 | 109.3 | F173 V175 F189 Y200 F217 T218 L235 V271 V273 | F173-F291 HydrophobicContact CE2-CB 4.49Å; F173-F291 AromaticContact CE2-CD1 3.56Å; F173-F291 HydrophobicContact CE2-CD1 3.56Å; F173-F291 HydrophobicContact CE2-CD2 4.37Å; F173-F291 AromaticContact CE2-CE1 3.77Å; F173-F291 HydrophobicContact CE2-CE1 3.77Å; F173-F291 AromaticContact CE2-CG 3.87Å; F173-F291 HydrophobicContact CE2-CG 3.87Å; F173-F291 HydrophobicContact CE2-CZ 4.26Å; F173-F291 AromaticContact CZ-CD1 3.85Å; F173-F291 HydrophobicContact CZ-CD1 3.85Å; F173-F291 HydrophobicContact CZ-CD2 4.28Å; F173-F291 AromaticContact CZ-CE1 3.58Å; F173-F291 HydrophobicContact CZ-CE1 3.58Å; F173-F291 HydrophobicContact CZ-CE2 4.04Å; F173-F291 HydrophobicContact CZ-CG 4.19Å; F173-F291 AromaticContact CZ-CZ 3.68Å; F173-F291 HydrophobicContact CZ-CZ 3.68Å; V175-F291 HydrophobicContact CG2-CB 3.93Å; V175-F291 VanDerWaalsContact CG2-O 3.29Å; V175-F291 WeakPolarHBondContact CG2-O 3.39Å; V175-F291 PolarHBondContact N-O 3.01Å; V175-F291 PolarHBondContact O-N 2.85Å; F189-F291 HydrophobicContact CD1-CB 4.31Å; F189-F291 HydrophobicContact CD2-CB 3.72Å; F189-F291 HydrophobicContact CD2-CD1 4.21Å; F189-F291 HydrophobicContact CD2-CG 4.41Å; F189-F291 HydrophobicContact CE1-CB 4.1Å; F189-F291 HydrophobicContact CE2-CB 3.47Å; F189-F291 VanDerWaalsContact CE2-CB 3.47Å; F189-F291 HydrophobicContact CE2-CD1 4.17Å; F189-F291 HydrophobicContact CE2-CG 4.11Å; F189-F291 HydrophobicContact CG-CB 4.14Å; F189-F291 HydrophobicContact CZ-CB 3.67Å; Y200-F291 HydrophobicContact CE2-CD1 4.19Å; F217-F291 HydrophobicContact CB-CE2 4.19Å; F217-F291 AromaticContact CD1-CE2 3.97Å; F217-F291 HydrophobicContact CD1-CE2 3.97Å; F217-F291 AromaticContact CD1-CZ 3.88Å; F217-F291 HydrophobicContact CD1-CZ 3.88Å; T218-F291 WeakPolarHBondContact O-CD2 3.31Å; L235-F291 HydrophobicContact CD1-CE2 3.67Å; L235-F291 HydrophobicContact CD1-CZ 3.81Å; V271-F291 HydrophobicContact CG1-CZ 4.25Å; V273-F291 HydrophobicContact CG2-CD1 4.28Å; V273-F291 HydrophobicContact CG2-CD2 3.99Å; V273-F291 HydrophobicContact CG2-CE1 4.46Å; V273-F291 HydrophobicContact CG2-CE2 4.18Å; V273-F291 HydrophobicContact CG2-CG 4.07Å; V273-F291 HydrophobicContact CG2-CZ 4.41Å |
| 292 | S | 98.9 | Very high | 96.6 | Very high | 24 Ų | 24 | 58.4 Ų | 58.4 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 157.5 | 178 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | F173 F217 T218 | F173-S292 VanDerWaalsContact O-CA 3.26Å; F173-S292 WeakPolarHBondContact O-CA 3.48Å; F173-S292 WeakPolarHBondContact O-CB 3.32Å; F217-S292 WeakPolarHBondContact CA-O 3.24Å; T218-S292 WeakPolarHBondContact CG2-OG 3.46Å; T218-S292 PolarHBondContact N-O 3.21Å; T218-S292 PolarHBondContact O-N 3.25Å; T218-S292 PolarHBondContact O-OG 3.1Å |
| 293 | G | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | 162.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A172 F173 F216 | A172-G293 CarbonylContact C-O 3.54Å; A172-G293 WeakPolarHBondContact CA-O 3.29Å; F173-G293 WeakPolarHBondContact CD1-O 3.4Å; F173-G293 VanDerWaalsContact CE1-CA 3.49Å; F173-G293 VanDerWaalsContact CE1-N 3.29Å; F173-G293 PolarHBondContact N-O 3.41Å; F173-G293 PolarHBondContact O-N 3.14Å; F173-G293 VanDerWaalsContact O-N 3.11Å; F216-G293 CarbonylContact O-C 3.54Å; F216-G293 WeakPolarHBondContact O-CA 3Å |
| 294 | F | 98.7 | Very high | 96.9 | Very high | 83 Ų | 83 | 63.3 Ų | 63.3 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 156.2 | -179.2 | 53.6 | -89.9 | 0 | 0 | 0 | 111 | I171 A172 Y215 F216 L296 | I171-F294 VanDerWaalsContact O-CA 3.24Å; I171-F294 WeakPolarHBondContact O-CA 3.28Å; I171-F294 WeakPolarHBondContact O-CB 3.12Å; A172-F294 HydrophobicContact CB-CB 3.8Å; Y215-F294 WeakPolarHBondContact CA-O 3.34Å; F216-F294 HydrophobicContact CB-CE1 4.26Å; F216-F294 HydrophobicContact CB-CE2 4.12Å; F216-F294 HydrophobicContact CB-CZ 3.96Å; F216-F294 HydrophobicContact CD1-CD1 4.14Å; F216-F294 AromaticContact CD1-CE1 3.38Å; F216-F294 HydrophobicContact CD1-CE1 3.38Å; F216-F294 AromaticContact CD1-CZ 3.65Å; F216-F294 HydrophobicContact CD1-CZ 3.65Å; F216-F294 HydrophobicContact CE1-CE1 4.1Å; F216-F294 HydrophobicContact CE1-CZ 4.46Å; F216-F294 HydrophobicContact CG-CE1 4.18Å; F216-F294 HydrophobicContact CG-CZ 4.04Å; F216-F294 PolarHBondContact N-O 3Å; F216-F294 PolarHBondContact O-N 3.38Å; F294-L296 HydrophobicContact CD2-CD2 4.24Å; F294-L296 HydrophobicContact CE2-CD2 3.61Å; F294-L296 HydrophobicContact CE2-CG 4.31Å |
| 295 | I | 98.2 | Very high | 97.1 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 133.5 | 172.4 | -167 | 171.3 | 0 | 0 | 0 | 109.8 | Y169 I171 V211 Y215 P298 | Y169-I295 WeakPolarHBondContact O-CG2 3.28Å; I171-I295 HydrophobicContact CB-CB 4.21Å; I171-I295 HydrophobicContact CB-CG2 3.88Å; I171-I295 HydrophobicContact CD1-CD1 4.33Å; I171-I295 HydrophobicContact CG1-CG2 4.44Å; I171-I295 PolarHBondContact O-N 3.41Å; V211-I295 HydrophobicContact CG1-CD1 4.25Å; Y215-I295 HydrophobicContact CD1-CB 3.9Å; Y215-I295 HydrophobicContact CD1-CG1 4.34Å; Y215-I295 HydrophobicContact CE1-CB 3.54Å; Y215-I295 HydrophobicContact CE1-CD1 4.31Å; Y215-I295 HydrophobicContact CE1-CG1 3.93Å; Y215-I295 HydrophobicContact CE2-CD1 4.35Å; Y215-I295 HydrophobicContact CE2-CG1 4.23Å; I295-P298 HydrophobicContact CD1-CB 4.05Å |
| 296 | L | 97.3 | Very high | 97.3 | Very high | 63 Ų | 63 | 56.4 Ų | 56.4 | 33% | 0.33 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -56.8 | 170.2 | -70.9 | 169.6 | 0 | 0 | 0 | 109.7 | I214 F216 V262 F294 | I214-L296 HydrophobicContact CG2-CB 4.37Å; I214-L296 HydrophobicContact CG2-CD1 4.01Å; I214-L296 WeakPolarHBondContact O-CB 3.37Å; I214-L296 PolarHBondContact O-N 3.14Å; F216-L296 HydrophobicContact CB-CD1 4.17Å; F216-L296 HydrophobicContact CB-CG 4.34Å; V262-L296 HydrophobicContact CG1-CD1 4.07Å; V262-L296 HydrophobicContact CG2-CD1 4.4Å; F294-L296 HydrophobicContact CD2-CD2 4.24Å; F294-L296 HydrophobicContact CE2-CD2 3.61Å; F294-L296 HydrophobicContact CE2-CG 4.31Å |
| 297 | Y | 93.7 | Very high | 97.3 | Very high | 158 Ų | 158 | 57.7 Ų | 57.7 | 62% | 0.62 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 128.1 | -178.3 | -47.8 | -67.4 | 0 | 0 | 0 | 109.8 | G213 I214 | G213-Y297 CarbonylContact C-O 3.52Å; G213-Y297 VanDerWaalsContact CA-O 3.26Å; G213-Y297 WeakPolarHBondContact CA-O 3.32Å; I214-Y297 HydrophobicContact CB-CD2 4.48Å; I214-Y297 PolarHBondContact N-O 3.34Å; I214-Y297 PolarHBondContact O-N 3.43Å |
| 298 | P | 95.9 | Very high | 97.3 | Very high | 58 Ų | 58 | 55.9 Ų | 55.9 | 38% | 0.377 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 153.7 | 165.5 | 34.9 | -37.7 | 0 | 0 | 0 | 110.2 | Y169 V211 I295 | Y169-P298 HydrophobicContact CD2-CB 3.51Å; Y169-P298 HydrophobicContact CD2-CG 3.75Å; Y169-P298 HydrophobicContact CE2-CB 3.94Å; Y169-P298 HydrophobicContact CE2-CG 4.31Å; Y169-P298 HydrophobicContact CG-CB 4.35Å; V211-P298 HydrophobicContact CG1-CB 4.2Å; I295-P298 HydrophobicContact CD1-CB 4.05Å |
| 299 | D | 93.3 | Very high | 97.3 | Very high | 149 Ų | 149 | 51.6 Ų | 51.6 | 80% | 0.797 | 26% | 0.258 | S | S | * | . | trans | -70.4 | 0 | 170.4 | -68.6 | -19.8 | 0 | 0 | 0 | 113 | S212 G213 H264 | S212-D299 VanDerWaalsContact CB-OD2 3.25Å; S212-D299 WeakPolarHBondContact CB-OD2 3.36Å; S212-D299 PolarHBondContact O-N 3.12Å; G213-D299 WeakPolarHBondContact CA-OD1 3.26Å; G213-D299 PolarHBondContact N-OD2 3.34Å; H264-D299 IonicContact CD2-OD1 2.94Å; H264-D299 IonicContact CD2-OD2 2.64Å; H264-D299 IonicContact CE1-OD2 3.94Å; H264-D299 IonicContact NE2-OD1 2.69Å; H264-D299 PolarHBondContact NE2-OD1 2.93Å; H264-D299 IonicContact NE2-OD2 3.27Å; H264-D299 PolarHBondContact NE2-OD2 3.01Å |
Retrieved 299 of 299 residues in 114.1 ms
(Link to these results)