| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.5 | Very low | 30.3 | Very low | 231 Ų | 231 | 149.5 Ų | 149.5 | 100% | 1.138 | 81% | 0.809 | S | S | * | * | 0 | 79.1 | 0 | -56.5 | 174.8 | 84.5 | 0 | 0 | 105.9 | |||||
| 2 | S | 30.3 | Very low | 29.7 | Very low | 108 Ų | 108 | 155.3 Ų | 155.3 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | cis | 80.7 | 144.3 | 31.3 | -45.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 3 | Q | 30.2 | Very low | 29.3 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 86.2 | 116 | 178.2 | -54 | -178.9 | 6.7 | 0 | 0 | 113.7 | ||||
| 4 | D | 28.1 | Very low | 29 | Very low | 161 Ų | 161 | 148.9 Ų | 148.9 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | cis | 76 | 137.3 | 30.8 | -58 | -70.2 | 0 | 0 | 0 | 116.2 | ||||
| 5 | G | 29.6 | Very low | 29.1 | Very low | 65 Ų | 65 | 149.5 Ų | 149.5 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | trans | 149 | 93.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 6 | F | 27.7 | Very low | 28.9 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | 62.1 | 136.4 | 86.4 | -87.3 | -87.8 | 0 | 0 | 0 | 113.9 | |||||
| 7 | Q | 30.7 | Very low | 28.8 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | cis | -169.4 | -163.6 | 48 | -120.5 | -158.2 | 1.9 | 0 | 0 | 108.8 | ||||
| 8 | P | 39.5 | Very low | 28.6 | Very low | 87 Ų | 87 | 145.4 Ų | 145.4 | 57% | 0.565 | 77% | 0.768 | S | S | * | * | -142 | 172.1 | -67.3 | 41.6 | -21.6 | 0 | 0 | 0 | 118.8 | |||||
| 9 | T | 25.4 | Very low | 28.6 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | trans | 61.7 | 121.9 | 139.7 | 51.4 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 10 | L | 26.3 | Very low | 28.4 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | 60 | 135.6 | 125.4 | -56 | 170.9 | 0 | 0 | 0 | 120.7 | |||||
| 11 | I | 28.5 | Very low | 28.3 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | -160.4 | 167.5 | 81.6 | -86.7 | 163 | 0 | 0 | 0 | 112.4 | |||||
| 12 | R | 23.1 | Very low | 27.8 | Very low | 219 Ų | 219 | 138 Ų | 138 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | -120.5 | 135.8 | -167.4 | 160.3 | -156.3 | -175.2 | -175.9 | 4.4 | 113.2 | ||||
| 13 | T | 25.3 | Very low | 27.8 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | -174.1 | 118.6 | 145.7 | 18.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 14 | T | 25.1 | Very low | 27.6 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | 51.5 | 130.9 | 103.7 | 65 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 15 | H | 30 | Very low | 27.7 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | cis | -175.5 | 170.2 | 30.9 | -110.3 | -33 | 0 | 0 | 0 | 108.4 | ||||
| 16 | N | 26.8 | Very low | 27.5 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | cis | -164.5 | 174.1 | -12.2 | -139.9 | 20.1 | 0 | 0 | 0 | 112.2 | ||||
| 17 | N | 26.3 | Very low | 27.5 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | trans | 70.3 | 117.8 | 149.2 | -71.7 | -5.1 | 0 | 0 | 0 | 124.6 | ||||
| 18 | N | 25.4 | Very low | 27.4 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | 66.3 | 140.6 | 134.1 | -54.8 | -9.3 | 0 | 0 | 0 | 119.1 | ||||
| 19 | T | 28.2 | Very low | 27 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | cis | -149.7 | 159.8 | 31.1 | -42.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 20 | S | 25.7 | Very low | 27.4 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | trans | -47.9 | 148.8 | -178.6 | 55.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 21 | M | 26.3 | Very low | 28.3 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 89% | 0.892 | 77% | 0.767 | S | S | * | * | -145.4 | 143.5 | 120.7 | -96.1 | -56.7 | 165.2 | 0 | 0 | 110.1 | |||||
| 22 | S | 25.2 | Very low | 29.5 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -69.4 | 133.6 | -167.4 | -66.9 | 0 | 0 | 0 | 0 | 114.2 | Q24 | S22-Q24 PolarHBondContact O-N 2.99Š| ||
| 23 | I | 29.7 | Very low | 31.5 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | -73.1 | 101.5 | 152.2 | -62.8 | 169.5 | 0 | 0 | 0 | 106.8 | Q25 | I23-Q25 HydrophobicContact CG2-CG 4Š| ||
| 24 | Q | 25.8 | Very low | 34.4 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | trans | -94.6 | 89.9 | 156.1 | -85.8 | -176.9 | -22 | 0 | 0 | 108.6 | S22 T26 | S22-Q24 PolarHBondContact O-N 2.99Å; Q24-T26 PolarHBondContact O-N 2.79Å | ||
| 25 | Q | 31.9 | Very low | 37.2 | Very low | 168 Ų | 168 | 123 Ų | 123 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -66.6 | 121.1 | 148 | -77.6 | 175.9 | -22.2 | 0 | 0 | 107.2 | I23 | I23-Q25 HydrophobicContact CG2-CG 4Š| ||
| 26 | T | 24.7 | Very low | 39.9 | Very low | 132 Ų | 132 | 117.8 Ų | 117.8 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | trans | -124.8 | 141.3 | 160.1 | -3.3 | 0 | 0 | 0 | 0 | 108.4 | Q24 | Q24-T26 PolarHBondContact O-N 2.79Š| ||
| 27 | Q | 27.8 | Very low | 42.6 | Very low | 185 Ų | 185 | 116.1 Ų | 116.1 | 86% | 0.864 | 67% | 0.668 | S | S | * | * | trans | -94.7 | 157.9 | -155.5 | -67.4 | 167.7 | -20.4 | 0 | 0 | 113.1 | ||||
| 28 | A | 29.4 | Very low | 45.5 | Very low | 86 Ų | 86 | 112.9 Ų | 112.9 | 71% | 0.711 | 65% | 0.65 | S | S | * | * | trans | -28 | 133.2 | 178 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 29 | P | 29.8 | Very low | 48.4 | Very low | 124 Ų | 124 | 106.1 Ų | 106.1 | 81% | 0.805 | 61% | 0.614 | S | S | * | * | trans | -77.6 | 126.3 | 158.5 | 31.1 | -29.7 | 0 | 0 | 0 | 110.5 | ||||
| 30 | C | 33.5 | Very low | 51.2 | Low | 123 Ų | 123 | 104.4 Ų | 104.4 | 83% | 0.831 | 60% | 0.597 | S | S | * | * | trans | -71.5 | 159.7 | 175.8 | -87.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 31 | P | 44.9 | Very low | 54 | Low | 127 Ų | 127 | 103.4 Ų | 103.4 | 83% | 0.825 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -106.5 | 153.6 | -132.7 | 37.5 | -35.7 | 0 | 0 | 0 | 115.4 | ||
| 32 | G | 54.8 | Low | 56.8 | Low | 70 Ų | 70 | 97.9 Ų | 97.9 | 72% | 0.722 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 149.4 | -41.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 33 | K | 64.3 | Low | 59.7 | Low | 132 Ų | 132 | 93 Ų | 93 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | trans | -88.3 | 129.3 | 178.2 | -70.3 | -173.5 | 177.3 | -177.1 | 0 | 110.8 | I38 E41 | K33-I38 HydrophobicContact CB-CD1 4.49Å; K33-I38 HydrophobicContact CB-CG1 4.09Å; K33-E41 IonicContact NZ-OE2 2.79Å; K33-E41 PolarHBondContact NZ-OE2 3.2Å | ||
| 34 | T | 86.2 | Confident | 62.3 | Low | 48 Ų | 48 | 89.6 Ų | 89.6 | 29% | 0.294 | 50% | 0.504 | S | S | . | . | trans | -76.9 | 152.9 | 171.1 | 59.3 | 0 | 0 | 0 | 0 | 111 | I36 Q37 I38 | T34-I36 PolarHBondContact O-N 2.9Å; T34-I36 VanDerWaalsContact O-N 3.14Å; T34-Q37 WeakPolarHBondContact O-CA 3.46Å; T34-Q37 WeakPolarHBondContact O-CB 3.34Å; T34-Q37 PolarHBondContact O-N 3.39Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.36Å; T34-Q37 PolarHBondContact OG1-N 2.88Å; T34-Q37 PolarHBondContact OG1-OE1 3.3Å; T34-I38 PolarHBondContact O-N 3.19Å; T34-I38 VanDerWaalsContact O-N 3.14Å | ||
| 35 | P | 84.8 | Confident | 64.8 | Low | 19 Ų | 19 | 88.6 Ų | 88.6 | 12% | 0.123 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -51 | -37.7 | 173.2 | -30.5 | 38.3 | 0 | 0 | 0 | 113 | Q37 I38 L39 H89 A92 E93 L96 | P35-Q37 VanDerWaalsContact C-N 3.28Å; P35-Q37 PolarHBondContact O-N 3.29Å; P35-I38 PolarHBondContact O-N 2.94Å; P35-L39 VanDerWaalsContact O-CB 3.23Å; P35-L39 WeakPolarHBondContact O-CB 3.3Å; P35-L39 PolarHBondContact O-N 2.83Å; P35-H89 WeakPolarHBondContact CD-CE1 3.29Å; P35-H89 WeakPolarHBondContact CD-NE2 3.49Å; P35-A92 HydrophobicContact CB-CB 4.05Å; P35-E93 HydrophobicContact CB-CB 4.19Å; P35-E93 HydrophobicContact CG-CB 4.3Å; P35-L96 HydrophobicContact CB-CD1 3.85Å |
| 36 | I | 86.3 | Confident | 67.1 | Low | 49 Ų | 49 | 84 Ų | 84 | 25% | 0.251 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.6 | -40.1 | 174.7 | -57.8 | 174 | 0 | 0 | 0 | 111.8 | T34 H40 Y52 K88 H89 A92 | T34-I36 PolarHBondContact O-N 2.9Å; T34-I36 VanDerWaalsContact O-N 3.14Å; I36-H40 VanDerWaalsContact O-CB 3.32Å; I36-H40 WeakPolarHBondContact O-CB 3.28Å; I36-H40 PolarHBondContact O-N 3Å; I36-H40 VanDerWaalsContact O-N 3.12Å; I36-Y52 HydrophobicContact CG2-CE2 4.42Å; I36-K88 HydrophobicContact CD1-CB 3.97Å; I36-H89 HydrophobicContact CD1-CB 4.38Å; I36-A92 HydrophobicContact CB-CB 4.41Å; I36-A92 HydrophobicContact CG1-CB 3.82Å |
| 37 | Q | 83.7 | Confident | 69.7 | Low | 82 Ų | 82 | 80.8 Ų | 80.8 | 38% | 0.383 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.7 | -42.1 | 178.5 | -73.2 | 162.7 | -61.1 | 0 | 0 | 112.2 | T34 P35 L39 H40 E41 | T34-Q37 WeakPolarHBondContact O-CA 3.46Å; T34-Q37 WeakPolarHBondContact O-CB 3.34Å; T34-Q37 PolarHBondContact O-N 3.39Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.36Å; T34-Q37 PolarHBondContact OG1-N 2.88Å; T34-Q37 PolarHBondContact OG1-OE1 3.3Å; P35-Q37 VanDerWaalsContact C-N 3.28Å; P35-Q37 PolarHBondContact O-N 3.29Å; Q37-L39 VanDerWaalsContact C-N 3.3Å; Q37-L39 PolarHBondContact O-N 2.97Å; Q37-H40 PolarHBondContact O-N 2.87Å; Q37-E41 WeakPolarHBondContact O-CB 3.2Å; Q37-E41 PolarHBondContact O-N 2.92Å |
| 38 | I | 86.3 | Confident | 72.5 | Confident | 48 Ų | 48 | 75.8 Ų | 75.8 | 25% | 0.246 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 177.8 | -58.1 | 171.5 | 0 | 0 | 0 | 109.5 | K33 T34 P35 H40 E41 Y42 L96 | K33-I38 HydrophobicContact CB-CD1 4.49Å; K33-I38 HydrophobicContact CB-CG1 4.09Å; T34-I38 PolarHBondContact O-N 3.19Å; T34-I38 VanDerWaalsContact O-N 3.14Å; P35-I38 PolarHBondContact O-N 2.94Å; I38-H40 PolarHBondContact O-N 2.95Å; I38-E41 WeakPolarHBondContact O-CB 3.33Å; I38-E41 PolarHBondContact O-N 2.83Å; I38-Y42 PolarHBondContact O-N 2.87Å; I38-L96 HydrophobicContact CB-CD1 3.92Å; I38-L96 HydrophobicContact CB-CD2 4.24Å; I38-L96 HydrophobicContact CD1-CD1 4.43Å; I38-L96 HydrophobicContact CG2-CD1 4Å; I38-L96 HydrophobicContact CG2-CD2 3.71Å |
| 39 | L | 87 | Confident | 75.2 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.9 | -33.6 | -179.9 | -165.8 | 67.4 | 0 | 0 | 0 | 112.9 | P35 Q37 G43 P50 V70 I72 A92 A95 L96 L99 | P35-L39 VanDerWaalsContact O-CB 3.23Å; P35-L39 WeakPolarHBondContact O-CB 3.3Å; P35-L39 PolarHBondContact O-N 2.83Å; Q37-L39 VanDerWaalsContact C-N 3.3Å; Q37-L39 PolarHBondContact O-N 2.97Å; L39-G43 PolarHBondContact O-N 2.91Å; L39-P50 HydrophobicContact CG-CB 4.49Å; L39-V70 HydrophobicContact CD2-CG1 4.35Å; L39-V70 HydrophobicContact CD2-CG2 4.08Å; L39-I72 HydrophobicContact CD1-CD1 3.28Å; L39-I72 HydrophobicContact CD2-CD1 3.58Å; L39-I72 HydrophobicContact CG-CD1 3.31Å; L39-A92 HydrophobicContact CD2-CB 3.74Å; L39-A95 HydrophobicContact CD1-CB 3.91Å; L39-A95 HydrophobicContact CD2-CB 3.7Å; L39-A95 HydrophobicContact CG-CB 4.48Å; L39-L96 HydrophobicContact CB-CD2 3.98Å; L39-L96 HydrophobicContact CB-CG 4.2Å; L39-L96 HydrophobicContact CD1-CD2 3.61Å; L39-L96 HydrophobicContact CD1-CG 3.92Å; L39-L96 HydrophobicContact CG-CD2 4.42Å; L39-L99 HydrophobicContact CD1-CD1 4.08Å |
| 40 | H | 86.9 | Confident | 78 | Confident | 96 Ų | 96 | 71 Ų | 71 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 171.9 | -173.3 | 76.2 | 0 | 0 | 0 | 112.2 | I36 Q37 I38 G43 T44 P50 | I36-H40 VanDerWaalsContact O-CB 3.32Å; I36-H40 WeakPolarHBondContact O-CB 3.28Å; I36-H40 PolarHBondContact O-N 3Å; I36-H40 VanDerWaalsContact O-N 3.12Å; Q37-H40 PolarHBondContact O-N 2.87Å; I38-H40 PolarHBondContact O-N 2.95Å; H40-G43 PolarHBondContact O-N 2.82Å; H40-T44 WeakPolarHBondContact O-CB 3.3Å; H40-T44 PolarHBondContact O-N 2.99Å; H40-T44 PolarHBondContact O-OG1 2.91Å; H40-P50 HydrophobicContact CB-CG 4.18Å |
| 41 | E | 85.7 | Confident | 80.7 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 35% | 0.35 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 174.4 | -163.7 | -170.4 | 128.3 | 0 | 0 | 111 | K33 Q37 I38 T44 K45 | K33-E41 IonicContact NZ-OE2 2.79Å; K33-E41 PolarHBondContact NZ-OE2 3.2Å; Q37-E41 WeakPolarHBondContact O-CB 3.2Å; Q37-E41 PolarHBondContact O-N 2.92Å; I38-E41 WeakPolarHBondContact O-CB 3.33Å; I38-E41 PolarHBondContact O-N 2.83Å; E41-T44 PolarHBondContact O-N 2.75Å; E41-K45 WeakPolarHBondContact O-CG 3.16Å; E41-K45 PolarHBondContact O-N 3.46Å; E41-K45 WeakPolarHBondContact OE1-CE 3.28Å; E41-K45 IonicContact OE1-NZ 2.56Å; E41-K45 PolarHBondContact OE1-NZ 2.98Å |
| 42 | Y | 84.2 | Confident | 82.9 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 26% | 0.255 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.9 | -52.8 | 173.2 | 178.5 | -97.5 | 0 | 0 | 0 | 112 | I38 T44 K45 I46 L99 I101 | I38-Y42 PolarHBondContact O-N 2.87Å; Y42-T44 PolarHBondContact O-N 2.93Å; Y42-K45 WeakPolarHBondContact O-CA 3.42Å; Y42-K45 WeakPolarHBondContact O-CB 3.49Å; Y42-K45 PolarHBondContact O-N 2.86Å; Y42-I46 HydrophobicContact CD1-CD1 4.11Å; Y42-I46 HydrophobicContact CD1-CG1 4.31Å; Y42-I46 HydrophobicContact CE1-CD1 3.57Å; Y42-I46 HydrophobicContact CE1-CG1 4.11Å; Y42-I46 HydrophobicContact CE1-CG2 4.08Å; Y42-I46 HydrophobicContact CE2-CG2 4.11Å; Y42-I46 PolarHBondContact O-N 2.97Å; Y42-L99 HydrophobicContact CD1-CD1 4.1Å; Y42-L99 HydrophobicContact CE1-CD1 3.73Å; Y42-L99 HydrophobicContact CE1-CD2 4.35Å; Y42-I101 HydrophobicContact CD1-CD1 3.68Å; Y42-I101 HydrophobicContact CD2-CD1 3.34Å; Y42-I101 HydrophobicContact CD2-CG1 3.95Å; Y42-I101 HydrophobicContact CE1-CD1 3.89Å; Y42-I101 HydrophobicContact CE2-CD1 3.56Å; Y42-I101 HydrophobicContact CE2-CG1 3.92Å; Y42-I101 HydrophobicContact CG-CD1 3.39Å; Y42-I101 HydrophobicContact CG-CG1 4.46Å |
| 43 | G | 85.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.1 | -34.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L39 H40 G47 N48 | L39-G43 PolarHBondContact O-N 2.91Å; H40-G43 PolarHBondContact O-N 2.82Å; G43-G47 CarbonylContact O-C 3.54Å; G43-G47 PolarHBondContact O-N 2.86Å; G43-G47 VanDerWaalsContact O-N 3.11Å; G43-N48 CarbonylContact C-O 3.57Å; G43-N48 WeakPolarHBondContact CA-O 3.45Å; G43-N48 CarbonylContact O-C 3.53Å; G43-N48 PolarHBondContact O-N 3.16Å |
| 44 | T | 84.4 | Confident | 85.9 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 174.3 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | H40 E41 Y42 G47 L49 | H40-T44 WeakPolarHBondContact O-CB 3.3Å; H40-T44 PolarHBondContact O-N 2.99Å; H40-T44 PolarHBondContact O-OG1 2.91Å; E41-T44 PolarHBondContact O-N 2.75Å; Y42-T44 PolarHBondContact O-N 2.93Å; T44-G47 PolarHBondContact O-N 2.98Å; T44-L49 WeakPolarHBondContact OG1-CD2 3.44Å |
| 45 | K | 79.6 | Confident | 86.1 | Confident | 150 Ų | 150 | 65.9 Ų | 65.9 | 65% | 0.652 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -69.2 | -34.3 | 178 | -69.4 | 169 | -172.4 | 168.2 | 0 | 112.9 | E41 Y42 | E41-K45 WeakPolarHBondContact O-CG 3.16Å; E41-K45 PolarHBondContact O-N 3.46Å; E41-K45 WeakPolarHBondContact OE1-CE 3.28Å; E41-K45 IonicContact OE1-NZ 2.56Å; E41-K45 PolarHBondContact OE1-NZ 2.98Å; Y42-K45 WeakPolarHBondContact O-CA 3.42Å; Y42-K45 WeakPolarHBondContact O-CB 3.49Å; Y42-K45 PolarHBondContact O-N 2.86Å |
| 46 | I | 79.7 | Confident | 86.2 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 0.8 | 178.6 | 65.3 | 157.6 | 0 | 0 | 0 | 114 | Y42 N48 I72 | Y42-I46 HydrophobicContact CD1-CD1 4.11Å; Y42-I46 HydrophobicContact CD1-CG1 4.31Å; Y42-I46 HydrophobicContact CE1-CD1 3.57Å; Y42-I46 HydrophobicContact CE1-CG1 4.11Å; Y42-I46 HydrophobicContact CE1-CG2 4.08Å; Y42-I46 HydrophobicContact CE2-CG2 4.11Å; Y42-I46 PolarHBondContact O-N 2.97Å; I46-N48 HydrophobicContact CD1-CB 3.95Å; I46-N48 HydrophobicContact CG1-CB 4.19Å; I46-N48 PolarHBondContact O-N 3.48Å; I46-I72 HydrophobicContact CD1-CG2 3.73Å |
| 47 | G | 79.7 | Confident | 86.3 | Confident | 64 Ų | 64 | 71.2 Ų | 71.2 | 66% | 0.66 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | -1.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G43 T44 | G43-G47 CarbonylContact O-C 3.54Å; G43-G47 PolarHBondContact O-N 2.86Å; G43-G47 VanDerWaalsContact O-N 3.11Å; T44-G47 PolarHBondContact O-N 2.98Å |
| 48 | N | 85.6 | Confident | 86.4 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 43% | 0.428 | 38% | 0.381 | S | S | . | . | trans | -115.5 | 97.1 | -178.7 | -72.8 | -30.9 | 0 | 0 | 0 | 110.4 | G43 I46 | G43-N48 CarbonylContact C-O 3.57Å; G43-N48 WeakPolarHBondContact CA-O 3.45Å; G43-N48 CarbonylContact O-C 3.53Å; G43-N48 PolarHBondContact O-N 3.16Å; I46-N48 HydrophobicContact CD1-CB 3.95Å; I46-N48 HydrophobicContact CG1-CB 4.19Å; I46-N48 PolarHBondContact O-N 3.48Å | ||
| 49 | L | 85.7 | Confident | 86.3 | Confident | 95 Ų | 95 | 72 Ų | 72 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 142.4 | -178.7 | -66.3 | 176.4 | 0 | 0 | 0 | 112.6 | T44 V51 | T44-L49 WeakPolarHBondContact OG1-CD2 3.44Å; L49-V51 PolarHBondContact O-N 3.11Å |
| 50 | P | 88.4 | Confident | 86.1 | Confident | 15 Ų | 15 | 78.3 Ų | 78.3 | 10% | 0.097 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 120.2 | 178 | 25.3 | -34.6 | 0 | 0 | 0 | 112.9 | L39 H40 Y52 V70 T71 I72 | L39-P50 HydrophobicContact CG-CB 4.49Å; H40-P50 HydrophobicContact CB-CG 4.18Å; P50-Y52 HydrophobicContact CB-CD2 4.47Å; P50-Y52 HydrophobicContact CB-CE2 3.81Å; P50-Y52 HydrophobicContact CG-CE2 4.13Å; P50-V70 HydrophobicContact CB-CG2 3.75Å; P50-T71 WeakPolarHBondContact CA-O 3.37Å; P50-I72 HydrophobicContact CB-CD1 3.89Å; P50-I72 HydrophobicContact CB-CG1 3.62Å |
| 51 | V | 90.4 | Very high | 85.6 | Confident | 86 Ų | 86 | 79 Ų | 79 | 52% | 0.521 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.7 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | L49 V53 V70 T71 | L49-V51 PolarHBondContact O-N 3.11Å; V51-V53 HydrophobicContact CG1-CG2 4.24Å; V51-V70 CarbonylContact O-C 3.32Å; V51-V70 VanDerWaalsContact O-CA 3.3Å; V51-V70 WeakPolarHBondContact O-CA 3.49Å; V51-T71 PolarHBondContact N-O 3.06Å; V51-T71 PolarHBondContact O-N 3.18Å |
| 52 | Y | 91.2 | Very high | 85.3 | Confident | 49 Ų | 49 | 82.8 Ų | 82.8 | 19% | 0.192 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 112.7 | 179.2 | -66.6 | -95 | 0 | 0 | 0 | 111.7 | I36 P50 N69 V70 K88 A92 | I36-Y52 HydrophobicContact CG2-CE2 4.42Å; P50-Y52 HydrophobicContact CB-CD2 4.47Å; P50-Y52 HydrophobicContact CB-CE2 3.81Å; P50-Y52 HydrophobicContact CG-CE2 4.13Å; Y52-N69 CarbonylContact C-O 3.56Å; Y52-N69 WeakPolarHBondContact CA-O 3.33Å; Y52-V70 HydrophobicContact CD1-CB 3.78Å; Y52-V70 HydrophobicContact CD1-CG2 3.81Å; Y52-V70 HydrophobicContact CD2-CG2 4.25Å; Y52-V70 HydrophobicContact CE1-CB 3.74Å; Y52-V70 HydrophobicContact CE1-CG2 3.56Å; Y52-V70 HydrophobicContact CE2-CG2 4.02Å; Y52-V70 HydrophobicContact CG-CB 4.44Å; Y52-V70 HydrophobicContact CG-CG2 4.16Å; Y52-K88 HydrophobicContact CD1-CB 4.33Å; Y52-K88 HydrophobicContact CD1-CD 4.46Å; Y52-K88 HydrophobicContact CD1-CG 4.08Å; Y52-K88 HydrophobicContact CE1-CB 4.46Å; Y52-A92 HydrophobicContact CE1-CB 4.18Å; Y52-A92 WeakPolarHBondContact OH-CB 3.41Å |
| 53 | V | 91.1 | Very high | 85 | Confident | 77 Ų | 77 | 86.8 Ų | 86.8 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.7 | 177.3 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | V51 F68 N69 | V51-V53 HydrophobicContact CG1-CG2 4.24Å; V53-F68 CarbonylContact O-C 3.2Å; V53-F68 WeakPolarHBondContact O-CA 3.37Å; V53-F68 WeakPolarHBondContact O-CD1 3.23Å; V53-N69 PolarHBondContact N-O 3.05Å; V53-N69 PolarHBondContact O-N 3.44Å |
| 54 | M | 91.3 | Very high | 85 | Confident | 78 Ų | 78 | 89.1 Ų | 89.1 | 38% | 0.384 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 116.3 | 170.4 | -172.3 | -173.3 | -56.5 | 0 | 0 | 108.2 | A57 F68 K84 | M54-A57 HydrophobicContact SD-CB 4.33Å; M54-F68 HydrophobicContact CB-CD1 4.26Å; M54-F68 HydrophobicContact CB-CE1 3.7Å; M54-F68 HydrophobicContact CB-CE2 4.11Å; M54-F68 HydrophobicContact CB-CZ 3.65Å; M54-F68 HydrophobicContact CE-CE1 4.5Å; M54-F68 HydrophobicContact CE-CE2 3.84Å; M54-F68 HydrophobicContact CE-CZ 3.49Å; M54-F68 VanDerWaalsContact CE-CZ 3.49Å; M54-F68 HydrophobicContact CG-CD2 4.42Å; M54-F68 HydrophobicContact CG-CE1 4.42Å; M54-F68 HydrophobicContact CG-CE2 3.91Å; M54-F68 HydrophobicContact CG-CZ 3.92Å; M54-K84 HydrophobicContact CE-CD 3.63Å; M54-K84 HydrophobicContact CE-CG 4.09Å |
| 55 | E | 90.7 | Very high | 85.3 | Confident | 101 Ų | 101 | 86.4 Ų | 86.4 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -43.8 | 179.1 | -67 | -171.1 | 159.7 | 0 | 0 | 111.6 | I67 N69 | E55-I67 HydrophobicContact CB-CG2 4.45Å; E55-I67 PolarHBondContact N-O 3.45Å; E55-N69 HydrophobicContact CG-CB 3.89Å; E55-N69 VanDerWaalsContact OE1-CB 3.29Å; E55-N69 WeakPolarHBondContact OE1-CB 3.44Å; E55-N69 PolarHBondContact OE1-ND2 3.4Å |
| 56 | K | 86.1 | Confident | 85.9 | Confident | 114 Ų | 114 | 81 Ų | 81 | 50% | 0.496 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 148.9 | -178.2 | -60.1 | -175.1 | -178.6 | 178 | 0 | 112.4 | I67 | K56-I67 HydrophobicContact CB-CB 4.22Å; K56-I67 HydrophobicContact CB-CD1 4.31Å; K56-I67 HydrophobicContact CD-CD1 4.24Å; K56-I67 PolarHBondContact N-O 2.97Å; K56-I67 PolarHBondContact O-N 2.92Å |
| 57 | A | 89.1 | Confident | 86.4 | Confident | 66 Ų | 66 | 78.9 Ų | 78.9 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 108 | 164.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | M54 S65 F66 | M54-A57 HydrophobicContact SD-CB 4.33Å; A57-S65 WeakPolarHBondContact CA-O 3.43Å; A57-F66 HydrophobicContact CB-CD1 3.72Å; A57-F66 HydrophobicContact CB-CE1 3.83Å |
| 58 | E | 85.6 | Confident | 87.1 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 42% | 0.416 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 179.5 | -171.7 | 63.5 | -167.4 | 175.9 | 0 | 0 | 110.3 | S65 I67 | E58-S65 PolarHBondContact N-O 3.45Å; E58-S65 WeakPolarHBondContact O-CA 3.38Å; E58-S65 PolarHBondContact O-N 3.43Å; E58-I67 WeakPolarHBondContact OE1-CD1 3.43Å |
| 59 | G | 84.6 | Confident | 87.4 | Confident | 59 Ų | 59 | 73.7 Ų | 73.7 | 61% | 0.608 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 90.8 | 167.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 60 | E | 82.1 | Confident | 87.7 | Confident | 132 Ų | 132 | 69.2 Ų | 69.2 | 62% | 0.617 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 160.3 | -173.2 | -58.2 | -168.4 | 137.8 | 0 | 0 | 111.5 | H62 Q63 P64 | E60-H62 PolarHBondContact O-N 3.45Å; E60-H62 IonicContact OE2-CE1 2.97Å; E60-H62 PolarHBondContact OE2-CE1 3.13Å; E60-H62 IonicContact OE2-ND1 3.85Å; E60-H62 IonicContact OE2-NE2 2.64Å; E60-Q63 PolarHBondContact N-O 3.12Å; E60-Q63 CarbonylContact O-C 3.57Å; E60-Q63 PolarHBondContact O-N 3.29Å; E60-P64 VanDerWaalsContact O-N 3.12Å |
| 61 | A | 75.6 | Confident | 87.8 | Confident | 111 Ų | 111 | 71 Ų | 71 | 92% | 0.917 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 62 | H | 80.2 | Confident | 87.7 | Confident | 153 Ų | 153 | 67.2 Ų | 67.2 | 71% | 0.708 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -10.6 | 176.5 | 69.4 | -96.9 | 0 | 0 | 0 | 113.9 | E60 | E60-H62 PolarHBondContact O-N 3.45Å; E60-H62 IonicContact OE2-CE1 2.97Å; E60-H62 PolarHBondContact OE2-CE1 3.13Å; E60-H62 IonicContact OE2-ND1 3.85Å; E60-H62 IonicContact OE2-NE2 2.64Å |
| 63 | Q | 78.8 | Confident | 87.3 | Confident | 149 Ų | 149 | 66.5 Ų | 66.5 | 70% | 0.696 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 68.8 | 174.9 | -168.8 | 174.4 | 81.6 | 0 | 0 | 110.2 | E60 | E60-Q63 PolarHBondContact N-O 3.12Å; E60-Q63 CarbonylContact O-C 3.57Å; E60-Q63 PolarHBondContact O-N 3.29Å |
| 64 | P | 85.9 | Confident | 86.9 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 147.2 | 178.7 | 30.6 | -35.9 | 0 | 0 | 0 | 110.8 | E60 F66 S82 | E60-P64 VanDerWaalsContact O-N 3.12Å; P64-F66 HydrophobicContact CB-CE2 3.9Å; P64-F66 HydrophobicContact CB-CZ 4.2Å; P64-F66 HydrophobicContact CG-CE2 4.33Å; P64-S82 VanDerWaalsContact O-CA 3.32Å; P64-S82 WeakPolarHBondContact O-CA 3.41Å |
| 65 | S | 89.4 | Confident | 86.5 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 18% | 0.175 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 125.9 | -179.1 | -167.7 | 0 | 0 | 0 | 0 | 110.2 | A57 E58 Q80 | A57-S65 WeakPolarHBondContact CA-O 3.43Å; E58-S65 PolarHBondContact N-O 3.45Å; E58-S65 WeakPolarHBondContact O-CA 3.38Å; E58-S65 PolarHBondContact O-N 3.43Å; S65-Q80 WeakPolarHBondContact OG-CG 3.05Å; S65-Q80 PolarHBondContact OG-NE2 3.31Å |
| 66 | F | 92.1 | Very high | 86.4 | Confident | 36 Ų | 36 | 68 Ų | 68 | 16% | 0.158 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.8 | 179.9 | -58.8 | -85.6 | 0 | 0 | 0 | 109.3 | A57 P64 Q80 G81 K84 A87 | A57-F66 HydrophobicContact CB-CD1 3.72Å; A57-F66 HydrophobicContact CB-CE1 3.83Å; P64-F66 HydrophobicContact CB-CE2 3.9Å; P64-F66 HydrophobicContact CB-CZ 4.2Å; P64-F66 HydrophobicContact CG-CE2 4.33Å; F66-Q80 CarbonylContact O-C 3.56Å; F66-Q80 VanDerWaalsContact O-CA 3.28Å; F66-Q80 WeakPolarHBondContact O-CA 3.35Å; F66-G81 PolarHBondContact N-O 3.36Å; F66-G81 PolarHBondContact O-N 3.07Å; F66-K84 HydrophobicContact CD1-CG 3.68Å; F66-K84 HydrophobicContact CD2-CG 4.38Å; F66-K84 HydrophobicContact CE1-CD 4.44Å; F66-K84 HydrophobicContact CE1-CG 3.9Å; F66-K84 HydrophobicContact CG-CG 3.94Å; F66-K84 HydrophobicContact CZ-CG 4.33Å; F66-A87 HydrophobicContact CB-CB 3.94Å; F66-A87 WeakPolarHBondContact O-CB 3.24Å |
| 67 | I | 91 | Very high | 86.7 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 14% | 0.144 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.9 | 174.6 | -61 | 172.4 | 0 | 0 | 0 | 108.1 | E55 K56 E58 G79 Q80 | E55-I67 HydrophobicContact CB-CG2 4.45Å; E55-I67 PolarHBondContact N-O 3.45Å; K56-I67 HydrophobicContact CB-CB 4.22Å; K56-I67 HydrophobicContact CB-CD1 4.31Å; K56-I67 HydrophobicContact CD-CD1 4.24Å; K56-I67 PolarHBondContact N-O 2.97Å; K56-I67 PolarHBondContact O-N 2.92Å; E58-I67 WeakPolarHBondContact OE1-CD1 3.43Å; I67-G79 WeakPolarHBondContact CA-O 3.46Å; I67-Q80 HydrophobicContact CG1-CB 4.24Å; I67-Q80 HydrophobicContact CG1-CG 3.89Å |
| 68 | F | 94.6 | Very high | 86.8 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.035 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141.9 | 174.9 | -90.9 | -93.6 | 0 | 0 | 0 | 110.2 | V53 M54 T78 G79 K84 A87 K88 A91 | V53-F68 CarbonylContact O-C 3.2Å; V53-F68 WeakPolarHBondContact O-CA 3.37Å; V53-F68 WeakPolarHBondContact O-CD1 3.23Å; M54-F68 HydrophobicContact CB-CD1 4.26Å; M54-F68 HydrophobicContact CB-CE1 3.7Å; M54-F68 HydrophobicContact CB-CE2 4.11Å; M54-F68 HydrophobicContact CB-CZ 3.65Å; M54-F68 HydrophobicContact CE-CE1 4.5Å; M54-F68 HydrophobicContact CE-CE2 3.84Å; M54-F68 HydrophobicContact CE-CZ 3.49Å; M54-F68 VanDerWaalsContact CE-CZ 3.49Å; M54-F68 HydrophobicContact CG-CD2 4.42Å; M54-F68 HydrophobicContact CG-CE1 4.42Å; M54-F68 HydrophobicContact CG-CE2 3.91Å; M54-F68 HydrophobicContact CG-CZ 3.92Å; F68-T78 CarbonylContact O-C 3.39Å; F68-T78 VanDerWaalsContact O-CA 3.3Å; F68-T78 WeakPolarHBondContact O-CA 3.19Å; F68-G79 PolarHBondContact N-O 3.49Å; F68-G79 PolarHBondContact O-N 2.94Å; F68-K84 HydrophobicContact CE2-CB 3.98Å; F68-K84 HydrophobicContact CE2-CG 4.19Å; F68-K84 HydrophobicContact CZ-CB 4.42Å; F68-A87 HydrophobicContact CB-CB 4.38Å; F68-A87 HydrophobicContact CD2-CB 3.73Å; F68-A87 HydrophobicContact CG-CB 4.49Å; F68-K88 HydrophobicContact CB-CG 4.26Å; F68-K88 HydrophobicContact CD1-CD 4.29Å; F68-K88 HydrophobicContact CD1-CG 3.63Å; F68-K88 HydrophobicContact CD2-CG 4.04Å; F68-K88 HydrophobicContact CE1-CD 4.14Å; F68-K88 HydrophobicContact CE1-CG 3.92Å; F68-K88 HydrophobicContact CE2-CG 4.27Å; F68-K88 HydrophobicContact CG-CG 3.69Å; F68-K88 HydrophobicContact CZ-CD 4.41Å; F68-K88 HydrophobicContact CZ-CG 4.2Å; F68-A91 HydrophobicContact CB-CB 4.41Å |
| 69 | N | 91.1 | Very high | 87.2 | Confident | 26 Ų | 26 | 59.9 Ų | 59.9 | 14% | 0.139 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.4 | 168.3 | -169.6 | -10.5 | 0 | 0 | 0 | 108.5 | Y52 V53 E55 C77 T78 | Y52-N69 CarbonylContact C-O 3.56Å; Y52-N69 WeakPolarHBondContact CA-O 3.33Å; V53-N69 PolarHBondContact N-O 3.05Å; V53-N69 PolarHBondContact O-N 3.44Å; E55-N69 HydrophobicContact CG-CB 3.89Å; E55-N69 VanDerWaalsContact OE1-CB 3.29Å; E55-N69 WeakPolarHBondContact OE1-CB 3.44Å; E55-N69 PolarHBondContact OE1-ND2 3.4Å; N69-C77 CarbonylContact C-O 3.15Å; N69-C77 WeakPolarHBondContact CA-O 3.37Å; N69-C77 PolarHBondContact OD1-O 3.43Å; N69-T78 HydrophobicContact CB-CG2 4.07Å |
| 70 | V | 93.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 130.9 | 170.9 | 66.3 | 0 | 0 | 0 | 0 | 109.5 | L39 P50 V51 Y52 I72 S76 C77 A91 A95 | L39-V70 HydrophobicContact CD2-CG1 4.35Å; L39-V70 HydrophobicContact CD2-CG2 4.08Å; P50-V70 HydrophobicContact CB-CG2 3.75Å; V51-V70 CarbonylContact O-C 3.32Å; V51-V70 VanDerWaalsContact O-CA 3.3Å; V51-V70 WeakPolarHBondContact O-CA 3.49Å; Y52-V70 HydrophobicContact CD1-CB 3.78Å; Y52-V70 HydrophobicContact CD1-CG2 3.81Å; Y52-V70 HydrophobicContact CD2-CG2 4.25Å; Y52-V70 HydrophobicContact CE1-CB 3.74Å; Y52-V70 HydrophobicContact CE1-CG2 3.56Å; Y52-V70 HydrophobicContact CE2-CG2 4.02Å; Y52-V70 HydrophobicContact CG-CB 4.44Å; Y52-V70 HydrophobicContact CG-CG2 4.16Å; V70-I72 HydrophobicContact CG2-CD1 4.37Å; V70-I72 HydrophobicContact CG2-CG1 4.46Å; V70-S76 CarbonylContact O-C 3.55Å; V70-S76 VanDerWaalsContact O-CA 3.28Å; V70-S76 WeakPolarHBondContact O-CA 3.42Å; V70-C77 HydrophobicContact CG1-CB 4.1Å; V70-C77 PolarHBondContact N-O 3.49Å; V70-C77 PolarHBondContact O-N 2.95Å; V70-A91 HydrophobicContact CB-CB 4.38Å; V70-A91 HydrophobicContact CG1-CB 4.07Å; V70-A91 VanDerWaalsContact CG1-O 3.23Å; V70-A91 WeakPolarHBondContact CG1-O 3.32Å; V70-A95 HydrophobicContact CG1-CB 3.74Å |
| 71 | T | 89.9 | Confident | 88 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.1 | 179.1 | -45.3 | 0 | 0 | 0 | 0 | 110.8 | P50 V51 V75 | P50-T71 WeakPolarHBondContact CA-O 3.37Å; V51-T71 PolarHBondContact N-O 3.06Å; V51-T71 PolarHBondContact O-N 3.18Å; T71-V75 CarbonylContact C-O 3.58Å; T71-V75 WeakPolarHBondContact CA-O 3.32Å |
| 72 | I | 87.3 | Confident | 88.5 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 107.3 | -177.2 | -64.9 | 160.3 | 0 | 0 | 0 | 108.6 | L39 I46 P50 V70 D74 V75 A95 L99 | L39-I72 HydrophobicContact CD1-CD1 3.28Å; L39-I72 HydrophobicContact CD2-CD1 3.58Å; L39-I72 HydrophobicContact CG-CD1 3.31Å; I46-I72 HydrophobicContact CD1-CG2 3.73Å; P50-I72 HydrophobicContact CB-CD1 3.89Å; P50-I72 HydrophobicContact CB-CG1 3.62Å; V70-I72 HydrophobicContact CG2-CD1 4.37Å; V70-I72 HydrophobicContact CG2-CG1 4.46Å; I72-D74 PolarHBondContact O-N 3.28Å; I72-V75 PolarHBondContact N-O 3.39Å; I72-V75 PolarHBondContact O-N 3.3Å; I72-A95 HydrophobicContact CD1-CB 4.4Å; I72-L99 HydrophobicContact CD1-CD1 4.48Å |
| 73 | G | 83.5 | Confident | 88.9 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | -124.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 74 | D | 82.6 | Confident | 89.3 | Confident | 176 Ų | 176 | 48.9 Ų | 48.9 | 94% | 0.941 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -4 | 179.9 | -52.3 | -56.9 | 0 | 0 | 0 | 114 | I72 | I72-D74 PolarHBondContact O-N 3.28Š|
| 75 | V | 83.1 | Confident | 89.4 | Confident | 36 Ų | 36 | 54.2 Ų | 54.2 | 22% | 0.218 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129.7 | -179.1 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | T71 I72 L98 L99 | T71-V75 CarbonylContact C-O 3.58Å; T71-V75 WeakPolarHBondContact CA-O 3.32Å; I72-V75 PolarHBondContact N-O 3.39Å; I72-V75 PolarHBondContact O-N 3.3Å; V75-L98 HydrophobicContact CG1-CD2 3.67Å; V75-L98 HydrophobicContact CG2-CD2 4.11Å; V75-L99 HydrophobicContact CB-CD2 4.46Å; V75-L99 HydrophobicContact CG2-CD2 3.96Å |
| 76 | S | 88.8 | Confident | 89.2 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 52% | 0.524 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 141.3 | 170 | 58.2 | 0 | 0 | 0 | 0 | 111.5 | V70 | V70-S76 CarbonylContact O-C 3.55Å; V70-S76 VanDerWaalsContact O-CA 3.28Å; V70-S76 WeakPolarHBondContact O-CA 3.42Å |
| 77 | C | 91.5 | Very high | 89.2 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 9% | 0.088 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 137.2 | -176.9 | -75.8 | 0 | 0 | 0 | 0 | 110.8 | N69 V70 A95 | N69-C77 CarbonylContact C-O 3.15Å; N69-C77 WeakPolarHBondContact CA-O 3.37Å; N69-C77 PolarHBondContact OD1-O 3.43Å; V70-C77 HydrophobicContact CG1-CB 4.1Å; V70-C77 PolarHBondContact N-O 3.49Å; V70-C77 PolarHBondContact O-N 2.95Å; C77-A95 HydrophobicContact CB-CB 3.99Å |
| 78 | T | 91.9 | Very high | 89.2 | Confident | 79 Ų | 79 | 55.2 Ų | 55.2 | 49% | 0.485 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 154.1 | 176.6 | 55.8 | 0 | 0 | 0 | 0 | 112 | F68 N69 | F68-T78 CarbonylContact O-C 3.39Å; F68-T78 VanDerWaalsContact O-CA 3.3Å; F68-T78 WeakPolarHBondContact O-CA 3.19Å; N69-T78 HydrophobicContact CB-CG2 4.07Å |
| 79 | G | 93.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 140.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I67 F68 | I67-G79 WeakPolarHBondContact CA-O 3.46Å; F68-G79 PolarHBondContact N-O 3.49Å; F68-G79 PolarHBondContact O-N 2.94Å |
| 80 | Q | 92.6 | Very high | 89.1 | Confident | 105 Ų | 105 | 60.6 Ų | 60.6 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 152 | -176.1 | -169.6 | 172.7 | 31.6 | 0 | 0 | 110.7 | S65 F66 I67 | S65-Q80 WeakPolarHBondContact OG-CG 3.05Å; S65-Q80 PolarHBondContact OG-NE2 3.31Å; F66-Q80 CarbonylContact O-C 3.56Å; F66-Q80 VanDerWaalsContact O-CA 3.28Å; F66-Q80 WeakPolarHBondContact O-CA 3.35Å; I67-Q80 HydrophobicContact CG1-CB 4.24Å; I67-Q80 HydrophobicContact CG1-CG 3.89Å |
| 81 | G | 91.5 | Very high | 89.1 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | 163.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114 | F66 S83 | F66-G81 PolarHBondContact N-O 3.36Å; F66-G81 PolarHBondContact O-N 3.07Å; G81-S83 PolarHBondContact O-N 3.12Å |
| 82 | S | 86.2 | Confident | 89.2 | Confident | 92 Ų | 92 | 58 Ų | 58 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -67.7 | -4.2 | -178.9 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | P64 | P64-S82 VanDerWaalsContact O-CA 3.32Å; P64-S82 WeakPolarHBondContact O-CA 3.41Å |
| 83 | S | 89.7 | Confident | 89.4 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 33% | 0.329 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -146.8 | 156.2 | 173.2 | 68.8 | 0 | 0 | 0 | 0 | 110.7 | G81 K85 A86 A87 | G81-S83 PolarHBondContact O-N 3.12Å; S83-K85 PolarHBondContact O-N 3.06Å; S83-A86 PolarHBondContact O-N 3.07Å; S83-A86 WeakPolarHBondContact OG-CB 3.44Å; S83-A86 PolarHBondContact OG-N 2.82Å; S83-A86 VanDerWaalsContact OG-N 3.12Å; S83-A87 PolarHBondContact O-N 3.03Å |
| 84 | K | 86.4 | Confident | 89.6 | Confident | 114 Ų | 114 | 61.4 Ų | 61.4 | 50% | 0.496 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.2 | -26.1 | 173.5 | -59.5 | -179.9 | -178.4 | -178.8 | 0 | 113.1 | M54 F66 F68 K88 | M54-K84 HydrophobicContact CE-CD 3.63Å; M54-K84 HydrophobicContact CE-CG 4.09Å; F66-K84 HydrophobicContact CD1-CG 3.68Å; F66-K84 HydrophobicContact CD2-CG 4.38Å; F66-K84 HydrophobicContact CE1-CD 4.44Å; F66-K84 HydrophobicContact CE1-CG 3.9Å; F66-K84 HydrophobicContact CG-CG 3.94Å; F66-K84 HydrophobicContact CZ-CG 4.33Å; F68-K84 HydrophobicContact CE2-CB 3.98Å; F68-K84 HydrophobicContact CE2-CG 4.19Å; F68-K84 HydrophobicContact CZ-CB 4.42Å; K84-K88 WeakPolarHBondContact O-CG 3.34Å; K84-K88 PolarHBondContact O-N 2.91Å |
| 85 | K | 87.3 | Confident | 90 | Very high | 162 Ų | 162 | 53 Ų | 53 | 70% | 0.704 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -76.9 | -45.8 | 175 | -173.4 | -176.6 | 177.1 | -172.1 | 0 | 111.4 | S83 H89 | S83-K85 PolarHBondContact O-N 3.06Å; K85-H89 WeakPolarHBondContact O-CB 3.49Å; K85-H89 PolarHBondContact O-N 2.84Å |
| 86 | A | 86.6 | Confident | 90.2 | Very high | 38 Ų | 38 | 52 Ų | 52 | 31% | 0.314 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S83 K88 H89 Q90 | S83-A86 PolarHBondContact O-N 3.07Å; S83-A86 WeakPolarHBondContact OG-CB 3.44Å; S83-A86 PolarHBondContact OG-N 2.82Å; S83-A86 VanDerWaalsContact OG-N 3.12Å; A86-K88 PolarHBondContact O-N 2.9Å; A86-H89 WeakPolarHBondContact O-CB 3.1Å; A86-H89 PolarHBondContact O-N 2.9Å; A86-H89 VanDerWaalsContact O-N 3.07Å; A86-Q90 PolarHBondContact O-N 3.44Å |
| 87 | A | 91.5 | Very high | 90 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | F66 F68 S83 H89 Q90 A91 | F66-A87 HydrophobicContact CB-CB 3.94Å; F66-A87 WeakPolarHBondContact O-CB 3.24Å; F68-A87 HydrophobicContact CB-CB 4.38Å; F68-A87 HydrophobicContact CD2-CB 3.73Å; F68-A87 HydrophobicContact CG-CB 4.49Å; S83-A87 PolarHBondContact O-N 3.03Å; A87-H89 VanDerWaalsContact C-N 3.34Å; A87-H89 PolarHBondContact O-N 2.93Å; A87-Q90 PolarHBondContact O-N 3.2Å; A87-A91 WeakPolarHBondContact O-CB 3.49Å; A87-A91 PolarHBondContact O-N 2.74Å |
| 88 | K | 90.8 | Very high | 89.6 | Confident | 73 Ų | 73 | 58.7 Ų | 58.7 | 32% | 0.317 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 173.1 | -77 | -173.4 | 175.4 | -161.4 | 0 | 113.2 | I36 Y52 F68 K84 A86 A92 | I36-K88 HydrophobicContact CD1-CB 3.97Å; Y52-K88 HydrophobicContact CD1-CB 4.33Å; Y52-K88 HydrophobicContact CD1-CD 4.46Å; Y52-K88 HydrophobicContact CD1-CG 4.08Å; Y52-K88 HydrophobicContact CE1-CB 4.46Å; F68-K88 HydrophobicContact CB-CG 4.26Å; F68-K88 HydrophobicContact CD1-CD 4.29Å; F68-K88 HydrophobicContact CD1-CG 3.63Å; F68-K88 HydrophobicContact CD2-CG 4.04Å; F68-K88 HydrophobicContact CE1-CD 4.14Å; F68-K88 HydrophobicContact CE1-CG 3.92Å; F68-K88 HydrophobicContact CE2-CG 4.27Å; F68-K88 HydrophobicContact CG-CG 3.69Å; F68-K88 HydrophobicContact CZ-CD 4.41Å; F68-K88 HydrophobicContact CZ-CG 4.2Å; K84-K88 WeakPolarHBondContact O-CG 3.34Å; K84-K88 PolarHBondContact O-N 2.91Å; A86-K88 PolarHBondContact O-N 2.9Å; K88-A92 WeakPolarHBondContact O-CB 3.48Å; K88-A92 PolarHBondContact O-N 3.25Å |
| 89 | H | 91.9 | Very high | 89 | Confident | 68 Ų | 68 | 57 Ų | 57 | 32% | 0.315 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 177.2 | -170.1 | 114.6 | 0 | 0 | 0 | 110.4 | P35 I36 K85 A86 A87 A92 E93 | P35-H89 WeakPolarHBondContact CD-CE1 3.29Å; P35-H89 WeakPolarHBondContact CD-NE2 3.49Å; I36-H89 HydrophobicContact CD1-CB 4.38Å; K85-H89 WeakPolarHBondContact O-CB 3.49Å; K85-H89 PolarHBondContact O-N 2.84Å; A86-H89 WeakPolarHBondContact O-CB 3.1Å; A86-H89 PolarHBondContact O-N 2.9Å; A86-H89 VanDerWaalsContact O-N 3.07Å; A87-H89 VanDerWaalsContact C-N 3.34Å; A87-H89 PolarHBondContact O-N 2.93Å; H89-A92 PolarHBondContact O-N 3.46Å; H89-E93 WeakPolarHBondContact O-CB 3.23Å; H89-E93 PolarHBondContact O-N 3.31Å |
| 90 | Q | 92.4 | Very high | 87.8 | Confident | 79 Ų | 79 | 65.1 Ų | 65.1 | 37% | 0.369 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 176.7 | -164.1 | 62.4 | 63.8 | 0 | 0 | 112.1 | A86 A87 A92 E93 S94 | A86-Q90 PolarHBondContact O-N 3.44Å; A87-Q90 PolarHBondContact O-N 3.2Å; Q90-A92 VanDerWaalsContact C-N 3.28Å; Q90-A92 PolarHBondContact O-N 3.49Å; Q90-E93 PolarHBondContact NE2-OE2 3.16Å; Q90-E93 PolarHBondContact O-N 2.56Å; Q90-S94 PolarHBondContact O-N 3.31Å; Q90-S94 PolarHBondContact O-OG 3.12Å; Q90-S94 VanDerWaalsContact O-OG 3.12Å |
| 91 | A | 93.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | F68 V70 A87 A95 | F68-A91 HydrophobicContact CB-CB 4.41Å; V70-A91 HydrophobicContact CB-CB 4.38Å; V70-A91 HydrophobicContact CG1-CB 4.07Å; V70-A91 VanDerWaalsContact CG1-O 3.23Å; V70-A91 WeakPolarHBondContact CG1-O 3.32Å; A87-A91 WeakPolarHBondContact O-CB 3.49Å; A87-A91 PolarHBondContact O-N 2.74Å; A91-A95 PolarHBondContact O-N 3.48Å; A91-A95 VanDerWaalsContact O-N 3.12Å |
| 92 | A | 91.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P35 I36 L39 Y52 K88 H89 Q90 A95 L96 | P35-A92 HydrophobicContact CB-CB 4.05Å; I36-A92 HydrophobicContact CB-CB 4.41Å; I36-A92 HydrophobicContact CG1-CB 3.82Å; L39-A92 HydrophobicContact CD2-CB 3.74Å; Y52-A92 HydrophobicContact CE1-CB 4.18Å; Y52-A92 WeakPolarHBondContact OH-CB 3.41Å; K88-A92 WeakPolarHBondContact O-CB 3.48Å; K88-A92 PolarHBondContact O-N 3.25Å; H89-A92 PolarHBondContact O-N 3.46Å; Q90-A92 VanDerWaalsContact C-N 3.28Å; Q90-A92 PolarHBondContact O-N 3.49Å; A92-A95 PolarHBondContact O-N 3.04Å; A92-L96 WeakPolarHBondContact O-CG 3.34Å; A92-L96 PolarHBondContact O-N 2.86Å |
| 93 | E | 90.2 | Very high | 82.8 | Confident | 73 Ų | 73 | 68 Ų | 68 | 34% | 0.341 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 174.7 | -177.1 | 177.1 | -128.6 | 0 | 0 | 111.5 | P35 H89 Q90 A95 L96 N97 | P35-E93 HydrophobicContact CB-CB 4.19Å; P35-E93 HydrophobicContact CG-CB 4.3Å; H89-E93 WeakPolarHBondContact O-CB 3.23Å; H89-E93 PolarHBondContact O-N 3.31Å; Q90-E93 PolarHBondContact NE2-OE2 3.16Å; Q90-E93 PolarHBondContact O-N 2.56Å; E93-A95 VanDerWaalsContact C-N 3.27Å; E93-A95 PolarHBondContact O-N 3.29Å; E93-L96 PolarHBondContact O-N 3.14Å; E93-N97 VanDerWaalsContact O-CG 3.28Å; E93-N97 PolarHBondContact O-N 3.02Å; E93-N97 PolarHBondContact O-ND2 2.92Å |
| 94 | S | 89.4 | Confident | 80.5 | Confident | 38 Ų | 38 | 68.6 Ų | 68.6 | 27% | 0.266 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.6 | -40.5 | 174.7 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | Q90 L98 | Q90-S94 PolarHBondContact O-N 3.31Å; Q90-S94 PolarHBondContact O-OG 3.12Å; Q90-S94 VanDerWaalsContact O-OG 3.12Å; S94-L98 WeakPolarHBondContact O-CB 3.41Å; S94-L98 PolarHBondContact O-N 3.18Å; S94-L98 VanDerWaalsContact O-N 3.07Å |
| 95 | A | 89.4 | Confident | 78.1 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.008 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.6 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L39 V70 I72 C77 A91 A92 E93 L98 L99 | L39-A95 HydrophobicContact CD1-CB 3.91Å; L39-A95 HydrophobicContact CD2-CB 3.7Å; L39-A95 HydrophobicContact CG-CB 4.48Å; V70-A95 HydrophobicContact CG1-CB 3.74Å; I72-A95 HydrophobicContact CD1-CB 4.4Å; C77-A95 HydrophobicContact CB-CB 3.99Å; A91-A95 PolarHBondContact O-N 3.48Å; A91-A95 VanDerWaalsContact O-N 3.12Å; A92-A95 PolarHBondContact O-N 3.04Å; E93-A95 VanDerWaalsContact C-N 3.27Å; E93-A95 PolarHBondContact O-N 3.29Å; A95-L98 PolarHBondContact O-N 3.29Å; A95-L99 WeakPolarHBondContact O-CB 3.4Å; A95-L99 WeakPolarHBondContact O-CD1 3.49Å; A95-L99 VanDerWaalsContact O-CG 3.24Å; A95-L99 WeakPolarHBondContact O-CG 3.35Å; A95-L99 PolarHBondContact O-N 3.19Å; A95-L99 VanDerWaalsContact O-N 3.13Å |
| 96 | L | 88.6 | Confident | 75.8 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 7% | 0.073 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 174.4 | -71.5 | 172.8 | 0 | 0 | 0 | 111.6 | P35 I38 L39 A92 E93 L98 L99 E100 I101 | P35-L96 HydrophobicContact CB-CD1 3.85Å; I38-L96 HydrophobicContact CB-CD1 3.92Å; I38-L96 HydrophobicContact CB-CD2 4.24Å; I38-L96 HydrophobicContact CD1-CD1 4.43Å; I38-L96 HydrophobicContact CG2-CD1 4Å; I38-L96 HydrophobicContact CG2-CD2 3.71Å; L39-L96 HydrophobicContact CB-CD2 3.98Å; L39-L96 HydrophobicContact CB-CG 4.2Å; L39-L96 HydrophobicContact CD1-CD2 3.61Å; L39-L96 HydrophobicContact CD1-CG 3.92Å; L39-L96 HydrophobicContact CG-CD2 4.42Å; A92-L96 WeakPolarHBondContact O-CG 3.34Å; A92-L96 PolarHBondContact O-N 2.86Å; E93-L96 PolarHBondContact O-N 3.14Å; L96-L98 PolarHBondContact O-N 3Å; L96-L99 PolarHBondContact O-N 3.42Å; L96-E100 PolarHBondContact O-N 2.89Å; L96-I101 HydrophobicContact CD2-CB 4.17Å; L96-I101 HydrophobicContact CD2-CD1 3.87Å; L96-I101 HydrophobicContact CD2-CG2 4.3Å; L96-I101 PolarHBondContact O-N 2.93Å |
| 97 | N | 84.3 | Confident | 73.1 | Confident | 118 Ų | 118 | 74 Ų | 74 | 63% | 0.631 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.4 | -41.4 | 178 | -68.4 | -18.3 | 0 | 0 | 0 | 111.7 | E93 L99 E100 | E93-N97 VanDerWaalsContact O-CG 3.28Å; E93-N97 PolarHBondContact O-N 3.02Å; E93-N97 PolarHBondContact O-ND2 2.92Å; N97-L99 VanDerWaalsContact C-N 3.29Å; N97-L99 PolarHBondContact O-N 3.05Å; N97-E100 PolarHBondContact O-N 3.07Å |
| 98 | L | 83.4 | Confident | 70.5 | Confident | 111 Ų | 111 | 82.5 Ų | 82.5 | 58% | 0.581 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -73.6 | -20.3 | 180 | -166.1 | 138.7 | 0 | 0 | 0 | 113.4 | V75 S94 A95 L96 | V75-L98 HydrophobicContact CG1-CD2 3.67Å; V75-L98 HydrophobicContact CG2-CD2 4.11Å; S94-L98 WeakPolarHBondContact O-CB 3.41Å; S94-L98 PolarHBondContact O-N 3.18Å; S94-L98 VanDerWaalsContact O-N 3.07Å; A95-L98 PolarHBondContact O-N 3.29Å; L96-L98 PolarHBondContact O-N 3Å |
| 99 | L | 77.8 | Confident | 67.9 | Low | 42 Ų | 42 | 84.5 Ų | 84.5 | 22% | 0.22 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 3.4 | 174.6 | -68.4 | 165.6 | 0 | 0 | 0 | 113.1 | L39 Y42 I72 V75 A95 L96 N97 I101 | L39-L99 HydrophobicContact CD1-CD1 4.08Å; Y42-L99 HydrophobicContact CD1-CD1 4.1Å; Y42-L99 HydrophobicContact CE1-CD1 3.73Å; Y42-L99 HydrophobicContact CE1-CD2 4.35Å; I72-L99 HydrophobicContact CD1-CD1 4.48Å; V75-L99 HydrophobicContact CB-CD2 4.46Å; V75-L99 HydrophobicContact CG2-CD2 3.96Å; A95-L99 WeakPolarHBondContact O-CB 3.4Å; A95-L99 WeakPolarHBondContact O-CD1 3.49Å; A95-L99 VanDerWaalsContact O-CG 3.24Å; A95-L99 WeakPolarHBondContact O-CG 3.35Å; A95-L99 PolarHBondContact O-N 3.19Å; A95-L99 VanDerWaalsContact O-N 3.13Å; L96-L99 PolarHBondContact O-N 3.42Å; N97-L99 VanDerWaalsContact C-N 3.29Å; N97-L99 PolarHBondContact O-N 3.05Å; L99-I101 HydrophobicContact CB-CD1 3.47Å; L99-I101 VanDerWaalsContact CB-CD1 3.47Å; L99-I101 HydrophobicContact CB-CG1 3.69Å; L99-I101 HydrophobicContact CD1-CD1 3.79Å; L99-I101 HydrophobicContact CG-CD1 4.26Å; L99-I101 PolarHBondContact O-N 3.12Å; L99-I101 VanDerWaalsContact O-N 3.16Å |
| 100 | E | 69.8 | Low | 64.9 | Low | 178 Ų | 178 | 89.9 Ų | 89.9 | 83% | 0.832 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 31.9 | -174.8 | -61.3 | -171 | 161.2 | 0 | 0 | 113.9 | L96 N97 D102 | L96-E100 PolarHBondContact O-N 2.89Å; N97-E100 PolarHBondContact O-N 3.07Å; E100-D102 PolarHBondContact O-N 2.74Å |
| 101 | I | 62.8 | Low | 62.4 | Low | 46 Ų | 46 | 92.4 Ų | 92.4 | 24% | 0.236 | 51% | 0.514 | C | S | . | . | trans | -83.2 | 86.2 | -178.3 | -56.8 | 160.5 | 0 | 0 | 0 | 109.4 | Y42 L96 L99 | Y42-I101 HydrophobicContact CD1-CD1 3.68Å; Y42-I101 HydrophobicContact CD2-CD1 3.34Å; Y42-I101 HydrophobicContact CD2-CG1 3.95Å; Y42-I101 HydrophobicContact CE1-CD1 3.89Å; Y42-I101 HydrophobicContact CE2-CD1 3.56Å; Y42-I101 HydrophobicContact CE2-CG1 3.92Å; Y42-I101 HydrophobicContact CG-CD1 3.39Å; Y42-I101 HydrophobicContact CG-CG1 4.46Å; L96-I101 HydrophobicContact CD2-CB 4.17Å; L96-I101 HydrophobicContact CD2-CD1 3.87Å; L96-I101 HydrophobicContact CD2-CG2 4.3Å; L96-I101 PolarHBondContact O-N 2.93Å; L99-I101 HydrophobicContact CB-CD1 3.47Å; L99-I101 VanDerWaalsContact CB-CD1 3.47Å; L99-I101 HydrophobicContact CB-CG1 3.69Å; L99-I101 HydrophobicContact CD1-CD1 3.79Å; L99-I101 HydrophobicContact CG-CD1 4.26Å; L99-I101 PolarHBondContact O-N 3.12Å; L99-I101 VanDerWaalsContact O-N 3.16Å | ||
| 102 | D | 50.5 | Low | 59.2 | Low | 138 Ų | 138 | 101.8 Ų | 101.8 | 74% | 0.738 | 56% | 0.557 | S | S | * | * | trans | -72.6 | 141.1 | 174.4 | -158.9 | 3.1 | 0 | 0 | 0 | 111.5 | E100 G104 | E100-D102 PolarHBondContact O-N 2.74Å; D102-G104 PolarHBondContact O-N 2.99Å | ||
| 103 | A | 50.6 | Low | 56.5 | Low | 89 Ų | 89 | 106.2 Ų | 106.2 | 74% | 0.736 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 18.4 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 104 | G | 41.8 | Very low | 53.9 | Low | 58 Ų | 58 | 110.6 Ų | 110.6 | 60% | 0.598 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | 4.7 | -158 | 0 | 0 | 0 | 0 | 0 | 118 | D102 P106 | D102-G104 PolarHBondContact O-N 2.99Å; G104-P106 WeakPolarHBondContact O-CD 3.44Å |
| 105 | T | 37 | Very low | 51.1 | Low | 128 Ų | 128 | 112 Ų | 112 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | trans | -102.4 | 102.3 | -179.5 | 35.5 | 0 | 0 | 0 | 0 | 113.6 | L107 | T105-L107 PolarHBondContact O-N 2.85Š| ||
| 106 | P | 37.7 | Very low | 48.7 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | trans | -84 | 102.2 | 174.7 | 32.9 | -33.2 | 0 | 0 | 0 | 110.9 | G104 | G104-P106 WeakPolarHBondContact O-CD 3.44Š| ||
| 107 | L | 30.9 | Very low | 46.3 | Very low | 175 Ų | 175 | 123.5 Ų | 123.5 | 92% | 0.916 | 70% | 0.7 | S | S | * | * | trans | -106.5 | 122.9 | 164.5 | -72.2 | 175.8 | 0 | 0 | 0 | 110.3 | T105 | T105-L107 PolarHBondContact O-N 2.85Š| ||
| 108 | H | 36.3 | Very low | 44.2 | Very low | 177 Ų | 177 | 122.4 Ų | 122.4 | 82% | 0.819 | 71% | 0.707 | S | S | * | * | trans | -103.9 | 157.3 | -172.7 | -178.6 | 48.7 | 0 | 0 | 0 | 110.7 | ||||
| 109 | I | 36.1 | Very low | 42 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 60% | 0.595 | 71% | 0.714 | S | S | * | * | trans | 109.1 | 114.5 | 156 | -56 | -170.3 | 0 | 0 | 0 | 118.4 | ||||
| 110 | K | 28.6 | Very low | 40.3 | Very low | 180 Ų | 180 | 128 Ų | 128 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | 74.1 | 91.9 | 151.5 | -71.1 | 163 | -164.1 | 172.5 | 0 | 121.3 | ||||
| 111 | T | 40.4 | Very low | 39 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | 35.6 | 114.3 | 113.4 | -39.4 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 112 | E | 26.6 | Very low | 38.2 | Very low | 197 Ų | 197 | 129.4 Ų | 129.4 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | -160.1 | 177 | 123.1 | -110.2 | 169.7 | -145.8 | 0 | 0 | 110.9 | |||||
| 113 | S | 34.8 | Very low | 38.5 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | -83.8 | 158.7 | -142 | 65 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 114 | N | 34.2 | Very low | 39.1 | Very low | 164 Ų | 164 | 128 Ų | 128 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | trans | 95.1 | 102.3 | 152.9 | -64 | -27.7 | 0 | 0 | 0 | 119.7 | ||||
| 115 | G | 31.6 | Very low | 41.1 | Very low | 67 Ų | 67 | 129.8 Ų | 129.8 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | 144.3 | 60.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P117 | G115-P117 WeakPolarHBondContact O-CD 3.4Š| ||
| 116 | I | 38.5 | Very low | 43.6 | Very low | 155 Ų | 155 | 124.1 Ų | 124.1 | 80% | 0.795 | 70% | 0.696 | S | S | * | * | trans | -59.2 | 116.7 | -168 | -63 | 173.2 | 0 | 0 | 0 | 112.4 | ||||
| 117 | P | 38.4 | Very low | 46.2 | Very low | 103 Ų | 103 | 119 Ų | 119 | 67% | 0.669 | 66% | 0.662 | S | S | * | * | trans | -72.3 | 155.4 | 166.8 | -12.6 | 30.2 | 0 | 0 | 0 | 111 | G115 E119 | G115-P117 WeakPolarHBondContact O-CD 3.4Å; P117-E119 PolarHBondContact O-N 3.45Å; P117-E119 VanDerWaalsContact O-N 3.11Å | ||
| 118 | A | 40.4 | Very low | 49.1 | Very low | 94 Ų | 94 | 111.1 Ų | 111.1 | 78% | 0.777 | 62% | 0.623 | S | S | * | * | trans | -68.5 | 109.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 119 | E | 36.4 | Very low | 51.6 | Low | 153 Ų | 153 | 106.6 Ų | 106.6 | 72% | 0.715 | 60% | 0.604 | S | S | * | * | trans | -70.6 | 147.9 | 179.2 | -61 | -160.9 | 135.8 | 0 | 0 | 112.9 | P117 N121 | P117-E119 PolarHBondContact O-N 3.45Å; P117-E119 VanDerWaalsContact O-N 3.11Å; E119-N121 PolarHBondContact O-N 2.9Å; E119-N121 VanDerWaalsContact O-N 3.12Å | ||
| 120 | P | 42.2 | Very low | 54.3 | Low | 118 Ų | 118 | 101.1 Ų | 101.1 | 77% | 0.766 | 58% | 0.576 | S | S | * | * | trans | -65.1 | 108.5 | 160.4 | 29.3 | -31.3 | 0 | 0 | 0 | 108.3 | D122 | P120-D122 VanDerWaalsContact C-N 3.35Å; P120-D122 PolarHBondContact O-N 2.84Å | ||
| 121 | N | 43.3 | Very low | 57.3 | Low | 88 Ų | 88 | 96.7 Ų | 96.7 | 47% | 0.471 | 56% | 0.558 | S | S | . | * | trans | -72.7 | 84.7 | -174.6 | 175.8 | 102.6 | 0 | 0 | 0 | 110.9 | E119 Q123 K181 | E119-N121 PolarHBondContact O-N 2.9Å; E119-N121 VanDerWaalsContact O-N 3.12Å; N121-Q123 PolarHBondContact ND2-O 3.14Å; N121-K181 PolarHBondContact OD1-NZ 3.07Å | ||
| 122 | D | 45.9 | Very low | 59.7 | Low | 166 Ų | 166 | 96.8 Ų | 96.8 | 89% | 0.888 | 55% | 0.55 | S | S | * | . | trans | -78.6 | -8.5 | 163.5 | -104 | -8.2 | 0 | 0 | 0 | 112.5 | P120 | P120-D122 VanDerWaalsContact C-N 3.35Å; P120-D122 PolarHBondContact O-N 2.84Å | ||
| 123 | Q | 56.1 | Low | 62.7 | Low | 114 Ų | 114 | 88.6 Ų | 88.6 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -62.7 | 133.2 | 168 | -69.3 | 179.9 | -7.9 | 0 | 0 | 110.1 | N121 | N121-Q123 PolarHBondContact ND2-O 3.14Š|
| 124 | P | 63.3 | Low | 65.3 | Low | 82 Ų | 82 | 84.1 Ų | 84.1 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | trans | -51.2 | 142.8 | -175.1 | 19.3 | -32.4 | 0 | 0 | 0 | 112.6 | S126 I129 K181 | P124-S126 PolarHBondContact O-N 3.17Å; P124-S126 PolarHBondContact O-OG 3.11Å; P124-I129 HydrophobicContact CB-CD1 3.72Å; P124-K181 WeakPolarHBondContact O-CE 3.29Å | ||
| 125 | N | 85.2 | Confident | 67.8 | Low | 96 Ų | 96 | 81.5 Ų | 81.5 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | trans | -77.6 | 74.9 | 175.2 | -179.6 | 22.8 | 0 | 0 | 0 | 109.7 | V127 G128 I129 | N125-V127 PolarHBondContact O-N 2.68Å; N125-G128 WeakPolarHBondContact O-CA 3.48Å; N125-G128 PolarHBondContact O-N 2.7Å; N125-G128 PolarHBondContact OD1-N 3.13Å; N125-I129 PolarHBondContact O-N 2.97Å | ||
| 126 | S | 88.3 | Confident | 70.5 | Confident | 9 Ų | 9 | 86 Ų | 86 | 6% | 0.063 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -54.6 | -29.5 | -175.4 | -43 | 0 | 0 | 0 | 0 | 113.4 | P124 L130 E185 | P124-S126 PolarHBondContact O-N 3.17Å; P124-S126 PolarHBondContact O-OG 3.11Å; S126-L130 VanDerWaalsContact O-CB 3.29Å; S126-L130 WeakPolarHBondContact O-CB 3.19Å; S126-L130 PolarHBondContact O-N 2.91Å; S126-L130 VanDerWaalsContact O-N 3.07Å; S126-E185 WeakPolarHBondContact OG-CG 3.22Å; S126-E185 PolarHBondContact OG-OE1 2.79Å |
| 127 | V | 92.1 | Very high | 72.6 | Confident | 19 Ų | 19 | 84.2 Ų | 84.2 | 12% | 0.115 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 172.4 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | N125 Q131 Y144 K180 K181 A184 | N125-V127 PolarHBondContact O-N 2.68Å; V127-Q131 WeakPolarHBondContact O-CB 3.48Å; V127-Q131 PolarHBondContact O-N 3.27Å; V127-Y144 HydrophobicContact CG1-CE2 4.29Å; V127-K180 HydrophobicContact CG1-CD 4.33Å; V127-K180 HydrophobicContact CG2-CG 4.24Å; V127-K181 HydrophobicContact CG2-CB 4.26Å; V127-A184 HydrophobicContact CB-CB 4.48Å; V127-A184 HydrophobicContact CG2-CB 3.98Å |
| 128 | G | 91.5 | Very high | 74.5 | Confident | 10 Ų | 10 | 82.7 Ų | 82.7 | 10% | 0.103 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -68.7 | -47.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N125 L130 Q131 E132 | N125-G128 WeakPolarHBondContact O-CA 3.48Å; N125-G128 PolarHBondContact O-N 2.7Å; N125-G128 PolarHBondContact OD1-N 3.13Å; G128-L130 VanDerWaalsContact C-N 3.33Å; G128-L130 PolarHBondContact O-N 3.23Å; G128-Q131 CarbonylContact O-C 3.56Å; G128-Q131 WeakPolarHBondContact O-CA 3.43Å; G128-Q131 WeakPolarHBondContact O-CB 3.2Å; G128-Q131 PolarHBondContact O-N 2.9Å; G128-E132 WeakPolarHBondContact O-CB 3.44Å; G128-E132 WeakPolarHBondContact O-CG 3.45Å; G128-E132 PolarHBondContact O-N 2.99Å |
| 129 | I | 90.6 | Very high | 76.7 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.4 | -45.9 | 178.1 | -64.3 | 168.2 | 0 | 0 | 0 | 111 | P124 N125 Q131 E132 L133 | P124-I129 HydrophobicContact CB-CD1 3.72Å; N125-I129 PolarHBondContact O-N 2.97Å; I129-Q131 VanDerWaalsContact C-N 3.31Å; I129-Q131 PolarHBondContact O-N 2.82Å; I129-E132 PolarHBondContact O-N 2.86Å; I129-L133 VanDerWaalsContact O-CB 3.27Å; I129-L133 WeakPolarHBondContact O-CB 3.42Å; I129-L133 PolarHBondContact O-N 2.94Å |
| 130 | L | 91.1 | Very high | 78.9 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.8 | -35 | 177.3 | -171.7 | 66.7 | 0 | 0 | 0 | 112.4 | S126 G128 A134 P142 M164 A184 M187 V188 L191 | S126-L130 VanDerWaalsContact O-CB 3.29Å; S126-L130 WeakPolarHBondContact O-CB 3.19Å; S126-L130 PolarHBondContact O-N 2.91Å; S126-L130 VanDerWaalsContact O-N 3.07Å; G128-L130 VanDerWaalsContact C-N 3.33Å; G128-L130 PolarHBondContact O-N 3.23Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 3.14Å; L130-A134 VanDerWaalsContact O-N 3.1Å; L130-P142 HydrophobicContact CD2-CB 3.91Å; L130-P142 HydrophobicContact CD2-CG 4.09Å; L130-P142 HydrophobicContact CG-CB 4.34Å; L130-P142 HydrophobicContact CG-CG 4.09Å; L130-M164 HydrophobicContact CD1-CE 4.36Å; L130-M164 HydrophobicContact CD1-SD 3.58Å; L130-M164 VanDerWaalsContact CD1-SD 3.58Å; L130-M164 HydrophobicContact CD2-SD 4.2Å; L130-M164 HydrophobicContact CG-SD 3.86Å; L130-A184 HydrophobicContact CD2-CB 4.16Å; L130-M187 HydrophobicContact CD1-CG 4.15Å; L130-M187 HydrophobicContact CD2-CB 3.89Å; L130-M187 HydrophobicContact CD2-CG 3.88Å; L130-V188 HydrophobicContact CB-CG2 4.17Å; L130-V188 HydrophobicContact CD1-CG2 3.88Å; L130-L191 HydrophobicContact CD1-CD1 3.64Å |
| 131 | Q | 91.7 | Very high | 81.1 | Confident | 87 Ų | 87 | 76.2 Ų | 76.2 | 41% | 0.407 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.5 | -41.9 | 177.1 | -178.3 | 174.5 | -18.3 | 0 | 0 | 112.3 | V127 G128 I129 A134 L135 L141 | V127-Q131 WeakPolarHBondContact O-CB 3.48Å; V127-Q131 PolarHBondContact O-N 3.27Å; G128-Q131 CarbonylContact O-C 3.56Å; G128-Q131 WeakPolarHBondContact O-CA 3.43Å; G128-Q131 WeakPolarHBondContact O-CB 3.2Å; G128-Q131 PolarHBondContact O-N 2.9Å; I129-Q131 VanDerWaalsContact C-N 3.31Å; I129-Q131 PolarHBondContact O-N 2.82Å; Q131-A134 PolarHBondContact O-N 2.9Å; Q131-L135 HydrophobicContact CG-CD1 4.33Å; Q131-L135 WeakPolarHBondContact O-CG 3.27Å; Q131-L135 PolarHBondContact O-N 3.33Å; Q131-L141 HydrophobicContact CG-CD2 4.26Å |
| 132 | E | 91.1 | Very high | 83.4 | Confident | 135 Ų | 135 | 72.7 Ų | 72.7 | 63% | 0.631 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.9 | -43.6 | 175.4 | -74.6 | 169.2 | -163.1 | 0 | 0 | 111.2 | G128 I129 A134 L135 Q136 | G128-E132 WeakPolarHBondContact O-CB 3.44Å; G128-E132 WeakPolarHBondContact O-CG 3.45Å; G128-E132 PolarHBondContact O-N 2.99Å; I129-E132 PolarHBondContact O-N 2.86Å; E132-A134 PolarHBondContact O-N 3.2Å; E132-L135 PolarHBondContact O-N 3.04Å; E132-Q136 WeakPolarHBondContact O-CB 3.47Å; E132-Q136 PolarHBondContact O-N 2.72Å |
| 133 | L | 89.1 | Confident | 85.7 | Confident | 25 Ų | 25 | 69 Ų | 69 | 13% | 0.131 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 173.5 | 178.9 | 67.1 | 0 | 0 | 0 | 111.7 | I129 L135 Q136 R137 W139 L191 I200 | I129-L133 VanDerWaalsContact O-CB 3.27Å; I129-L133 WeakPolarHBondContact O-CB 3.42Å; I129-L133 PolarHBondContact O-N 2.94Å; L133-L135 PolarHBondContact O-N 2.87Å; L133-Q136 PolarHBondContact O-N 2.95Å; L133-R137 HydrophobicContact CD1-CG 4.06Å; L133-R137 WeakPolarHBondContact O-CB 3.46Å; L133-R137 VanDerWaalsContact O-CG 3.31Å; L133-R137 WeakPolarHBondContact O-CG 3.27Å; L133-R137 PolarHBondContact O-N 3.46Å; L133-W139 HydrophobicContact CD1-CZ3 4.49Å; L133-W139 HydrophobicContact CD2-CZ3 3.99Å; L133-W139 HydrophobicContact CG-CZ3 3.87Å; L133-L191 HydrophobicContact CD2-CD1 4.3Å; L133-I200 HydrophobicContact CD2-CB 4.31Å; L133-I200 HydrophobicContact CD2-CD1 3.53Å; L133-I200 HydrophobicContact CD2-CG2 4.2Å |
| 134 | A | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.5 | -47 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L130 Q131 E132 R137 G138 W139 L141 M164 | L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 3.14Å; L130-A134 VanDerWaalsContact O-N 3.1Å; Q131-A134 PolarHBondContact O-N 2.9Å; E132-A134 PolarHBondContact O-N 3.2Å; A134-R137 PolarHBondContact O-N 3.42Å; A134-G138 PolarHBondContact O-N 2.92Å; A134-W139 HydrophobicContact CB-CB 4.32Å; A134-W139 PolarHBondContact O-N 3.32Å; A134-L141 HydrophobicContact CB-CD2 4.36Å; A134-M164 HydrophobicContact CB-CE 3.69Å |
| 135 | L | 88 | Confident | 89 | Confident | 109 Ų | 109 | 65.3 Ų | 65.3 | 57% | 0.571 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.2 | -47 | 177.4 | -74 | 167.1 | 0 | 0 | 0 | 112.3 | Q131 E132 L133 R137 G138 L141 | Q131-L135 HydrophobicContact CG-CD1 4.33Å; Q131-L135 WeakPolarHBondContact O-CG 3.27Å; Q131-L135 PolarHBondContact O-N 3.33Å; E132-L135 PolarHBondContact O-N 3.04Å; L133-L135 PolarHBondContact O-N 2.87Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 3.48Å; L135-G138 PolarHBondContact O-N 3.12Å; L135-L141 HydrophobicContact CD2-CD2 3.81Å; L135-L141 HydrophobicContact CG-CD2 3.8Å |
| 136 | Q | 87.1 | Confident | 89.4 | Confident | 161 Ų | 161 | 63.7 Ų | 63.7 | 75% | 0.752 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.6 | -32.8 | -178.7 | -171.1 | -177.2 | 18.5 | 0 | 0 | 112.5 | E132 L133 | E132-Q136 WeakPolarHBondContact O-CB 3.47Å; E132-Q136 PolarHBondContact O-N 2.72Å; L133-Q136 PolarHBondContact O-N 2.95Å |
| 137 | R | 83.8 | Confident | 89.6 | Confident | 118 Ų | 118 | 69.2 Ų | 69.2 | 45% | 0.445 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -93.5 | -1.1 | 179 | -60.6 | -69.2 | -160.7 | -173 | 3.7 | 113.9 | L133 A134 L135 W139 I200 | L133-R137 HydrophobicContact CD1-CG 4.06Å; L133-R137 WeakPolarHBondContact O-CB 3.46Å; L133-R137 VanDerWaalsContact O-CG 3.31Å; L133-R137 WeakPolarHBondContact O-CG 3.27Å; L133-R137 PolarHBondContact O-N 3.46Å; A134-R137 PolarHBondContact O-N 3.42Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 3.48Å; R137-W139 VanDerWaalsContact C-N 3.29Å; R137-W139 HydrophobicContact CB-CD2 3.54Å; R137-W139 HydrophobicContact CB-CE3 4.05Å; R137-W139 HydrophobicContact CB-CG 3.92Å; R137-W139 HydrophobicContact CB-CH2 4.26Å; R137-W139 HydrophobicContact CB-CZ2 3.72Å; R137-W139 HydrophobicContact CB-CZ3 4.4Å; R137-W139 HydrophobicContact CG-CD2 4.26Å; R137-W139 HydrophobicContact CG-CE3 4.36Å; R137-W139 HydrophobicContact CG-CH2 3.94Å; R137-W139 HydrophobicContact CG-CZ2 3.74Å; R137-W139 HydrophobicContact CG-CZ3 4.23Å; R137-W139 PolarHBondContact O-N 3.5Å; R137-I200 PolarHBondContact NH2-O 3.48Å |
| 138 | G | 78.6 | Confident | 89.3 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 72% | 0.722 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 20.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A134 L135 | A134-G138 PolarHBondContact O-N 2.92Å; L135-G138 PolarHBondContact O-N 3.12Å |
| 139 | W | 85.6 | Confident | 89.4 | Confident | 31 Ų | 31 | 77.1 Ų | 77.1 | 12% | 0.117 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 162.6 | 179.2 | -56 | -22.3 | 0 | 0 | 0 | 111.9 | L133 A134 R137 M164 I200 W202 P204 | L133-W139 HydrophobicContact CD1-CZ3 4.49Å; L133-W139 HydrophobicContact CD2-CZ3 3.99Å; L133-W139 HydrophobicContact CG-CZ3 3.87Å; A134-W139 HydrophobicContact CB-CB 4.32Å; A134-W139 PolarHBondContact O-N 3.32Å; R137-W139 VanDerWaalsContact C-N 3.29Å; R137-W139 HydrophobicContact CB-CD2 3.54Å; R137-W139 HydrophobicContact CB-CE3 4.05Å; R137-W139 HydrophobicContact CB-CG 3.92Å; R137-W139 HydrophobicContact CB-CH2 4.26Å; R137-W139 HydrophobicContact CB-CZ2 3.72Å; R137-W139 HydrophobicContact CB-CZ3 4.4Å; R137-W139 HydrophobicContact CG-CD2 4.26Å; R137-W139 HydrophobicContact CG-CE3 4.36Å; R137-W139 HydrophobicContact CG-CH2 3.94Å; R137-W139 HydrophobicContact CG-CZ2 3.74Å; R137-W139 HydrophobicContact CG-CZ3 4.23Å; R137-W139 PolarHBondContact O-N 3.5Å; W139-M164 HydrophobicContact CB-CE 4.45Å; W139-M164 HydrophobicContact CD2-CE 4.45Å; W139-M164 HydrophobicContact CE3-CE 3.5Å; W139-M164 VanDerWaalsContact CE3-CE 3.5Å; W139-M164 HydrophobicContact CZ3-CE 4.14Å; W139-I200 HydrophobicContact CH2-CG2 4.13Å; W139-W202 HydrophobicContact CH2-CE3 4.12Å; W139-W202 WeakPolarHBondContact CH2-O 3.44Å; W139-W202 HydrophobicContact CZ2-CE3 4.4Å; W139-W202 WeakPolarHBondContact CZ2-O 3.31Å; W139-W202 HydrophobicContact CZ3-CE3 4.47Å; W139-P204 HydrophobicContact CD2-CG 4.41Å; W139-P204 VanDerWaalsContact CE2-CD 3.45Å; W139-P204 HydrophobicContact CG-CG 4.09Å |
| 140 | R | 82.2 | Confident | 89.3 | Confident | 104 Ų | 104 | 74.8 Ų | 74.8 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 140.7 | 172.2 | -64.7 | -177.3 | -78.7 | -146.2 | -4.8 | 110 | E165 S207 | R140-E165 VanDerWaalsContact CB-OE1 3.22Å; R140-E165 WeakPolarHBondContact CB-OE1 3.37Å; R140-E165 WeakPolarHBondContact CG-OE1 3.3Å; R140-E165 IonicContact CZ-OE2 3.86Å; R140-E165 PolarHBondContact N-OE1 2.63Å; R140-E165 IonicContact NE-OE1 3.11Å; R140-E165 IonicContact NE-OE2 2.66Å; R140-E165 PolarHBondContact NE-OE2 3.22Å; R140-E165 IonicContact NH2-OE2 2.63Å; R140-E165 PolarHBondContact NH2-OE2 2.87Å; R140-S207 PolarHBondContact NH1-O 2.8Å; R140-S207 PolarHBondContact NH2-O 3.12Å |
| 141 | L | 89.2 | Confident | 89 | Confident | 95 Ų | 95 | 77.3 Ų | 77.3 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 141.1 | -179.4 | -61.2 | -176.6 | 0 | 0 | 0 | 111.1 | Q131 A134 L135 E143 | Q131-L141 HydrophobicContact CG-CD2 4.26Å; A134-L141 HydrophobicContact CB-CD2 4.36Å; L135-L141 HydrophobicContact CD2-CD2 3.81Å; L135-L141 HydrophobicContact CG-CD2 3.8Å; L141-E143 PolarHBondContact O-N 2.77Å |
| 142 | P | 91.8 | Very high | 88.6 | Confident | 14 Ų | 14 | 75.8 Ų | 75.8 | 9% | 0.091 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 126 | 178.1 | 25.7 | -34.5 | 0 | 0 | 0 | 111.2 | L130 Y144 M164 | L130-P142 HydrophobicContact CD2-CB 3.91Å; L130-P142 HydrophobicContact CD2-CG 4.09Å; L130-P142 HydrophobicContact CG-CB 4.34Å; L130-P142 HydrophobicContact CG-CG 4.09Å; P142-Y144 HydrophobicContact CB-CE2 3.87Å; P142-Y144 HydrophobicContact CG-CE2 3.97Å; P142-Y144 VanDerWaalsContact O-CD2 3.29Å; P142-Y144 WeakPolarHBondContact O-CD2 3.45Å; P142-Y144 VanDerWaalsContact O-CE2 3.3Å; P142-Y144 WeakPolarHBondContact O-CE2 3.39Å; P142-M164 HydrophobicContact CB-CB 4.4Å; P142-M164 HydrophobicContact CB-CG 4.47Å; P142-M164 HydrophobicContact CB-SD 4.23Å |
| 143 | E | 93 | Very high | 88.1 | Confident | 89 Ų | 89 | 74.5 Ų | 74.5 | 42% | 0.416 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 138.5 | 179 | -168.7 | -178.8 | 136.6 | 0 | 0 | 109.8 | L141 C162 R163 | L141-E143 PolarHBondContact O-N 2.77Å; E143-C162 CarbonylContact O-C 3.6Å; E143-C162 WeakPolarHBondContact O-CA 3.47Å; E143-R163 PolarHBondContact N-O 2.78Å; E143-R163 PolarHBondContact O-N 2.82Å; E143-R163 IonicContact OE1-CZ 2.7Å; E143-R163 IonicContact OE1-NH1 2.72Å; E143-R163 IonicContact OE1-NH2 3.51Å; E143-R163 PolarHBondContact OE1-NH2 3.12Å; E143-R163 IonicContact OE2-CZ 2.68Å; E143-R163 IonicContact OE2-NE 3.52Å; E143-R163 IonicContact OE2-NH2 3.45Å; E143-R163 PolarHBondContact OE2-NH2 2.88Å |
| 144 | Y | 94.5 | Very high | 87.7 | Confident | 48 Ų | 48 | 81.3 Ų | 81.3 | 19% | 0.188 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 121.8 | -176.5 | -62.6 | -96.7 | 0 | 0 | 0 | 110.9 | V127 P142 V160 T161 C162 K180 A184 | V127-Y144 HydrophobicContact CG1-CE2 4.29Å; P142-Y144 HydrophobicContact CB-CE2 3.87Å; P142-Y144 HydrophobicContact CG-CE2 3.97Å; P142-Y144 VanDerWaalsContact O-CD2 3.29Å; P142-Y144 WeakPolarHBondContact O-CD2 3.45Å; P142-Y144 VanDerWaalsContact O-CE2 3.3Å; P142-Y144 WeakPolarHBondContact O-CE2 3.39Å; Y144-V160 HydrophobicContact CD1-CG1 4.32Å; Y144-T161 WeakPolarHBondContact CA-O 3.42Å; Y144-C162 HydrophobicContact CD1-CB 3.85Å; Y144-C162 HydrophobicContact CE1-CB 3.76Å; Y144-C162 VanDerWaalsContact CE1-SG 3.55Å; Y144-K180 HydrophobicContact CD1-CD 4.21Å; Y144-K180 HydrophobicContact CD1-CG 3.41Å; Y144-K180 VanDerWaalsContact CD1-CG 3.41Å; Y144-K180 HydrophobicContact CD2-CD 4.48Å; Y144-K180 HydrophobicContact CE1-CG 3.7Å; Y144-K180 HydrophobicContact CG-CD 4.16Å; Y144-K180 HydrophobicContact CG-CG 3.84Å; Y144-A184 HydrophobicContact CE1-CB 4.16Å; Y144-A184 WeakPolarHBondContact OH-CB 3.35Å |
| 145 | T | 94.4 | Very high | 87.4 | Confident | 69 Ų | 69 | 89.1 Ų | 89.1 | 42% | 0.423 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130.9 | -179.4 | -46.1 | 0 | 0 | 0 | 0 | 109.6 | V160 T161 | T145-V160 WeakPolarHBondContact O-CA 3.43Å; T145-T161 PolarHBondContact N-O 3.07Å; T145-T161 PolarHBondContact O-N 3.07Å |
| 146 | V | 94.8 | Very high | 87.2 | Confident | 62 Ų | 62 | 90.5 Ų | 90.5 | 38% | 0.376 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 118.5 | 169.7 | -173.8 | 0 | 0 | 0 | 0 | 107.3 | E149 V160 K176 | V146-E149 HydrophobicContact CG1-CG 3.92Å; V146-V160 HydrophobicContact CG2-CG2 4.2Å; V146-K176 HydrophobicContact CG2-CD 4.28Å |
| 147 | L | 91.1 | Very high | 87.5 | Confident | 125 Ų | 125 | 86.7 Ų | 86.7 | 65% | 0.654 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -33.4 | -174.3 | -168.2 | 146.7 | 0 | 0 | 0 | 112.1 | T159 | L147-T159 PolarHBondContact N-O 3.32Å |
| 148 | M | 87.3 | Confident | 88 | Confident | 90 Ų | 90 | 81.8 Ų | 81.8 | 44% | 0.443 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 143.2 | 178.9 | -173.5 | 172.2 | 64.4 | 0 | 0 | 111.4 | A150 F158 T159 | M148-A150 HydrophobicContact CE-CB 4.27Å; M148-A150 HydrophobicContact CG-CB 4.17Å; M148-A150 HydrophobicContact SD-CB 4.26Å; M148-F158 WeakPolarHBondContact O-CA 3.3Å; M148-T159 WeakPolarHBondContact CE-OG1 3.09Å; M148-T159 PolarHBondContact N-O 2.82Å; M148-T159 PolarHBondContact O-N 2.86Å |
| 149 | E | 92.7 | Very high | 88.7 | Confident | 105 Ų | 105 | 79 Ų | 79 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 115.1 | 166.6 | -50.4 | -166.9 | -169.9 | 0 | 0 | 107.3 | V146 E157 F158 K176 | V146-E149 HydrophobicContact CG1-CG 3.92Å; E149-E157 WeakPolarHBondContact CA-O 3.48Å; E149-F158 HydrophobicContact CB-CD1 4.22Å; E149-F158 HydrophobicContact CB-CE1 4.26Å; E149-F158 HydrophobicContact CG-CD1 3.75Å; E149-F158 HydrophobicContact CG-CE1 3.96Å; E149-F158 WeakPolarHBondContact OE2-CE1 3.42Å; E149-K176 WeakPolarHBondContact OE1-CE 3.48Å; E149-K176 IonicContact OE1-NZ 3.44Å; E149-K176 PolarHBondContact OE1-NZ 2.92Å; E149-K176 IonicContact OE2-NZ 3.69Å; E149-K176 PolarHBondContact OE2-NZ 3.48Å |
| 150 | A | 88.8 | Confident | 89.3 | Confident | 34 Ų | 34 | 77.8 Ų | 77.8 | 28% | 0.281 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 174.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M148 R156 E157 | M148-A150 HydrophobicContact CE-CB 4.27Å; M148-A150 HydrophobicContact CG-CB 4.17Å; M148-A150 HydrophobicContact SD-CB 4.26Å; A150-R156 CarbonylContact O-C 3.57Å; A150-R156 WeakPolarHBondContact O-CA 3.35Å; A150-E157 PolarHBondContact N-O 3.39Å; A150-E157 PolarHBondContact O-N 2.9Å |
| 151 | G | 85.6 | Confident | 89.9 | Confident | 53 Ų | 53 | 73.6 Ų | 73.6 | 55% | 0.546 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 81.6 | 162.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 152 | P | 82.8 | Confident | 90.2 | Very high | 55 Ų | 55 | 69 Ų | 69 | 36% | 0.357 | 36% | 0.363 | S | S | . | . | trans | -70.1 | 163.2 | -177.7 | 30.9 | -36.6 | 0 | 0 | 0 | 111.6 | H154 K155 R156 | P152-H154 WeakPolarHBondContact CG-NE2 3.43Å; P152-H154 PolarHBondContact O-N 3.47Å; P152-K155 HydrophobicContact CG-CB 3.97Å; P152-K155 CarbonylContact O-C 3.6Å; P152-K155 PolarHBondContact O-N 2.93Å; P152-R156 WeakPolarHBondContact O-CG 3.49Å; P152-R156 PolarHBondContact O-N 3.11Å; P152-R156 VanDerWaalsContact O-N 3.16Å | ||
| 153 | P | 80 | Confident | 90.2 | Very high | 107 Ų | 107 | 72.2 Ų | 72.2 | 70% | 0.695 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -29.1 | -176.4 | -29.5 | 36.2 | 0 | 0 | 0 | 115.9 | ||
| 154 | H | 80.4 | Confident | 90 | Very high | 168 Ų | 168 | 68 Ų | 68 | 78% | 0.778 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -6.5 | 178.6 | 58.5 | -100.9 | 0 | 0 | 0 | 114.3 | P152 | P152-H154 WeakPolarHBondContact CG-NE2 3.43Å; P152-H154 PolarHBondContact O-N 3.47Å |
| 155 | K | 83.4 | Confident | 89.5 | Confident | 164 Ų | 164 | 67.4 Ų | 67.4 | 71% | 0.713 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -146.8 | 58.7 | 178.1 | -167.1 | -174.2 | 177.2 | -178.1 | 0 | 109.4 | P152 | P152-K155 HydrophobicContact CG-CB 3.97Å; P152-K155 CarbonylContact O-C 3.6Å; P152-K155 PolarHBondContact O-N 2.93Å |
| 156 | R | 85.5 | Confident | 88.8 | Confident | 139 Ų | 139 | 68.7 Ų | 68.7 | 53% | 0.525 | 36% | 0.364 | S | S | . | . | trans | -71.9 | 141.6 | 176.9 | -66.9 | -173.5 | -178.9 | -172.9 | 0.8 | 110.5 | A150 P152 F158 N174 | A150-R156 CarbonylContact O-C 3.57Å; A150-R156 WeakPolarHBondContact O-CA 3.35Å; P152-R156 WeakPolarHBondContact O-CG 3.49Å; P152-R156 PolarHBondContact O-N 3.11Å; P152-R156 VanDerWaalsContact O-N 3.16Å; R156-F158 HydrophobicContact CB-CE2 3.72Å; R156-F158 HydrophobicContact CB-CZ 4.12Å; R156-N174 WeakPolarHBondContact O-CA 3.4Å | ||
| 157 | E | 92.8 | Very high | 88.5 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.4 | 175.6 | -178.3 | 163.2 | -140.8 | 0 | 0 | 109.1 | E149 A150 M172 | E149-E157 WeakPolarHBondContact CA-O 3.48Å; A150-E157 PolarHBondContact N-O 3.39Å; A150-E157 PolarHBondContact O-N 2.9Å; E157-M172 HydrophobicContact CG-CB 4.41Å |
| 158 | F | 93.4 | Very high | 88.5 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 7% | 0.07 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125.8 | -179.4 | -61.1 | -93.4 | 0 | 0 | 0 | 108.6 | M148 E149 R156 M172 G173 K176 A179 | M148-F158 WeakPolarHBondContact O-CA 3.3Å; E149-F158 HydrophobicContact CB-CD1 4.22Å; E149-F158 HydrophobicContact CB-CE1 4.26Å; E149-F158 HydrophobicContact CG-CD1 3.75Å; E149-F158 HydrophobicContact CG-CE1 3.96Å; E149-F158 WeakPolarHBondContact OE2-CE1 3.42Å; R156-F158 HydrophobicContact CB-CE2 3.72Å; R156-F158 HydrophobicContact CB-CZ 4.12Å; F158-M172 CarbonylContact O-C 3.59Å; F158-M172 VanDerWaalsContact O-CA 3.27Å; F158-M172 WeakPolarHBondContact O-CA 3.44Å; F158-G173 PolarHBondContact N-O 3.21Å; F158-G173 PolarHBondContact O-N 3.36Å; F158-K176 HydrophobicContact CB-CG 4.49Å; F158-K176 HydrophobicContact CD1-CD 4.2Å; F158-K176 HydrophobicContact CD1-CG 3.38Å; F158-K176 HydrophobicContact CE1-CD 4.2Å; F158-K176 VanDerWaalsContact CE1-CE 3.41Å; F158-K176 HydrophobicContact CE1-CG 3.64Å; F158-K176 HydrophobicContact CG-CG 3.92Å; F158-K176 HydrophobicContact CZ-CG 4.36Å; F158-A179 HydrophobicContact CB-CB 4.09Å; F158-A179 WeakPolarHBondContact O-CB 3.19Å |
| 159 | T | 94.6 | Very high | 89 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.5 | 172.6 | -51.1 | 0 | 0 | 0 | 0 | 108.4 | L147 M148 T170 A171 M172 | L147-T159 PolarHBondContact N-O 3.32Å; M148-T159 WeakPolarHBondContact CE-OG1 3.09Å; M148-T159 PolarHBondContact N-O 2.82Å; M148-T159 PolarHBondContact O-N 2.86Å; T159-T170 HydrophobicContact CG2-CG2 3.38Å; T159-A171 WeakPolarHBondContact CA-O 3.42Å; T159-M172 HydrophobicContact CG2-CG 4.18Å |
| 160 | V | 96.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.024 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.2 | 179.6 | 176.3 | 0 | 0 | 0 | 0 | 109.6 | Y144 T145 V146 T170 A171 A179 K180 A183 | Y144-V160 HydrophobicContact CD1-CG1 4.32Å; T145-V160 WeakPolarHBondContact O-CA 3.43Å; V146-V160 HydrophobicContact CG2-CG2 4.2Å; V160-T170 WeakPolarHBondContact O-CA 3.2Å; V160-A171 PolarHBondContact N-O 3.18Å; V160-A171 PolarHBondContact O-N 3.14Å; V160-A179 HydrophobicContact CB-CB 3.95Å; V160-A179 HydrophobicContact CG2-CB 3.52Å; V160-K180 HydrophobicContact CG1-CB 4.3Å; V160-A183 HydrophobicContact CG1-CB 4.35Å |
| 161 | T | 95.9 | Very high | 89.4 | Confident | 16 Ų | 16 | 57.8 Ų | 57.8 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126 | 174.1 | -60.6 | 0 | 0 | 0 | 0 | 109 | Y144 T145 T168 E169 T170 | Y144-T161 WeakPolarHBondContact CA-O 3.42Å; T145-T161 PolarHBondContact N-O 3.07Å; T145-T161 PolarHBondContact O-N 3.07Å; T161-T168 HydrophobicContact CG2-CG2 3.27Å; T161-E169 CarbonylContact C-O 3.58Å; T161-E169 WeakPolarHBondContact CA-O 3.42Å; T161-T170 PolarHBondContact OG1-OG1 3.29Å |
| 162 | C | 95.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 124.4 | 167.1 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | E143 Y144 T168 E169 A183 M187 | E143-C162 CarbonylContact O-C 3.6Å; E143-C162 WeakPolarHBondContact O-CA 3.47Å; Y144-C162 HydrophobicContact CD1-CB 3.85Å; Y144-C162 HydrophobicContact CE1-CB 3.76Å; Y144-C162 VanDerWaalsContact CE1-SG 3.55Å; C162-T168 WeakPolarHBondContact O-CA 3.39Å; C162-E169 PolarHBondContact N-O 3.44Å; C162-E169 PolarHBondContact O-N 3.28Å; C162-A183 HydrophobicContact CB-CB 3.85Å; C162-M187 HydrophobicContact CB-CE 4.3Å; C162-M187 WeakPolarHBondContact O-CE 3.21Å |
| 163 | R | 91.4 | Very high | 90.3 | Very high | 80 Ų | 80 | 58.3 Ų | 58.3 | 30% | 0.302 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.9 | 172.9 | -177 | 174 | 70.9 | -140.3 | 6.9 | 109.1 | E143 R209 | E143-R163 PolarHBondContact N-O 2.78Å; E143-R163 PolarHBondContact O-N 2.82Å; E143-R163 IonicContact OE1-CZ 2.7Å; E143-R163 IonicContact OE1-NH1 2.72Å; E143-R163 IonicContact OE1-NH2 3.51Å; E143-R163 PolarHBondContact OE1-NH2 3.12Å; E143-R163 IonicContact OE2-CZ 2.68Å; E143-R163 IonicContact OE2-NE 3.52Å; E143-R163 IonicContact OE2-NH2 3.45Å; E143-R163 PolarHBondContact OE2-NH2 2.88Å; R163-R209 VanDerWaalsContact NH2-NH2 3.12Å |
| 164 | M | 88.1 | Confident | 90.7 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 111 | 178.5 | -172.2 | 167.8 | 179.3 | 0 | 0 | 108.6 | L130 A134 W139 P142 S166 L167 M187 L191 | L130-M164 HydrophobicContact CD1-CE 4.36Å; L130-M164 HydrophobicContact CD1-SD 3.58Å; L130-M164 VanDerWaalsContact CD1-SD 3.58Å; L130-M164 HydrophobicContact CD2-SD 4.2Å; L130-M164 HydrophobicContact CG-SD 3.86Å; A134-M164 HydrophobicContact CB-CE 3.69Å; W139-M164 HydrophobicContact CB-CE 4.45Å; W139-M164 HydrophobicContact CD2-CE 4.45Å; W139-M164 HydrophobicContact CE3-CE 3.5Å; W139-M164 VanDerWaalsContact CE3-CE 3.5Å; W139-M164 HydrophobicContact CZ3-CE 4.14Å; P142-M164 HydrophobicContact CB-CB 4.4Å; P142-M164 HydrophobicContact CB-CG 4.47Å; P142-M164 HydrophobicContact CB-SD 4.23Å; M164-S166 PolarHBondContact O-N 3.33Å; M164-L167 PolarHBondContact N-O 2.93Å; M164-L167 WeakPolarHBondContact O-CA 3.29Å; M164-L167 WeakPolarHBondContact O-CB 3.44Å; M164-L167 PolarHBondContact O-N 3.49Å; M164-M187 HydrophobicContact CB-CE 3.93Å; M164-M187 HydrophobicContact CB-CG 4.25Å; M164-M187 HydrophobicContact CB-SD 4.14Å; M164-M187 HydrophobicContact SD-CG 4.34Å; M164-L191 HydrophobicContact SD-CD1 4.32Å |
| 165 | E | 83.4 | Confident | 91.1 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | -129.3 | -173.5 | -54.1 | -66.2 | 173.6 | 0 | 0 | 111.5 | R140 L167 W202 P204 | R140-E165 VanDerWaalsContact CB-OE1 3.22Å; R140-E165 WeakPolarHBondContact CB-OE1 3.37Å; R140-E165 WeakPolarHBondContact CG-OE1 3.3Å; R140-E165 IonicContact CZ-OE2 3.86Å; R140-E165 PolarHBondContact N-OE1 2.63Å; R140-E165 IonicContact NE-OE1 3.11Å; R140-E165 IonicContact NE-OE2 2.66Å; R140-E165 PolarHBondContact NE-OE2 3.22Å; R140-E165 IonicContact NH2-OE2 2.63Å; R140-E165 PolarHBondContact NH2-OE2 2.87Å; E165-L167 VanDerWaalsContact C-N 3.26Å; E165-L167 PolarHBondContact O-N 3.14Å; E165-W202 HydrophobicContact CB-CH2 4.24Å; E165-P204 HydrophobicContact CB-CB 3.89Å; E165-P204 HydrophobicContact CG-CB 3.66Å; E165-P204 HydrophobicContact CG-CG 4.05Å |
| 166 | S | 79.7 | Confident | 91.3 | Very high | 97 Ų | 97 | 49.5 Ų | 49.5 | 68% | 0.678 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -7.4 | 174.2 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | M164 | M164-S166 PolarHBondContact O-N 3.33Š|
| 167 | L | 88.5 | Confident | 91.5 | Very high | 20 Ų | 20 | 51 Ų | 51 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 139.9 | -178.2 | -52.8 | -177.7 | 0 | 0 | 0 | 110.9 | M164 E165 M187 K190 L191 L194 W202 | M164-L167 PolarHBondContact N-O 2.93Å; M164-L167 WeakPolarHBondContact O-CA 3.29Å; M164-L167 WeakPolarHBondContact O-CB 3.44Å; M164-L167 PolarHBondContact O-N 3.49Å; E165-L167 VanDerWaalsContact C-N 3.26Å; E165-L167 PolarHBondContact O-N 3.14Å; L167-M187 HydrophobicContact CB-CE 4.13Å; L167-M187 HydrophobicContact CB-SD 3.71Å; L167-M187 HydrophobicContact CD1-SD 4.26Å; L167-K190 HydrophobicContact CB-CD 4.49Å; L167-K190 HydrophobicContact CD1-CD 4.44Å; L167-L191 HydrophobicContact CD1-CD2 3.66Å; L167-L191 HydrophobicContact CD1-CG 4.44Å; L167-L194 HydrophobicContact CD1-CD1 3.71Å; L167-L194 HydrophobicContact CD2-CD1 3.94Å; L167-W202 HydrophobicContact CD1-CH2 3.8Å; L167-W202 HydrophobicContact CD1-CZ2 3.67Å; L167-W202 HydrophobicContact CD1-CZ3 4.42Å; L167-W202 HydrophobicContact CD2-CZ2 4.36Å; L167-W202 HydrophobicContact CG-CH2 4.07Å; L167-W202 HydrophobicContact CG-CZ2 3.88Å |
| 168 | T | 92.8 | Very high | 91.5 | Very high | 65 Ų | 65 | 50.5 Ų | 50.5 | 40% | 0.399 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 140 | 170.8 | -60.8 | 0 | 0 | 0 | 0 | 108.5 | T161 C162 K190 | T161-T168 HydrophobicContact CG2-CG2 3.27Å; C162-T168 WeakPolarHBondContact O-CA 3.39Å; T168-K190 PolarHBondContact O-NZ 3.4Å |
| 169 | E | 96.3 | Very high | 91.5 | Very high | 46 Ų | 46 | 49.7 Ų | 49.7 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.1 | 175.4 | -84 | -55.8 | 137.8 | 0 | 0 | 111.1 | T161 C162 K186 M187 K190 | T161-E169 CarbonylContact C-O 3.58Å; T161-E169 WeakPolarHBondContact CA-O 3.42Å; C162-E169 PolarHBondContact N-O 3.44Å; C162-E169 PolarHBondContact O-N 3.28Å; E169-K186 HydrophobicContact CB-CB 4.02Å; E169-K186 HydrophobicContact CG-CB 4.06Å; E169-M187 HydrophobicContact CB-CE 4.06Å; E169-M187 HydrophobicContact CG-CE 4.33Å; E169-M187 HydrophobicContact CG-SD 4.39Å; E169-K190 HydrophobicContact CG-CB 4.5Å; E169-K190 HydrophobicContact CG-CD 3.73Å; E169-K190 WeakPolarHBondContact OE1-CD 3.24Å; E169-K190 WeakPolarHBondContact OE1-CE 3.42Å; E169-K190 IonicContact OE1-NZ 3.83Å; E169-K190 PolarHBondContact OE1-NZ 3.41Å |
| 170 | T | 95.4 | Very high | 91.4 | Very high | 53 Ų | 53 | 52.9 Ų | 52.9 | 33% | 0.325 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131.5 | -176.1 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | T159 V160 T161 K186 | T159-T170 HydrophobicContact CG2-CG2 3.38Å; V160-T170 WeakPolarHBondContact O-CA 3.2Å; T161-T170 PolarHBondContact OG1-OG1 3.29Å; T170-K186 WeakPolarHBondContact O-CD 3.42Å; T170-K186 PolarHBondContact O-NZ 3.04Å |
| 171 | A | 95.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 164.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T159 V160 A182 A183 K186 | T159-A171 WeakPolarHBondContact CA-O 3.42Å; V160-A171 PolarHBondContact N-O 3.18Å; V160-A171 PolarHBondContact O-N 3.14Å; A171-A182 HydrophobicContact CB-CB 3.63Å; A171-A183 HydrophobicContact CB-CB 3.94Å; A171-A183 VanDerWaalsContact CB-N 3.29Å; A171-K186 HydrophobicContact CB-CD 4.2Å |
| 172 | M | 93.5 | Very high | 91.2 | Very high | 108 Ų | 108 | 54.1 Ų | 54.1 | 53% | 0.532 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 157.1 | -178.7 | -55.7 | -172.7 | -54.6 | 0 | 0 | 110 | E157 F158 T159 | E157-M172 HydrophobicContact CG-CB 4.41Å; F158-M172 CarbonylContact O-C 3.59Å; F158-M172 VanDerWaalsContact O-CA 3.27Å; F158-M172 WeakPolarHBondContact O-CA 3.44Å; T159-M172 HydrophobicContact CG2-CG 4.18Å |
| 173 | G | 91.9 | Very high | 91.3 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | 160.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F158 S175 | F158-G173 PolarHBondContact N-O 3.21Å; F158-G173 PolarHBondContact O-N 3.36Å; G173-S175 PolarHBondContact O-N 3Å; G173-S175 VanDerWaalsContact O-N 3.14Å |
| 174 | N | 88.5 | Confident | 91.5 | Very high | 113 Ų | 113 | 50.3 Ų | 50.3 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -69 | -6.1 | -180 | 64 | 8.1 | 0 | 0 | 0 | 114.6 | R156 | R156-N174 WeakPolarHBondContact O-CA 3.4Š|
| 175 | S | 89.8 | Confident | 91.8 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -151.5 | 155.2 | 176.1 | 65.1 | 0 | 0 | 0 | 0 | 110.1 | G173 K177 V178 A179 | G173-S175 PolarHBondContact O-N 3Å; G173-S175 VanDerWaalsContact O-N 3.14Å; S175-K177 PolarHBondContact O-N 2.66Å; S175-K177 VanDerWaalsContact O-N 3.17Å; S175-V178 PolarHBondContact O-N 2.92Å; S175-V178 VanDerWaalsContact O-N 3.13Å; S175-V178 WeakPolarHBondContact OG-CB 3.47Å; S175-V178 VanDerWaalsContact OG-CG2 3.3Å; S175-V178 WeakPolarHBondContact OG-CG2 3.41Å; S175-V178 PolarHBondContact OG-N 3.42Å; S175-A179 WeakPolarHBondContact O-CB 3.36Å; S175-A179 PolarHBondContact O-N 3.49Å |
| 176 | K | 87.9 | Confident | 92.3 | Very high | 101 Ų | 101 | 56.9 Ų | 56.9 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -53.4 | -36.2 | 174.9 | -58.2 | -172.3 | -168.5 | -160.3 | 0 | 112.4 | V146 E149 F158 K180 | V146-K176 HydrophobicContact CG2-CD 4.28Å; E149-K176 WeakPolarHBondContact OE1-CE 3.48Å; E149-K176 IonicContact OE1-NZ 3.44Å; E149-K176 PolarHBondContact OE1-NZ 2.92Å; E149-K176 IonicContact OE2-NZ 3.69Å; E149-K176 PolarHBondContact OE2-NZ 3.48Å; F158-K176 HydrophobicContact CB-CG 4.49Å; F158-K176 HydrophobicContact CD1-CD 4.2Å; F158-K176 HydrophobicContact CD1-CG 3.38Å; F158-K176 HydrophobicContact CE1-CD 4.2Å; F158-K176 VanDerWaalsContact CE1-CE 3.41Å; F158-K176 HydrophobicContact CE1-CG 3.64Å; F158-K176 HydrophobicContact CG-CG 3.92Å; F158-K176 HydrophobicContact CZ-CG 4.36Å; K176-K180 WeakPolarHBondContact O-CB 3.37Å; K176-K180 PolarHBondContact O-N 3.15Å |
| 177 | K | 90 | Very high | 93 | Very high | 172 Ų | 172 | 52.3 Ų | 52.3 | 75% | 0.748 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67 | -47.8 | 177.8 | -173 | -176.5 | 178.3 | -172.8 | 0 | 111.9 | S175 K180 K181 | S175-K177 PolarHBondContact O-N 2.66Å; S175-K177 VanDerWaalsContact O-N 3.17Å; K177-K180 PolarHBondContact O-N 3.45Å; K177-K181 WeakPolarHBondContact O-CB 3.44Å; K177-K181 PolarHBondContact O-N 3.39Å |
| 178 | V | 91.3 | Very high | 93.2 | Very high | 68 Ų | 68 | 52.6 Ų | 52.6 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 179.2 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | S175 K180 K181 A182 | S175-V178 PolarHBondContact O-N 2.92Å; S175-V178 VanDerWaalsContact O-N 3.13Å; S175-V178 WeakPolarHBondContact OG-CB 3.47Å; S175-V178 VanDerWaalsContact OG-CG2 3.3Å; S175-V178 WeakPolarHBondContact OG-CG2 3.41Å; S175-V178 PolarHBondContact OG-N 3.42Å; V178-K180 PolarHBondContact O-N 3.34Å; V178-K181 PolarHBondContact O-N 2.87Å; V178-A182 WeakPolarHBondContact O-CB 3.34Å; V178-A182 PolarHBondContact O-N 2.96Å |
| 179 | A | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F158 V160 S175 A182 A183 | F158-A179 HydrophobicContact CB-CB 4.09Å; F158-A179 WeakPolarHBondContact O-CB 3.19Å; V160-A179 HydrophobicContact CB-CB 3.95Å; V160-A179 HydrophobicContact CG2-CB 3.52Å; S175-A179 WeakPolarHBondContact O-CB 3.36Å; S175-A179 PolarHBondContact O-N 3.49Å; A179-A182 PolarHBondContact O-N 3.2Å; A179-A183 WeakPolarHBondContact O-CB 3.12Å; A179-A183 PolarHBondContact O-N 3.02Å |
| 180 | K | 93.4 | Very high | 92.9 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 174.4 | -169.5 | -173.9 | -176.6 | -176.5 | 0 | 112.1 | V127 Y144 V160 K176 K177 V178 A183 A184 | V127-K180 HydrophobicContact CG1-CD 4.33Å; V127-K180 HydrophobicContact CG2-CG 4.24Å; Y144-K180 HydrophobicContact CD1-CD 4.21Å; Y144-K180 HydrophobicContact CD1-CG 3.41Å; Y144-K180 VanDerWaalsContact CD1-CG 3.41Å; Y144-K180 HydrophobicContact CD2-CD 4.48Å; Y144-K180 HydrophobicContact CE1-CG 3.7Å; Y144-K180 HydrophobicContact CG-CD 4.16Å; Y144-K180 HydrophobicContact CG-CG 3.84Å; V160-K180 HydrophobicContact CG1-CB 4.3Å; K176-K180 WeakPolarHBondContact O-CB 3.37Å; K176-K180 PolarHBondContact O-N 3.15Å; K177-K180 PolarHBondContact O-N 3.45Å; V178-K180 PolarHBondContact O-N 3.34Å; K180-A183 PolarHBondContact O-N 2.83Å; K180-A184 PolarHBondContact O-N 2.64Å; K180-A184 VanDerWaalsContact O-N 3.07Å |
| 181 | K | 94.3 | Very high | 92.6 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 10% | 0.096 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -48.6 | 177.3 | -177.9 | -176.7 | 176.4 | -174.4 | 0 | 111.6 | N121 P124 V127 K177 V178 A183 A184 E185 | N121-K181 PolarHBondContact OD1-NZ 3.07Å; P124-K181 WeakPolarHBondContact O-CE 3.29Å; V127-K181 HydrophobicContact CG2-CB 4.26Å; K177-K181 WeakPolarHBondContact O-CB 3.44Å; K177-K181 PolarHBondContact O-N 3.39Å; V178-K181 PolarHBondContact O-N 2.87Å; K181-A183 VanDerWaalsContact C-N 3.26Å; K181-A183 PolarHBondContact O-N 3.2Å; K181-A184 WeakPolarHBondContact O-CB 3.29Å; K181-A184 PolarHBondContact O-N 2.76Å; K181-A184 VanDerWaalsContact O-N 3.12Å; K181-E185 WeakPolarHBondContact CE-OE1 3.37Å; K181-E185 WeakPolarHBondContact CG-OE1 3.46Å; K181-E185 WeakPolarHBondContact O-CG 3.48Å; K181-E185 PolarHBondContact O-N 2.86Å |
| 182 | A | 94.7 | Very high | 92.3 | Very high | 23 Ų | 23 | 52.9 Ų | 52.9 | 19% | 0.19 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -32.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A171 V178 A179 E185 K186 | A171-A182 HydrophobicContact CB-CB 3.63Å; V178-A182 WeakPolarHBondContact O-CB 3.34Å; V178-A182 PolarHBondContact O-N 2.96Å; A179-A182 PolarHBondContact O-N 3.2Å; A182-E185 PolarHBondContact O-N 3.21Å; A182-K186 PolarHBondContact O-N 2.89Å; A182-K186 VanDerWaalsContact O-N 3.11Å |
| 183 | A | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | V160 C162 A171 A179 K180 K181 M187 | V160-A183 HydrophobicContact CG1-CB 4.35Å; C162-A183 HydrophobicContact CB-CB 3.85Å; A171-A183 HydrophobicContact CB-CB 3.94Å; A171-A183 VanDerWaalsContact CB-N 3.29Å; A179-A183 WeakPolarHBondContact O-CB 3.12Å; A179-A183 PolarHBondContact O-N 3.02Å; K180-A183 PolarHBondContact O-N 2.83Å; K181-A183 VanDerWaalsContact C-N 3.26Å; K181-A183 PolarHBondContact O-N 3.2Å; A183-M187 PolarHBondContact O-N 2.84Å; A183-M187 VanDerWaalsContact O-N 3.12Å |
| 184 | A | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | V127 L130 Y144 K180 K181 M187 V188 | V127-A184 HydrophobicContact CB-CB 4.48Å; V127-A184 HydrophobicContact CG2-CB 3.98Å; L130-A184 HydrophobicContact CD2-CB 4.16Å; Y144-A184 HydrophobicContact CE1-CB 4.16Å; Y144-A184 WeakPolarHBondContact OH-CB 3.35Å; K180-A184 PolarHBondContact O-N 2.64Å; K180-A184 VanDerWaalsContact O-N 3.07Å; K181-A184 WeakPolarHBondContact O-CB 3.29Å; K181-A184 PolarHBondContact O-N 2.76Å; K181-A184 VanDerWaalsContact O-N 3.12Å; A184-M187 WeakPolarHBondContact O-CB 3.5Å; A184-M187 PolarHBondContact O-N 3.2Å; A184-M187 VanDerWaalsContact O-N 3.15Å; A184-V188 WeakPolarHBondContact O-CG2 3.17Å; A184-V188 PolarHBondContact O-N 3.36Å |
| 185 | E | 93.9 | Very high | 91.6 | Very high | 76 Ų | 76 | 53.6 Ų | 53.6 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 176.8 | -74.2 | 164.3 | -178.8 | 0 | 0 | 112.2 | S126 K181 A182 M187 V188 A189 | S126-E185 WeakPolarHBondContact OG-CG 3.22Å; S126-E185 PolarHBondContact OG-OE1 2.79Å; K181-E185 WeakPolarHBondContact CE-OE1 3.37Å; K181-E185 WeakPolarHBondContact CG-OE1 3.46Å; K181-E185 WeakPolarHBondContact O-CG 3.48Å; K181-E185 PolarHBondContact O-N 2.86Å; A182-E185 PolarHBondContact O-N 3.21Å; E185-M187 VanDerWaalsContact C-N 3.3Å; E185-M187 PolarHBondContact O-N 3.43Å; E185-V188 PolarHBondContact O-N 2.93Å; E185-A189 WeakPolarHBondContact O-CB 3.32Å; E185-A189 PolarHBondContact O-N 2.9Å |
| 186 | K | 94.8 | Very high | 91.1 | Very high | 99 Ų | 99 | 55.1 Ų | 55.1 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 172.6 | -73.1 | -170.4 | 179.6 | -169.8 | 0 | 112.3 | E169 T170 A171 A182 A189 K190 | E169-K186 HydrophobicContact CB-CB 4.02Å; E169-K186 HydrophobicContact CG-CB 4.06Å; T170-K186 WeakPolarHBondContact O-CD 3.42Å; T170-K186 PolarHBondContact O-NZ 3.04Å; A171-K186 HydrophobicContact CB-CD 4.2Å; A182-K186 PolarHBondContact O-N 2.89Å; A182-K186 VanDerWaalsContact O-N 3.11Å; K186-A189 PolarHBondContact O-N 2.8Å; K186-K190 WeakPolarHBondContact O-CB 3.49Å; K186-K190 PolarHBondContact O-N 3.44Å |
| 187 | M | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 177.5 | -169.8 | 63.9 | 77 | 0 | 0 | 111.8 | L130 C162 M164 L167 E169 A183 A184 E185 A189 K190 L191 | L130-M187 HydrophobicContact CD1-CG 4.15Å; L130-M187 HydrophobicContact CD2-CB 3.89Å; L130-M187 HydrophobicContact CD2-CG 3.88Å; C162-M187 HydrophobicContact CB-CE 4.3Å; C162-M187 WeakPolarHBondContact O-CE 3.21Å; M164-M187 HydrophobicContact CB-CE 3.93Å; M164-M187 HydrophobicContact CB-CG 4.25Å; M164-M187 HydrophobicContact CB-SD 4.14Å; M164-M187 HydrophobicContact SD-CG 4.34Å; L167-M187 HydrophobicContact CB-CE 4.13Å; L167-M187 HydrophobicContact CB-SD 3.71Å; L167-M187 HydrophobicContact CD1-SD 4.26Å; E169-M187 HydrophobicContact CB-CE 4.06Å; E169-M187 HydrophobicContact CG-CE 4.33Å; E169-M187 HydrophobicContact CG-SD 4.39Å; A183-M187 PolarHBondContact O-N 2.84Å; A183-M187 VanDerWaalsContact O-N 3.12Å; A184-M187 WeakPolarHBondContact O-CB 3.5Å; A184-M187 PolarHBondContact O-N 3.2Å; A184-M187 VanDerWaalsContact O-N 3.15Å; E185-M187 VanDerWaalsContact C-N 3.3Å; E185-M187 PolarHBondContact O-N 3.43Å; M187-A189 PolarHBondContact O-N 3.1Å; M187-K190 WeakPolarHBondContact O-CB 3.35Å; M187-K190 PolarHBondContact O-N 3.26Å; M187-L191 HydrophobicContact CG-CD1 4.44Å; M187-L191 VanDerWaalsContact O-CG 3.31Å; M187-L191 WeakPolarHBondContact O-CG 3.45Å; M187-L191 PolarHBondContact O-N 2.83Å |
| 188 | V | 91.4 | Very high | 89.6 | Confident | 26 Ų | 26 | 50 Ų | 50 | 16% | 0.158 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 175.1 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L130 A184 E185 K190 L191 Q192 I200 | L130-V188 HydrophobicContact CB-CG2 4.17Å; L130-V188 HydrophobicContact CD1-CG2 3.88Å; A184-V188 WeakPolarHBondContact O-CG2 3.17Å; A184-V188 PolarHBondContact O-N 3.36Å; E185-V188 PolarHBondContact O-N 2.93Å; V188-K190 VanDerWaalsContact C-N 3.31Å; V188-K190 PolarHBondContact O-N 2.9Å; V188-L191 WeakPolarHBondContact O-CB 3.34Å; V188-L191 PolarHBondContact O-N 3.22Å; V188-Q192 WeakPolarHBondContact O-CG 3.37Å; V188-Q192 PolarHBondContact O-N 2.82Å; V188-I200 HydrophobicContact CG1-CD1 4.25Å |
| 189 | A | 90.9 | Very high | 89 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -37.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E185 K186 M187 Q192 N193 | E185-A189 WeakPolarHBondContact O-CB 3.32Å; E185-A189 PolarHBondContact O-N 2.9Å; K186-A189 PolarHBondContact O-N 2.8Å; M187-A189 PolarHBondContact O-N 3.1Å; A189-Q192 PolarHBondContact O-N 2.95Å; A189-N193 WeakPolarHBondContact O-CB 3.36Å; A189-N193 PolarHBondContact O-N 3.27Å; A189-N193 PolarHBondContact O-ND2 3.02Å |
| 190 | K | 91.6 | Very high | 88.4 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 27% | 0.274 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.3 | -170.2 | 175.6 | -162.2 | 155.9 | 0 | 112 | L167 T168 E169 K186 M187 V188 N193 L194 | L167-K190 HydrophobicContact CB-CD 4.49Å; L167-K190 HydrophobicContact CD1-CD 4.44Å; T168-K190 PolarHBondContact O-NZ 3.4Å; E169-K190 HydrophobicContact CG-CB 4.5Å; E169-K190 HydrophobicContact CG-CD 3.73Å; E169-K190 WeakPolarHBondContact OE1-CD 3.24Å; E169-K190 WeakPolarHBondContact OE1-CE 3.42Å; E169-K190 IonicContact OE1-NZ 3.83Å; E169-K190 PolarHBondContact OE1-NZ 3.41Å; K186-K190 WeakPolarHBondContact O-CB 3.49Å; K186-K190 PolarHBondContact O-N 3.44Å; M187-K190 WeakPolarHBondContact O-CB 3.35Å; M187-K190 PolarHBondContact O-N 3.26Å; V188-K190 VanDerWaalsContact C-N 3.31Å; V188-K190 PolarHBondContact O-N 2.9Å; K190-N193 PolarHBondContact O-N 3.36Å; K190-L194 HydrophobicContact CG-CD1 4.25Å; K190-L194 VanDerWaalsContact O-CG 3.29Å; K190-L194 WeakPolarHBondContact O-CG 3.29Å; K190-L194 PolarHBondContact O-N 2.68Å |
| 191 | L | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 175.7 | -69.4 | 171.5 | 0 | 0 | 0 | 111.9 | L130 L133 M164 L167 M187 V188 L194 S195 I200 W202 | L130-L191 HydrophobicContact CD1-CD1 3.64Å; L133-L191 HydrophobicContact CD2-CD1 4.3Å; M164-L191 HydrophobicContact SD-CD1 4.32Å; L167-L191 HydrophobicContact CD1-CD2 3.66Å; L167-L191 HydrophobicContact CD1-CG 4.44Å; M187-L191 HydrophobicContact CG-CD1 4.44Å; M187-L191 VanDerWaalsContact O-CG 3.31Å; M187-L191 WeakPolarHBondContact O-CG 3.45Å; M187-L191 PolarHBondContact O-N 2.83Å; V188-L191 WeakPolarHBondContact O-CB 3.34Å; V188-L191 PolarHBondContact O-N 3.22Å; L191-L194 PolarHBondContact O-N 3.25Å; L191-S195 WeakPolarHBondContact O-CB 3.4Å; L191-S195 PolarHBondContact O-N 3.45Å; L191-S195 PolarHBondContact O-OG 3.47Å; L191-I200 HydrophobicContact CB-CD1 3.94Å; L191-I200 HydrophobicContact CB-CG1 4.21Å; L191-I200 HydrophobicContact CB-CG2 3.91Å; L191-I200 HydrophobicContact CD1-CD1 4.46Å; L191-W202 HydrophobicContact CD2-CD2 3.69Å; L191-W202 HydrophobicContact CD2-CE3 3.21Å; L191-W202 HydrophobicContact CD2-CG 4.34Å; L191-W202 HydrophobicContact CD2-CH2 4.14Å; L191-W202 HydrophobicContact CD2-CZ3 3.46Å; L191-W202 VanDerWaalsContact CD2-CZ3 3.46Å |
| 192 | Q | 89.6 | Confident | 87.3 | Confident | 70 Ų | 70 | 54.9 Ų | 54.9 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 174.5 | -70.3 | 173.5 | -43.6 | 0 | 0 | 111.8 | V188 A189 L194 S195 G196 P198 I200 | V188-Q192 WeakPolarHBondContact O-CG 3.37Å; V188-Q192 PolarHBondContact O-N 2.82Å; A189-Q192 PolarHBondContact O-N 2.95Å; Q192-L194 VanDerWaalsContact C-N 3.31Å; Q192-L194 PolarHBondContact O-N 3.01Å; Q192-S195 WeakPolarHBondContact O-CA 3.42Å; Q192-S195 WeakPolarHBondContact O-CB 3.49Å; Q192-S195 PolarHBondContact O-N 2.76Å; Q192-G196 PolarHBondContact O-N 2.92Å; Q192-P198 PolarHBondContact NE2-O 3.19Å; Q192-P198 VanDerWaalsContact NE2-O 3.13Å; Q192-I200 HydrophobicContact CG-CD1 3.98Å; Q192-I200 HydrophobicContact CG-CG1 3.6Å |
| 193 | N | 89 | Confident | 86.6 | Confident | 135 Ų | 135 | 58.6 Ų | 58.6 | 72% | 0.722 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.9 | -39.7 | 176.5 | -73.3 | -29.2 | 0 | 0 | 0 | 112.5 | A189 K190 S195 G196 | A189-N193 WeakPolarHBondContact O-CB 3.36Å; A189-N193 PolarHBondContact O-N 3.27Å; A189-N193 PolarHBondContact O-ND2 3.02Å; K190-N193 PolarHBondContact O-N 3.36Å; N193-S195 VanDerWaalsContact C-N 3.28Å; N193-S195 PolarHBondContact O-N 2.88Å; N193-G196 PolarHBondContact O-N 3.33Å |
| 194 | L | 85.9 | Confident | 85.8 | Confident | 92 Ų | 92 | 59.7 Ų | 59.7 | 48% | 0.482 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.8 | -21.1 | 174.9 | -67.9 | 169.8 | 0 | 0 | 0 | 113.4 | L167 K190 L191 Q192 W202 | L167-L194 HydrophobicContact CD1-CD1 3.71Å; L167-L194 HydrophobicContact CD2-CD1 3.94Å; K190-L194 HydrophobicContact CG-CD1 4.25Å; K190-L194 VanDerWaalsContact O-CG 3.29Å; K190-L194 WeakPolarHBondContact O-CG 3.29Å; K190-L194 PolarHBondContact O-N 2.68Å; L191-L194 PolarHBondContact O-N 3.25Å; Q192-L194 VanDerWaalsContact C-N 3.31Å; Q192-L194 PolarHBondContact O-N 3.01Å; L194-W202 HydrophobicContact CB-CB 4.39Å; L194-W202 HydrophobicContact CB-CG 4.12Å |
| 195 | S | 84.6 | Confident | 84.9 | Confident | 20 Ų | 20 | 67 Ų | 67 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -83.4 | -20.2 | 175.6 | -56.4 | 0 | 0 | 0 | 0 | 112.7 | L191 Q192 N193 C197 E199 I200 T201 W202 | L191-S195 WeakPolarHBondContact O-CB 3.4Å; L191-S195 PolarHBondContact O-N 3.45Å; L191-S195 PolarHBondContact O-OG 3.47Å; Q192-S195 WeakPolarHBondContact O-CA 3.42Å; Q192-S195 WeakPolarHBondContact O-CB 3.49Å; Q192-S195 PolarHBondContact O-N 2.76Å; N193-S195 VanDerWaalsContact C-N 3.28Å; N193-S195 PolarHBondContact O-N 2.88Å; S195-C197 PolarHBondContact O-N 3.43Å; S195-E199 WeakPolarHBondContact CB-O 3.42Å; S195-I200 WeakPolarHBondContact OG-CA 3.48Å; S195-T201 WeakPolarHBondContact CB-OG1 3.46Å; S195-T201 PolarHBondContact OG-N 3.46Å; S195-T201 VanDerWaalsContact OG-N 3.1Å; S195-W202 WeakPolarHBondContact OG-CB 3.29Å; S195-W202 PolarHBondContact OG-N 3.17Å |
| 196 | G | 79.1 | Confident | 84.1 | Confident | 72 Ų | 72 | 66.4 Ų | 66.4 | 74% | 0.742 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 3.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q192 N193 | Q192-G196 PolarHBondContact O-N 2.92Å; N193-G196 PolarHBondContact O-N 3.33Å |
| 197 | C | 72.6 | Confident | 83.6 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -149.7 | 164.5 | -177.5 | 63.4 | 0 | 0 | 0 | 0 | 110.4 | S195 E199 | S195-C197 PolarHBondContact O-N 3.43Å; C197-E199 PolarHBondContact O-N 2.93Å; C197-E199 PolarHBondContact SG-O 3.21Å |
| 198 | P | 72.5 | Confident | 83.2 | Confident | 114 Ų | 114 | 63.9 Ų | 63.9 | 74% | 0.74 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -68.4 | -20.4 | -177.9 | 26.2 | -35.2 | 0 | 0 | 0 | 113.9 | Q192 | Q192-P198 PolarHBondContact NE2-O 3.19Å; Q192-P198 VanDerWaalsContact NE2-O 3.13Å |
| 199 | E | 80.4 | Confident | 82.9 | Confident | 136 Ų | 136 | 67.8 Ų | 67.8 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -83.5 | 130.7 | 171.4 | -173.6 | 174.3 | 177.3 | 0 | 0 | 110.1 | S195 C197 T201 | S195-E199 WeakPolarHBondContact CB-O 3.42Å; C197-E199 PolarHBondContact O-N 2.93Å; C197-E199 PolarHBondContact SG-O 3.21Å; E199-T201 PolarHBondContact O-N 3.38Å |
| 200 | I | 80.8 | Confident | 82.6 | Confident | 20 Ų | 20 | 67 Ų | 67 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | trans | -79.9 | 99.3 | -178.7 | -61.2 | 168.4 | 0 | 0 | 0 | 109.3 | L133 R137 W139 V188 L191 Q192 S195 W202 | L133-I200 HydrophobicContact CD2-CB 4.31Å; L133-I200 HydrophobicContact CD2-CD1 3.53Å; L133-I200 HydrophobicContact CD2-CG2 4.2Å; R137-I200 PolarHBondContact NH2-O 3.48Å; W139-I200 HydrophobicContact CH2-CG2 4.13Å; V188-I200 HydrophobicContact CG1-CD1 4.25Å; L191-I200 HydrophobicContact CB-CD1 3.94Å; L191-I200 HydrophobicContact CB-CG1 4.21Å; L191-I200 HydrophobicContact CB-CG2 3.91Å; L191-I200 HydrophobicContact CD1-CD1 4.46Å; Q192-I200 HydrophobicContact CG-CD1 3.98Å; Q192-I200 HydrophobicContact CG-CG1 3.6Å; S195-I200 WeakPolarHBondContact OG-CA 3.48Å; I200-W202 HydrophobicContact CG2-CB 4.4Å | ||
| 201 | T | 80.4 | Confident | 82.2 | Confident | 77 Ų | 77 | 69.8 Ų | 69.8 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | trans | -98.7 | -14.5 | 174.6 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | S195 E199 T203 | S195-T201 WeakPolarHBondContact CB-OG1 3.46Å; S195-T201 PolarHBondContact OG-N 3.46Å; S195-T201 VanDerWaalsContact OG-N 3.1Å; E199-T201 PolarHBondContact O-N 3.38Å; T201-T203 PolarHBondContact O-N 2.97Å | ||
| 202 | W | 84.2 | Confident | 82 | Confident | 37 Ų | 37 | 73.6 Ų | 73.6 | 14% | 0.14 | 41% | 0.407 | C | S | . | . | trans | -51.3 | 132.2 | 174.1 | 178.3 | 84.2 | 0 | 0 | 0 | 111.1 | W139 E165 L167 L191 L194 S195 I200 P204 | W139-W202 HydrophobicContact CH2-CE3 4.12Å; W139-W202 WeakPolarHBondContact CH2-O 3.44Å; W139-W202 HydrophobicContact CZ2-CE3 4.4Å; W139-W202 WeakPolarHBondContact CZ2-O 3.31Å; W139-W202 HydrophobicContact CZ3-CE3 4.47Å; E165-W202 HydrophobicContact CB-CH2 4.24Å; L167-W202 HydrophobicContact CD1-CH2 3.8Å; L167-W202 HydrophobicContact CD1-CZ2 3.67Å; L167-W202 HydrophobicContact CD1-CZ3 4.42Å; L167-W202 HydrophobicContact CD2-CZ2 4.36Å; L167-W202 HydrophobicContact CG-CH2 4.07Å; L167-W202 HydrophobicContact CG-CZ2 3.88Å; L191-W202 HydrophobicContact CD2-CD2 3.69Å; L191-W202 HydrophobicContact CD2-CE3 3.21Å; L191-W202 HydrophobicContact CD2-CG 4.34Å; L191-W202 HydrophobicContact CD2-CH2 4.14Å; L191-W202 HydrophobicContact CD2-CZ3 3.46Å; L191-W202 VanDerWaalsContact CD2-CZ3 3.46Å; L194-W202 HydrophobicContact CB-CB 4.39Å; L194-W202 HydrophobicContact CB-CG 4.12Å; S195-W202 WeakPolarHBondContact OG-CB 3.29Å; S195-W202 PolarHBondContact OG-N 3.17Å; I200-W202 HydrophobicContact CG2-CB 4.4Å; W202-P204 HydrophobicContact CH2-CB 3.58Å; W202-P204 HydrophobicContact CH2-CG 4.41Å; W202-P204 HydrophobicContact CZ2-CB 4.19Å; W202-P204 HydrophobicContact CZ3-CB 3.86Å; W202-P204 HydrophobicContact CZ3-CG 4.2Å | ||
| 203 | T | 80.1 | Confident | 81.8 | Confident | 101 Ų | 101 | 70.3 Ų | 70.3 | 62% | 0.62 | 39% | 0.392 | S | S | * | . | trans | -114.8 | 139.3 | 169.6 | 49.2 | 0 | 0 | 0 | 0 | 109.4 | T201 | T201-T203 PolarHBondContact O-N 2.97Š| ||
| 204 | P | 79.4 | Confident | 81.5 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 139.7 | 171.3 | 27.4 | -32.1 | 0 | 0 | 0 | 109.7 | W139 E165 W202 | W139-P204 HydrophobicContact CD2-CG 4.41Å; W139-P204 VanDerWaalsContact CE2-CD 3.45Å; W139-P204 HydrophobicContact CG-CG 4.09Å; E165-P204 HydrophobicContact CB-CB 3.89Å; E165-P204 HydrophobicContact CG-CB 3.66Å; E165-P204 HydrophobicContact CG-CG 4.05Å; W202-P204 HydrophobicContact CH2-CB 3.58Å; W202-P204 HydrophobicContact CH2-CG 4.41Å; W202-P204 HydrophobicContact CZ2-CB 4.19Å; W202-P204 HydrophobicContact CZ3-CB 3.86Å; W202-P204 HydrophobicContact CZ3-CG 4.2Å |
| 205 | K | 75.3 | Confident | 81.3 | Confident | 154 Ų | 154 | 69.5 Ų | 69.5 | 67% | 0.67 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 134.1 | 163.2 | -72.8 | -164.1 | 171.2 | -160.5 | 0 | 108.6 | S207 | K205-S207 PolarHBondContact O-N 2.89Š|
| 206 | P | 78.4 | Confident | 81.4 | Confident | 63 Ų | 63 | 69.6 Ų | 69.6 | 41% | 0.409 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 131.3 | 175.2 | -21.9 | 32.4 | 0 | 0 | 0 | 108.7 | E250 S272 | P206-E250 HydrophobicContact CB-CB 4.25Å; P206-E250 HydrophobicContact CG-CB 4.23Å; P206-S272 WeakPolarHBondContact O-CB 3.47Å; P206-S272 PolarHBondContact O-OG 3.36Å |
| 207 | S | 82.9 | Confident | 81.7 | Confident | 37 Ų | 37 | 71.7 Ų | 71.7 | 26% | 0.259 | 39% | 0.385 | S | S | . | . | trans | -157.5 | 127.3 | -178.8 | -178.7 | 0 | 0 | 0 | 0 | 112.6 | R140 K205 G248 S272 | R140-S207 PolarHBondContact NH1-O 2.8Å; R140-S207 PolarHBondContact NH2-O 3.12Å; K205-S207 PolarHBondContact O-N 2.89Å; S207-G248 PolarHBondContact N-O 2.83Å; S207-S272 WeakPolarHBondContact CA-O 3.41Å; S207-S272 WeakPolarHBondContact CB-O 3.48Å; S207-S272 PolarHBondContact OG-O 3.15Å | ||
| 208 | V | 86.8 | Confident | 82.5 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 6% | 0.055 | 38% | 0.381 | C | S | . | . | trans | -115 | 140.1 | -177.8 | 74.4 | 0 | 0 | 0 | 0 | 110.7 | N212 L213 F249 T273 S274 | V208-N212 HydrophobicContact CG2-CB 3.93Å; V208-L213 HydrophobicContact CG1-CD1 3.9Å; V208-L213 HydrophobicContact CG1-CD2 3.9Å; V208-L213 HydrophobicContact CG1-CG 3.88Å; V208-L213 HydrophobicContact CG2-CD2 4.02Å; V208-L213 HydrophobicContact CG2-CG 4.26Å; V208-F249 HydrophobicContact CB-CB 4.17Å; V208-F249 HydrophobicContact CB-CD1 4.49Å; V208-F249 HydrophobicContact CG1-CB 3.71Å; V208-F249 HydrophobicContact CG1-CD1 3.66Å; V208-F249 HydrophobicContact CG1-CG 3.89Å; V208-T273 HydrophobicContact CG1-CG2 3.83Å; V208-T273 CarbonylContact O-C 3.6Å; V208-T273 WeakPolarHBondContact O-CA 3.42Å; V208-S274 PolarHBondContact O-N 3.33Å | ||
| 209 | R | 85.9 | Confident | 83.4 | Confident | 108 Ų | 108 | 71.8 Ų | 71.8 | 41% | 0.408 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -69.7 | 135.2 | 166.9 | -77.1 | -177.2 | 175.9 | 145.8 | -0.4 | 108.6 | R163 E211 N212 | R163-R209 VanDerWaalsContact NH2-NH2 3.12Å; R209-E211 PolarHBondContact O-N 3.38Å; R209-E211 VanDerWaalsContact O-N 3.14Å; R209-N212 WeakPolarHBondContact O-CB 3.35Å; R209-N212 PolarHBondContact O-N 2.72Å |
| 210 | L | 84.6 | Confident | 84 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57 | -32.3 | -180 | -175.6 | 58.1 | 0 | 0 | 0 | 112 | N212 L213 R214 S274 Y300 M304 | L210-N212 VanDerWaalsContact C-N 3.3Å; L210-N212 PolarHBondContact O-N 2.67Å; L210-L213 HydrophobicContact CD1-CD1 4.08Å; L210-L213 WeakPolarHBondContact O-CB 3.25Å; L210-L213 PolarHBondContact O-N 3.28Å; L210-R214 PolarHBondContact O-N 3.06Å; L210-S274 PolarHBondContact N-O 3Å; L210-Y300 HydrophobicContact CD1-CE1 4.08Å; L210-Y300 HydrophobicContact CD2-CE1 3.9Å; L210-Y300 WeakPolarHBondContact CD2-OH 3.35Å; L210-M304 HydrophobicContact CD1-CB 4.21Å; L210-M304 HydrophobicContact CD1-CG 4.43Å; L210-M304 HydrophobicContact CD2-CG 4.17Å; L210-M304 HydrophobicContact CG-CB 4.46Å |
| 211 | E | 83.5 | Confident | 84.4 | Confident | 121 Ų | 121 | 67.7 Ų | 67.7 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.2 | -30.5 | 173.3 | -58.9 | -175.8 | 151.1 | 0 | 0 | 114.3 | R209 R214 N215 | R209-E211 PolarHBondContact O-N 3.38Å; R209-E211 VanDerWaalsContact O-N 3.14Å; E211-R214 PolarHBondContact O-N 2.99Å; E211-N215 PolarHBondContact O-N 3.13Å |
| 212 | N | 86.1 | Confident | 84.9 | Confident | 80 Ų | 80 | 66 Ų | 66 | 43% | 0.428 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.6 | -37.4 | 177.1 | -67.3 | 6.2 | 0 | 0 | 0 | 110.4 | V208 R209 L210 R214 N215 S216 | V208-N212 HydrophobicContact CG2-CB 3.93Å; R209-N212 WeakPolarHBondContact O-CB 3.35Å; R209-N212 PolarHBondContact O-N 2.72Å; L210-N212 VanDerWaalsContact C-N 3.3Å; L210-N212 PolarHBondContact O-N 2.67Å; N212-R214 VanDerWaalsContact C-N 3.31Å; N212-R214 PolarHBondContact O-N 2.94Å; N212-N215 PolarHBondContact O-N 3.42Å; N212-S216 WeakPolarHBondContact O-CB 3.18Å; N212-S216 PolarHBondContact O-N 2.82Å |
| 213 | L | 85.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 174.8 | -60.8 | -178.5 | 0 | 0 | 0 | 110.8 | V208 L210 N215 S216 Q247 F249 T273 I301 | V208-L213 HydrophobicContact CG1-CD1 3.9Å; V208-L213 HydrophobicContact CG1-CD2 3.9Å; V208-L213 HydrophobicContact CG1-CG 3.88Å; V208-L213 HydrophobicContact CG2-CD2 4.02Å; V208-L213 HydrophobicContact CG2-CG 4.26Å; L210-L213 HydrophobicContact CD1-CD1 4.08Å; L210-L213 WeakPolarHBondContact O-CB 3.25Å; L210-L213 PolarHBondContact O-N 3.28Å; L213-N215 VanDerWaalsContact C-N 3.3Å; L213-N215 PolarHBondContact O-N 3.28Å; L213-S216 WeakPolarHBondContact O-CB 3.21Å; L213-S216 PolarHBondContact O-N 3.46Å; L213-Q247 HydrophobicContact CD2-CB 3.48Å; L213-Q247 VanDerWaalsContact CD2-CB 3.48Å; L213-Q247 HydrophobicContact CD2-CG 3.66Å; L213-F249 HydrophobicContact CD1-CE1 4.25Å; L213-F249 HydrophobicContact CD2-CD1 4.26Å; L213-F249 HydrophobicContact CD2-CE1 4.04Å; L213-T273 HydrophobicContact CD1-CG2 4.15Å; L213-I301 HydrophobicContact CB-CG2 4.36Å; L213-I301 HydrophobicContact CD1-CG1 4.46Å; L213-I301 HydrophobicContact CD1-CG2 4.08Å |
| 214 | R | 81.9 | Confident | 85.6 | Confident | 90 Ų | 90 | 63 Ų | 63 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58 | -40.6 | 175.3 | 177.2 | -177 | 62.6 | -176.6 | -7.8 | 113.1 | L210 E211 N212 I307 | L210-R214 PolarHBondContact O-N 3.06Å; E211-R214 PolarHBondContact O-N 2.99Å; N212-R214 VanDerWaalsContact C-N 3.31Å; N212-R214 PolarHBondContact O-N 2.94Å; R214-I307 VanDerWaalsContact CD-O 3.24Å; R214-I307 WeakPolarHBondContact CD-O 3.45Å |
| 215 | N | 82.4 | Confident | 86.1 | Confident | 119 Ų | 119 | 66 Ų | 66 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -89.5 | -2.5 | -176.8 | -65.5 | -19.1 | 0 | 0 | 0 | 113.7 | E211 N212 L213 S217 | E211-N215 PolarHBondContact O-N 3.13Å; N212-N215 PolarHBondContact O-N 3.42Å; L213-N215 VanDerWaalsContact C-N 3.3Å; L213-N215 PolarHBondContact O-N 3.28Å; N215-S217 PolarHBondContact O-N 3.4Å |
| 216 | S | 86.8 | Confident | 86.7 | Confident | 23 Ų | 23 | 68 Ų | 68 | 16% | 0.161 | 34% | 0.341 | C | S | . | . | trans | -73.8 | 124.7 | -172.3 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | N212 L213 R225 Q247 | N212-S216 WeakPolarHBondContact O-CB 3.18Å; N212-S216 PolarHBondContact O-N 2.82Å; L213-S216 WeakPolarHBondContact O-CB 3.21Å; L213-S216 PolarHBondContact O-N 3.46Å; S216-R225 PolarHBondContact O-NH2 2.85Å; S216-Q247 VanDerWaalsContact OG-CD 3.26Å; S216-Q247 PolarHBondContact OG-NE2 3.13Å; S216-Q247 PolarHBondContact OG-OE1 3.32Å | ||
| 217 | S | 85.6 | Confident | 87 | Confident | 116 Ų | 116 | 68.6 Ų | 68.6 | 81% | 0.811 | 34% | 0.341 | S | S | * | . | trans | -94.2 | 8.2 | 179.1 | 65 | 0 | 0 | 0 | 0 | 114 | N215 | N215-S217 PolarHBondContact O-N 3.4Š| ||
| 218 | A | 89.5 | Confident | 87.2 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 26% | 0.256 | 35% | 0.353 | S | S | . | . | trans | -71.5 | 167.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | S222 E246 | A218-S222 WeakPolarHBondContact O-CB 3.47Å; A218-S222 PolarHBondContact O-N 3.5Å; A218-E246 HydrophobicContact CB-CG 3.78Å; A218-E246 WeakPolarHBondContact CB-OE1 3.18Å; A218-E246 VanDerWaalsContact CB-OE2 3.32Å; A218-E246 WeakPolarHBondContact CB-OE2 3.4Å | ||
| 219 | E | 91.9 | Very high | 87.1 | Confident | 136 Ų | 136 | 71.1 Ų | 71.1 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -70.2 | -50.9 | -164.9 | -173 | 178.4 | -170.6 | 0 | 0 | 112.5 | M221 S222 L223 E246 | E219-M221 VanDerWaalsContact C-N 3.3Å; E219-M221 PolarHBondContact O-N 3.42Å; E219-S222 WeakPolarHBondContact O-CB 3.45Å; E219-S222 PolarHBondContact O-N 2.92Å; E219-S222 VanDerWaalsContact O-N 3.07Å; E219-L223 HydrophobicContact CG-CD1 4.08Å; E219-L223 HydrophobicContact CG-CG 4.48Å; E219-L223 WeakPolarHBondContact O-CG 3.39Å; E219-L223 PolarHBondContact O-N 3.08Å; E219-E246 PolarHBondContact N-OE1 3.05Å |
| 220 | K | 91.4 | Very high | 86.8 | Confident | 70 Ų | 70 | 71.2 Ų | 71.2 | 30% | 0.304 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 179 | -51.6 | -66.5 | 177.2 | 170 | 0 | 110.5 | S222 L223 L224 E242 L243 E246 | K220-S222 PolarHBondContact O-N 2.92Å; K220-L223 HydrophobicContact CD-CD1 4.39Å; K220-L223 PolarHBondContact O-N 3.2Å; K220-L224 WeakPolarHBondContact O-CB 3.49Å; K220-L224 PolarHBondContact O-N 3.49Å; K220-E242 HydrophobicContact CD-CB 4.27Å; K220-E242 WeakPolarHBondContact CE-OE2 3.41Å; K220-E242 HydrophobicContact CG-CB 4.48Å; K220-E242 IonicContact NZ-OE2 2.66Å; K220-E242 PolarHBondContact NZ-OE2 3.41Å; K220-L243 HydrophobicContact CB-CD1 3.86Å; K220-E246 VanDerWaalsContact CB-OE2 3.31Å; K220-E246 WeakPolarHBondContact CB-OE2 3.48Å; K220-E246 HydrophobicContact CG-CB 4.32Å; K220-E246 WeakPolarHBondContact CG-OE1 3.37Å; K220-E246 PolarHBondContact N-OE1 3.1Å; K220-E246 PolarHBondContact N-OE2 2.97Å |
| 221 | M | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.6 | -43 | 169.6 | -103.1 | -68.9 | 110.8 | 0 | 0 | 113.7 | E219 L224 R225 L243 E246 Q247 I301 A305 | E219-M221 VanDerWaalsContact C-N 3.3Å; E219-M221 PolarHBondContact O-N 3.42Å; M221-L224 HydrophobicContact CE-CD2 3.54Å; M221-R225 WeakPolarHBondContact O-CG 3.22Å; M221-R225 PolarHBondContact O-N 3.26Å; M221-R225 VanDerWaalsContact O-N 3.17Å; M221-R225 PolarHBondContact O-NE 3.45Å; M221-L243 HydrophobicContact CE-CD1 3.57Å; M221-L243 HydrophobicContact CE-CD2 3.81Å; M221-L243 HydrophobicContact CE-CG 4.19Å; M221-L243 HydrophobicContact CG-CD1 4.05Å; M221-E246 PolarHBondContact N-OE2 3.01Å; M221-Q247 HydrophobicContact CG-CG 4.14Å; M221-I301 HydrophobicContact CE-CG2 3.43Å; M221-I301 VanDerWaalsContact CE-CG2 3.43Å; M221-A305 HydrophobicContact SD-CB 4.34Å |
| 222 | S | 90.1 | Very high | 86 | Confident | 43 Ų | 43 | 73.3 Ų | 73.3 | 30% | 0.301 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 177 | -167.6 | 0 | 0 | 0 | 0 | 112.3 | A218 E219 K220 R225 R226 | A218-S222 WeakPolarHBondContact O-CB 3.47Å; A218-S222 PolarHBondContact O-N 3.5Å; E219-S222 WeakPolarHBondContact O-CB 3.45Å; E219-S222 PolarHBondContact O-N 2.92Å; E219-S222 VanDerWaalsContact O-N 3.07Å; K220-S222 PolarHBondContact O-N 2.92Å; S222-R225 PolarHBondContact O-N 3.44Å; S222-R226 WeakPolarHBondContact O-CB 3.31Å; S222-R226 WeakPolarHBondContact O-CG 3.41Å; S222-R226 PolarHBondContact O-N 2.84Å |
| 223 | L | 89.9 | Confident | 85.5 | Confident | 68 Ų | 68 | 77.8 Ų | 77.8 | 36% | 0.356 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 175.3 | -71.8 | 169.3 | 0 | 0 | 0 | 111.6 | E219 K220 R225 R226 N227 | E219-L223 HydrophobicContact CG-CD1 4.08Å; E219-L223 HydrophobicContact CG-CG 4.48Å; E219-L223 WeakPolarHBondContact O-CG 3.39Å; E219-L223 PolarHBondContact O-N 3.08Å; K220-L223 HydrophobicContact CD-CD1 4.39Å; K220-L223 PolarHBondContact O-N 3.2Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 2.88Å; L223-R226 PolarHBondContact O-N 3.21Å; L223-N227 WeakPolarHBondContact O-CB 3.27Å; L223-N227 PolarHBondContact O-N 3.35Å; L223-N227 PolarHBondContact O-ND2 2.94Å |
| 224 | L | 90.1 | Very high | 85.7 | Confident | 7 Ų | 7 | 79 Ų | 79 | 4% | 0.037 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 175.9 | -177.4 | 66.1 | 0 | 0 | 0 | 111.5 | K220 M221 R226 L229 L243 L298 I301 K302 | K220-L224 WeakPolarHBondContact O-CB 3.49Å; K220-L224 PolarHBondContact O-N 3.49Å; M221-L224 HydrophobicContact CE-CD2 3.54Å; L224-R226 PolarHBondContact O-N 2.98Å; L224-L229 HydrophobicContact CD1-CD1 4.03Å; L224-L229 HydrophobicContact CD1-CD2 3.83Å; L224-L229 HydrophobicContact CD1-CG 4.23Å; L224-L243 HydrophobicContact CD2-CD2 3.92Å; L224-L298 HydrophobicContact CD1-CB 4.17Å; L224-L298 HydrophobicContact CD1-CD2 4.02Å; L224-L298 HydrophobicContact CD2-CD2 4.38Å; L224-I301 HydrophobicContact CD2-CB 4.36Å; L224-I301 HydrophobicContact CD2-CG2 4.31Å; L224-K302 HydrophobicContact CD1-CB 4.45Å; L224-K302 HydrophobicContact CD2-CB 4.13Å; L224-K302 HydrophobicContact CG-CB 4.05Å; L224-K302 HydrophobicContact CG-CG 4.44Å; L224-K302 VanDerWaalsContact O-CD 3.31Å; L224-K302 WeakPolarHBondContact O-CD 3.28Å; L224-K302 VanDerWaalsContact O-CE 3.28Å; L224-K302 WeakPolarHBondContact O-CE 3.37Å; L224-K302 PolarHBondContact O-NZ 3.29Å |
| 225 | R | 88.6 | Confident | 86.2 | Confident | 85 Ų | 85 | 79.1 Ų | 79.1 | 32% | 0.321 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 177.4 | -76.2 | -175.1 | -87.1 | 109.4 | -7.5 | 111.6 | S216 M221 S222 L223 K302 A305 | S216-R225 PolarHBondContact O-NH2 2.85Å; M221-R225 WeakPolarHBondContact O-CG 3.22Å; M221-R225 PolarHBondContact O-N 3.26Å; M221-R225 VanDerWaalsContact O-N 3.17Å; M221-R225 PolarHBondContact O-NE 3.45Å; S222-R225 PolarHBondContact O-N 3.44Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 2.88Å; R225-K302 WeakPolarHBondContact O-CE 3.44Å; R225-K302 PolarHBondContact O-NZ 3.18Å; R225-A305 HydrophobicContact CG-CB 4.36Å |
| 226 | R | 87.4 | Confident | 86.8 | Confident | 195 Ų | 195 | 74.4 Ų | 74.4 | 74% | 0.736 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -74.5 | -41.7 | -177.2 | -73 | 171.7 | 57.9 | 87.2 | 1.3 | 114.8 | S222 L223 L224 | S222-R226 WeakPolarHBondContact O-CB 3.31Å; S222-R226 WeakPolarHBondContact O-CG 3.41Å; S222-R226 PolarHBondContact O-N 2.84Å; L223-R226 PolarHBondContact O-N 3.21Å; L224-R226 PolarHBondContact O-N 2.98Å |
| 227 | N | 85.7 | Confident | 87.2 | Confident | 77 Ų | 77 | 75.8 Ų | 75.8 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -92.5 | 139.7 | -167.8 | -63.7 | -25.8 | 0 | 0 | 0 | 112.2 | L223 K302 | L223-N227 WeakPolarHBondContact O-CB 3.27Å; L223-N227 PolarHBondContact O-N 3.35Å; L223-N227 PolarHBondContact O-ND2 2.94Å; N227-K302 PolarHBondContact O-NZ 3.27Å |
| 228 | P | 86.3 | Confident | 87.6 | Confident | 81 Ų | 81 | 74.4 Ų | 74.4 | 53% | 0.526 | 39% | 0.391 | S | S | . | . | trans | -68.3 | 140.9 | 173.8 | 29.6 | -34.1 | 0 | 0 | 0 | 110.6 | S230 I231 | P228-S230 PolarHBondContact O-N 3.05Å; P228-I231 WeakPolarHBondContact O-CD1 3.37Å | ||
| 229 | L | 86.2 | Confident | 87.9 | Confident | 17 Ų | 17 | 76.2 Ų | 76.2 | 9% | 0.089 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -86.1 | 25.6 | 173.6 | -67.9 | 170.5 | 0 | 0 | 0 | 111.7 | L224 Y236 M239 H295 L298 Q299 K302 | L224-L229 HydrophobicContact CD1-CD1 4.03Å; L224-L229 HydrophobicContact CD1-CD2 3.83Å; L224-L229 HydrophobicContact CD1-CG 4.23Å; L229-Y236 HydrophobicContact CD2-CD1 4.4Å; L229-Y236 HydrophobicContact CD2-CE1 4.12Å; L229-Y236 PolarHBondContact O-OH 3.27Å; L229-Y236 VanDerWaalsContact O-OH 3.04Å; L229-M239 HydrophobicContact CD2-SD 4.03Å; L229-H295 PolarHBondContact O-NE2 3.07Å; L229-L298 HydrophobicContact CD1-CB 3.88Å; L229-L298 HydrophobicContact CD2-CB 4.23Å; L229-L298 HydrophobicContact CD2-CD1 4.36Å; L229-Q299 HydrophobicContact CD1-CB 4.36Å; L229-Q299 HydrophobicContact CD1-CG 3.77Å; L229-K302 HydrophobicContact CD1-CD 4.27Å |
| 230 | S | 79.8 | Confident | 88 | Confident | 110 Ų | 110 | 69.7 Ų | 69.7 | 77% | 0.769 | 36% | 0.364 | S | S | * | . | trans | -106.7 | 28 | -175.9 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | P228 | P228-S230 PolarHBondContact O-N 3.05Š| ||
| 231 | I | 77 | Confident | 88.2 | Confident | 84 Ų | 84 | 70.3 Ų | 70.3 | 43% | 0.431 | 37% | 0.37 | S | S | . | . | trans | -93 | 115.8 | -171.3 | -57.3 | 170.7 | 0 | 0 | 0 | 108.7 | P228 T234 Y236 | P228-I231 WeakPolarHBondContact O-CD1 3.37Å; I231-T234 VanDerWaalsContact CB-OG1 3.26Å; I231-T234 WeakPolarHBondContact CB-OG1 3.35Å; I231-T234 VanDerWaalsContact CG2-OG1 3.28Å; I231-T234 WeakPolarHBondContact CG2-OG1 3.35Å; I231-T234 PolarHBondContact O-OG1 2.68Å; I231-Y236 PolarHBondContact N-OH 3.44Å; I231-Y236 PolarHBondContact O-OH 2.99Å | ||
| 232 | P | 72.9 | Confident | 88.3 | Confident | 106 Ų | 106 | 73.6 Ų | 73.6 | 69% | 0.688 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 149.4 | -179.8 | 27.6 | -34.5 | 0 | 0 | 0 | 111.2 | T234 | P232-T234 PolarHBondContact O-N 2.79Š|
| 233 | N | 76.4 | Confident | 88.5 | Confident | 175 Ų | 175 | 71.7 Ų | 71.7 | 94% | 0.936 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 27.1 | -179.1 | -51.2 | -33.8 | 0 | 0 | 0 | 114.9 | ||
| 234 | T | 88 | Confident | 88.7 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 16% | 0.16 | 36% | 0.356 | C | S | . | . | trans | -82.8 | 134.9 | 172.3 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | I231 P232 Y236 M239 N291 | I231-T234 VanDerWaalsContact CB-OG1 3.26Å; I231-T234 WeakPolarHBondContact CB-OG1 3.35Å; I231-T234 VanDerWaalsContact CG2-OG1 3.28Å; I231-T234 WeakPolarHBondContact CG2-OG1 3.35Å; I231-T234 PolarHBondContact O-OG1 2.68Å; P232-T234 PolarHBondContact O-N 2.79Å; T234-Y236 HydrophobicContact CG2-CD1 3.76Å; T234-Y236 HydrophobicContact CG2-CE1 3.57Å; T234-Y236 HydrophobicContact CG2-CG 4.41Å; T234-Y236 PolarHBondContact O-N 3.01Å; T234-M239 HydrophobicContact CG2-CE 4.01Å; T234-N291 PolarHBondContact O-ND2 3.44Å; T234-N291 VanDerWaalsContact O-ND2 3.11Å | ||
| 235 | D | 92.9 | Very high | 88.7 | Confident | 92 Ų | 92 | 74 Ų | 74 | 49% | 0.492 | 39% | 0.385 | S | S | . | . | trans | -79.9 | 93.9 | 165.4 | -170.4 | -21.3 | 0 | 0 | 0 | 109.3 | I237 Q238 M239 | D235-I237 VanDerWaalsContact C-N 3.31Å; D235-I237 WeakPolarHBondContact OD1-CA 3.28Å; D235-I237 WeakPolarHBondContact OD1-CB 3.31Å; D235-I237 PolarHBondContact OD1-N 3.01Å; D235-Q238 HydrophobicContact CB-CB 4.13Å; D235-Q238 PolarHBondContact OD1-N 2.68Å; D235-M239 PolarHBondContact O-N 3.5Å | ||
| 236 | Y | 95.1 | Very high | 88.9 | Confident | 20 Ų | 20 | 73 Ų | 73 | 8% | 0.078 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -74.8 | -23.8 | 176.5 | -63.4 | -59.7 | 0 | 0 | 0 | 111.6 | L229 I231 T234 M239 M240 N291 H295 L298 | L229-Y236 HydrophobicContact CD2-CD1 4.4Å; L229-Y236 HydrophobicContact CD2-CE1 4.12Å; L229-Y236 PolarHBondContact O-OH 3.27Å; L229-Y236 VanDerWaalsContact O-OH 3.04Å; I231-Y236 PolarHBondContact N-OH 3.44Å; I231-Y236 PolarHBondContact O-OH 2.99Å; T234-Y236 HydrophobicContact CG2-CD1 3.76Å; T234-Y236 HydrophobicContact CG2-CE1 3.57Å; T234-Y236 HydrophobicContact CG2-CG 4.41Å; T234-Y236 PolarHBondContact O-N 3.01Å; Y236-M239 PolarHBondContact O-N 2.87Å; Y236-M240 WeakPolarHBondContact O-CB 3.38Å; Y236-M240 PolarHBondContact O-N 3.24Å; Y236-N291 WeakPolarHBondContact CB-OD1 3.44Å; Y236-N291 WeakPolarHBondContact CD2-ND2 3.39Å; Y236-N291 PolarHBondContact N-OD1 2.88Å; Y236-H295 AromaticContact CD1-CD2 3.87Å; Y236-H295 HydrophobicContact CD2-CB 3.69Å; Y236-H295 AromaticContact CD2-CD2 3.71Å; Y236-H295 AromaticContact CD2-CG 3.99Å; Y236-H295 AromaticContact CE1-CD2 3.59Å; Y236-H295 HydrophobicContact CE2-CB 4.18Å; Y236-H295 AromaticContact CE2-CD2 3.42Å; Y236-H295 VanDerWaalsContact CE2-CD2 3.42Å; Y236-H295 WeakPolarHBondContact CE2-CD2 3.38Å; Y236-H295 AromaticContact CE2-CG 3.97Å; Y236-H295 AromaticContact CE2-NE2 3.99Å; Y236-H295 HydrophobicContact CG-CB 3.98Å; Y236-H295 AromaticContact CG-CD2 3.94Å; Y236-H295 AromaticContact CZ-CD2 3.36Å; Y236-H295 AromaticContact CZ-NE2 3.75Å; Y236-L298 HydrophobicContact CD1-CD1 3.94Å; Y236-L298 HydrophobicContact CG-CD1 4.38Å |
| 237 | I | 95.3 | Very high | 89 | Confident | 53 Ų | 53 | 65 Ų | 65 | 27% | 0.272 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.2 | -48.3 | 175.7 | -52.7 | 175.2 | 0 | 0 | 0 | 109.2 | D235 M240 L241 Y253 H290 N291 A294 | D235-I237 VanDerWaalsContact C-N 3.31Å; D235-I237 WeakPolarHBondContact OD1-CA 3.28Å; D235-I237 WeakPolarHBondContact OD1-CB 3.31Å; D235-I237 PolarHBondContact OD1-N 3.01Å; I237-M240 PolarHBondContact O-N 3.43Å; I237-L241 WeakPolarHBondContact O-CB 3.43Å; I237-L241 PolarHBondContact O-N 3.45Å; I237-Y253 HydrophobicContact CG2-CE2 4.19Å; I237-H290 HydrophobicContact CD1-CB 3.69Å; I237-H290 HydrophobicContact CG1-CB 4.5Å; I237-N291 HydrophobicContact CD1-CB 4.33Å; I237-N291 HydrophobicContact CG1-CB 4.28Å; I237-A294 HydrophobicContact CG1-CB 4.08Å |
| 238 | Q | 94.8 | Very high | 89.1 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 40% | 0.402 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 175.7 | 178.4 | 58.8 | 26.7 | 0 | 0 | 111.9 | D235 M240 L241 E242 | D235-Q238 HydrophobicContact CB-CB 4.13Å; D235-Q238 PolarHBondContact OD1-N 2.68Å; Q238-M240 VanDerWaalsContact C-N 3.29Å; Q238-M240 PolarHBondContact O-N 3.37Å; Q238-L241 PolarHBondContact O-N 3.38Å; Q238-E242 PolarHBondContact NE2-OE1 2.92Å; Q238-E242 WeakPolarHBondContact O-CG 3.37Å; Q238-E242 PolarHBondContact O-N 3.49Å |
| 239 | M | 94.3 | Very high | 89.4 | Confident | 69 Ų | 69 | 59.7 Ų | 59.7 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 175.4 | -174.7 | -180 | -59.9 | 0 | 0 | 112 | L229 T234 D235 Y236 L243 L298 | L229-M239 HydrophobicContact CD2-SD 4.03Å; T234-M239 HydrophobicContact CG2-CE 4.01Å; D235-M239 PolarHBondContact O-N 3.5Å; Y236-M239 PolarHBondContact O-N 2.87Å; M239-L243 WeakPolarHBondContact O-CB 3.37Å; M239-L243 PolarHBondContact O-N 2.88Å; M239-L243 VanDerWaalsContact O-N 3.1Å; M239-L298 HydrophobicContact CB-CD1 4.07Å; M239-L298 HydrophobicContact CG-CD1 4.01Å; M239-L298 HydrophobicContact CG-CD2 4.35Å; M239-L298 HydrophobicContact SD-CD1 3.87Å |
| 240 | M | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 178.2 | -171.6 | 65 | -156.9 | 0 | 0 | 112 | Y236 I237 Q238 L243 S244 F249 V251 L271 A294 A297 L298 I301 | Y236-M240 WeakPolarHBondContact O-CB 3.38Å; Y236-M240 PolarHBondContact O-N 3.24Å; I237-M240 PolarHBondContact O-N 3.43Å; Q238-M240 VanDerWaalsContact C-N 3.29Å; Q238-M240 PolarHBondContact O-N 3.37Å; M240-L243 PolarHBondContact O-N 3.17Å; M240-S244 WeakPolarHBondContact O-CB 3.37Å; M240-S244 PolarHBondContact O-N 2.89Å; M240-F249 HydrophobicContact CE-CE2 3.41Å; M240-F249 VanDerWaalsContact CE-CE2 3.41Å; M240-F249 HydrophobicContact CE-CZ 3.57Å; M240-V251 HydrophobicContact CE-CG2 3.52Å; M240-V251 HydrophobicContact CG-CG1 4.39Å; M240-V251 HydrophobicContact CG-CG2 4.1Å; M240-L271 HydrophobicContact CE-CD2 3.59Å; M240-L271 HydrophobicContact CE-CG 3.86Å; M240-A294 HydrophobicContact CB-CB 4.3Å; M240-A297 HydrophobicContact CE-CB 4.26Å; M240-A297 HydrophobicContact SD-CB 4.08Å; M240-L298 HydrophobicContact CB-CD1 4.4Å; M240-L298 HydrophobicContact CB-CD2 4.35Å; M240-L298 HydrophobicContact CB-CG 4.29Å; M240-L298 HydrophobicContact SD-CD2 3.61Å; M240-L298 HydrophobicContact SD-CG 3.76Å; M240-I301 HydrophobicContact CE-CD1 3.79Å; M240-I301 HydrophobicContact SD-CD1 4.23Å |
| 241 | L | 94.5 | Very high | 90.4 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 174.7 | 179.7 | 60.4 | 0 | 0 | 0 | 112.5 | I237 Q238 L243 S244 N245 | I237-L241 WeakPolarHBondContact O-CB 3.43Å; I237-L241 PolarHBondContact O-N 3.45Å; Q238-L241 PolarHBondContact O-N 3.38Å; L241-L243 VanDerWaalsContact C-N 3.26Å; L241-L243 PolarHBondContact O-N 2.84Å; L241-S244 PolarHBondContact O-N 2.97Å; L241-S244 PolarHBondContact O-OG 3.48Å; L241-N245 WeakPolarHBondContact O-CB 3.5Å; L241-N245 PolarHBondContact O-N 3.36Å; L241-N245 PolarHBondContact O-ND2 2.69Å; L241-N245 VanDerWaalsContact O-ND2 3.11Å |
| 242 | E | 94.5 | Very high | 91.3 | Very high | 69 Ų | 69 | 57.1 Ų | 57.1 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 174.5 | -73.9 | 178.1 | -162.4 | 0 | 0 | 111.6 | K220 Q238 E246 | K220-E242 HydrophobicContact CD-CB 4.27Å; K220-E242 WeakPolarHBondContact CE-OE2 3.41Å; K220-E242 HydrophobicContact CG-CB 4.48Å; K220-E242 IonicContact NZ-OE2 2.66Å; K220-E242 PolarHBondContact NZ-OE2 3.41Å; Q238-E242 PolarHBondContact NE2-OE1 2.92Å; Q238-E242 WeakPolarHBondContact O-CG 3.37Å; Q238-E242 PolarHBondContact O-N 3.49Å; E242-E246 WeakPolarHBondContact O-CB 3.33Å; E242-E246 PolarHBondContact O-N 3.07Å; E242-E246 VanDerWaalsContact O-N 3.09Å |
| 243 | L | 93.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.6 | -42.9 | 177.2 | -173.8 | 69 | 0 | 0 | 0 | 112.4 | K220 M221 L224 M239 M240 L241 N245 E246 Q247 L298 I301 | K220-L243 HydrophobicContact CB-CD1 3.86Å; M221-L243 HydrophobicContact CE-CD1 3.57Å; M221-L243 HydrophobicContact CE-CD2 3.81Å; M221-L243 HydrophobicContact CE-CG 4.19Å; M221-L243 HydrophobicContact CG-CD1 4.05Å; L224-L243 HydrophobicContact CD2-CD2 3.92Å; M239-L243 WeakPolarHBondContact O-CB 3.37Å; M239-L243 PolarHBondContact O-N 2.88Å; M239-L243 VanDerWaalsContact O-N 3.1Å; M240-L243 PolarHBondContact O-N 3.17Å; L241-L243 VanDerWaalsContact C-N 3.26Å; L241-L243 PolarHBondContact O-N 2.84Å; L243-N245 VanDerWaalsContact C-N 3.33Å; L243-N245 PolarHBondContact O-N 2.96Å; L243-E246 PolarHBondContact O-N 3.36Å; L243-Q247 HydrophobicContact CD1-CG 4.06Å; L243-Q247 HydrophobicContact CG-CG 4.36Å; L243-Q247 WeakPolarHBondContact O-CB 3.38Å; L243-Q247 VanDerWaalsContact O-CG 3.22Å; L243-Q247 WeakPolarHBondContact O-CG 3.47Å; L243-Q247 PolarHBondContact O-N 3.45Å; L243-L298 HydrophobicContact CD2-CD2 3.72Å; L243-I301 HydrophobicContact CD2-CD1 3.97Å |
| 244 | S | 93.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.9 | -39.1 | -179.2 | 78.4 | 0 | 0 | 0 | 0 | 111.4 | M240 L241 Q247 G248 F249 | M240-S244 WeakPolarHBondContact O-CB 3.37Å; M240-S244 PolarHBondContact O-N 2.89Å; L241-S244 PolarHBondContact O-N 2.97Å; L241-S244 PolarHBondContact O-OG 3.48Å; S244-Q247 PolarHBondContact O-N 3.4Å; S244-G248 PolarHBondContact O-N 2.78Å; S244-F249 CarbonylContact C-O 3.46Å; S244-F249 VanDerWaalsContact CB-O 3.22Å; S244-F249 WeakPolarHBondContact CB-O 3.44Å; S244-F249 PolarHBondContact O-N 2.9Å; S244-F249 PolarHBondContact OG-O 3.27Å |
| 245 | N | 91.4 | Very high | 93.8 | Very high | 119 Ų | 119 | 53.3 Ų | 53.3 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 172.8 | -71.9 | -29 | 0 | 0 | 0 | 112.8 | L241 L243 Q247 | L241-N245 WeakPolarHBondContact O-CB 3.5Å; L241-N245 PolarHBondContact O-N 3.36Å; L241-N245 PolarHBondContact O-ND2 2.69Å; L241-N245 VanDerWaalsContact O-ND2 3.11Å; L243-N245 VanDerWaalsContact C-N 3.33Å; L243-N245 PolarHBondContact O-N 2.96Å; N245-Q247 VanDerWaalsContact C-N 3.32Å; N245-Q247 PolarHBondContact O-N 3.05Å |
| 246 | E | 91.8 | Very high | 94 | Very high | 66 Ų | 66 | 51.8 Ų | 51.8 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | 177.1 | -174.9 | -173.4 | -112.9 | 0 | 0 | 112.2 | A218 E219 K220 M221 E242 L243 | A218-E246 HydrophobicContact CB-CG 3.78Å; A218-E246 WeakPolarHBondContact CB-OE1 3.18Å; A218-E246 VanDerWaalsContact CB-OE2 3.32Å; A218-E246 WeakPolarHBondContact CB-OE2 3.4Å; E219-E246 PolarHBondContact N-OE1 3.05Å; K220-E246 VanDerWaalsContact CB-OE2 3.31Å; K220-E246 WeakPolarHBondContact CB-OE2 3.48Å; K220-E246 HydrophobicContact CG-CB 4.32Å; K220-E246 WeakPolarHBondContact CG-OE1 3.37Å; K220-E246 PolarHBondContact N-OE1 3.1Å; K220-E246 PolarHBondContact N-OE2 2.97Å; M221-E246 PolarHBondContact N-OE2 3.01Å; E242-E246 WeakPolarHBondContact O-CB 3.33Å; E242-E246 PolarHBondContact O-N 3.07Å; E242-E246 VanDerWaalsContact O-N 3.09Å; L243-E246 PolarHBondContact O-N 3.36Å |
| 247 | Q | 90.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 58.8 Ų | 58.8 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -98.9 | -3.4 | -171 | -58.9 | -61 | -44.2 | 0 | 0 | 114.3 | L213 S216 M221 L243 S244 N245 F249 | L213-Q247 HydrophobicContact CD2-CB 3.48Å; L213-Q247 VanDerWaalsContact CD2-CB 3.48Å; L213-Q247 HydrophobicContact CD2-CG 3.66Å; S216-Q247 VanDerWaalsContact OG-CD 3.26Å; S216-Q247 PolarHBondContact OG-NE2 3.13Å; S216-Q247 PolarHBondContact OG-OE1 3.32Å; M221-Q247 HydrophobicContact CG-CG 4.14Å; L243-Q247 HydrophobicContact CD1-CG 4.06Å; L243-Q247 HydrophobicContact CG-CG 4.36Å; L243-Q247 WeakPolarHBondContact O-CB 3.38Å; L243-Q247 VanDerWaalsContact O-CG 3.22Å; L243-Q247 WeakPolarHBondContact O-CG 3.47Å; L243-Q247 PolarHBondContact O-N 3.45Å; S244-Q247 PolarHBondContact O-N 3.4Å; N245-Q247 VanDerWaalsContact C-N 3.32Å; N245-Q247 PolarHBondContact O-N 3.05Å; Q247-F249 HydrophobicContact CB-CD1 3.69Å; Q247-F249 HydrophobicContact CB-CE1 3.7Å; Q247-F249 HydrophobicContact CG-CE1 4.33Å |
| 248 | G | 87.5 | Confident | 93.9 | Very high | 41 Ų | 41 | 63.3 Ų | 63.3 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S207 S244 | S207-G248 PolarHBondContact N-O 2.83Å; S244-G248 PolarHBondContact O-N 2.78Å |
| 249 | F | 91.7 | Very high | 94 | Very high | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | trans | -133.8 | 165.5 | 172.8 | 72.5 | -90.5 | 0 | 0 | 0 | 112.3 | V208 L213 M240 S244 Q247 V251 L271 I301 | V208-F249 HydrophobicContact CB-CB 4.17Å; V208-F249 HydrophobicContact CB-CD1 4.49Å; V208-F249 HydrophobicContact CG1-CB 3.71Å; V208-F249 HydrophobicContact CG1-CD1 3.66Å; V208-F249 HydrophobicContact CG1-CG 3.89Å; L213-F249 HydrophobicContact CD1-CE1 4.25Å; L213-F249 HydrophobicContact CD2-CD1 4.26Å; L213-F249 HydrophobicContact CD2-CE1 4.04Å; M240-F249 HydrophobicContact CE-CE2 3.41Å; M240-F249 VanDerWaalsContact CE-CE2 3.41Å; M240-F249 HydrophobicContact CE-CZ 3.57Å; S244-F249 CarbonylContact C-O 3.46Å; S244-F249 VanDerWaalsContact CB-O 3.22Å; S244-F249 WeakPolarHBondContact CB-O 3.44Å; S244-F249 PolarHBondContact O-N 2.9Å; S244-F249 PolarHBondContact OG-O 3.27Å; Q247-F249 HydrophobicContact CB-CD1 3.69Å; Q247-F249 HydrophobicContact CB-CE1 3.7Å; Q247-F249 HydrophobicContact CG-CE1 4.33Å; F249-V251 HydrophobicContact CD2-CG2 4.1Å; F249-V251 HydrophobicContact CE2-CG2 3.69Å; F249-L271 HydrophobicContact CD2-CB 4.32Å; F249-L271 HydrophobicContact CE2-CB 4.22Å; F249-L271 HydrophobicContact CE2-CD2 4.02Å; F249-L271 HydrophobicContact CE2-CG 4.19Å; F249-I301 HydrophobicContact CZ-CD1 3.93Å | ||
| 250 | E | 92.1 | Very high | 94.1 | Very high | 79 Ų | 79 | 61 Ų | 61 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | trans | -109.7 | 148.6 | -176.9 | -174 | 175 | -161.2 | 0 | 0 | 109.4 | P206 S272 | P206-E250 HydrophobicContact CB-CB 4.25Å; P206-E250 HydrophobicContact CG-CB 4.23Å; E250-S272 PolarHBondContact N-OG 3.01Å; E250-S272 PolarHBondContact O-N 3.02Å; E250-S272 PolarHBondContact O-OG 2.8Å | ||
| 251 | V | 95.1 | Very high | 94 | Very high | 29 Ų | 29 | 68 Ų | 68 | 18% | 0.176 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 121.8 | 176.7 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | M240 F249 Y253 E270 | M240-V251 HydrophobicContact CE-CG2 3.52Å; M240-V251 HydrophobicContact CG-CG1 4.39Å; M240-V251 HydrophobicContact CG-CG2 4.1Å; F249-V251 HydrophobicContact CD2-CG2 4.1Å; F249-V251 HydrophobicContact CE2-CG2 3.69Å; V251-Y253 HydrophobicContact CG1-CD2 4.42Å; V251-Y253 HydrophobicContact CG1-CE1 4.43Å; V251-Y253 HydrophobicContact CG1-CE2 3.73Å; V251-E270 CarbonylContact C-O 3.16Å; V251-E270 WeakPolarHBondContact CA-O 3.17Å |
| 252 | T | 95.9 | Very high | 94 | Very high | 49 Ų | 49 | 70.4 Ų | 70.4 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.1 | 178.1 | -50.4 | 0 | 0 | 0 | 0 | 108.9 | F254 E270 | T252-F254 HydrophobicContact CG2-CD2 4.37Å; T252-F254 HydrophobicContact CG2-CE1 3.97Å; T252-F254 HydrophobicContact CG2-CE2 3.72Å; T252-F254 HydrophobicContact CG2-CZ 3.5Å; T252-F254 VanDerWaalsContact CG2-CZ 3.5Å; T252-E270 PolarHBondContact N-O 3.4Å; T252-E270 PolarHBondContact O-N 3.21Å |
| 253 | Y | 96.9 | Very high | 94.1 | Very high | 50 Ų | 50 | 69.2 Ų | 69.2 | 20% | 0.196 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132.4 | 176.2 | -63.2 | -89 | 0 | 0 | 0 | 109.8 | I237 V251 L268 A269 H290 A293 A294 | I237-Y253 HydrophobicContact CG2-CE2 4.19Å; V251-Y253 HydrophobicContact CG1-CD2 4.42Å; V251-Y253 HydrophobicContact CG1-CE1 4.43Å; V251-Y253 HydrophobicContact CG1-CE2 3.73Å; Y253-L268 CarbonylContact C-O 3.58Å; Y253-L268 WeakPolarHBondContact CA-O 3.42Å; Y253-A269 HydrophobicContact CD1-CB 3.92Å; Y253-A269 HydrophobicContact CE1-CB 3.74Å; Y253-H290 HydrophobicContact CD1-CB 4.33Å; Y253-H290 AromaticContact CG-ND1 3.94Å; Y253-A293 HydrophobicContact CE1-CB 4.49Å; Y253-A294 HydrophobicContact CE1-CB 4.09Å; Y253-A294 VanDerWaalsContact OH-CB 3.31Å; Y253-A294 WeakPolarHBondContact OH-CB 3.28Å |
| 254 | F | 97.4 | Very high | 94.2 | Very high | 99 Ų | 99 | 71.9 Ų | 71.9 | 43% | 0.434 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 113.7 | 176.6 | -59.2 | -82.6 | 0 | 0 | 0 | 109 | T252 C267 L268 E270 | T252-F254 HydrophobicContact CG2-CD2 4.37Å; T252-F254 HydrophobicContact CG2-CE1 3.97Å; T252-F254 HydrophobicContact CG2-CE2 3.72Å; T252-F254 HydrophobicContact CG2-CZ 3.5Å; T252-F254 VanDerWaalsContact CG2-CZ 3.5Å; F254-C267 CarbonylContact O-C 3.55Å; F254-C267 WeakPolarHBondContact O-CA 3.35Å; F254-L268 HydrophobicContact CB-CB 4.4Å; F254-L268 PolarHBondContact N-O 2.89Å; F254-L268 PolarHBondContact O-N 2.7Å; F254-E270 HydrophobicContact CD2-CB 4.33Å; F254-E270 HydrophobicContact CE2-CB 3.76Å |
| 255 | D | 96.6 | Very high | 94.4 | Very high | 79 Ų | 79 | 77.1 Ų | 77.1 | 42% | 0.422 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 142.6 | 170.7 | -68.1 | -66.5 | 0 | 0 | 0 | 110.6 | C286 H290 | D255-C286 PolarHBondContact OD1-SG 2.82Å; D255-H290 IonicContact OD1-CD2 3.29Å; D255-H290 PolarHBondContact OD1-CD2 3.38Å; D255-H290 VanDerWaalsContact OD1-CD2 3.29Å; D255-H290 IonicContact OD1-NE2 2.85Å; D255-H290 PolarHBondContact OD1-NE2 2.95Å; D255-H290 IonicContact OD2-CE1 3.67Å; D255-H290 IonicContact OD2-NE2 2.96Å; D255-H290 PolarHBondContact OD2-NE2 3.17Å |
| 256 | I | 96.5 | Very high | 94.7 | Very high | 59 Ų | 59 | 73 Ų | 73 | 30% | 0.303 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.8 | 171 | -61.4 | 170 | 0 | 0 | 0 | 107.2 | E258 Q266 L268 | I256-E258 HydrophobicContact CG2-CB 4.26Å; I256-E258 PolarHBondContact O-N 2.92Å; I256-Q266 HydrophobicContact CB-CB 3.91Å; I256-Q266 HydrophobicContact CD1-CB 4.24Å; I256-Q266 HydrophobicContact CG1-CB 4.5Å; I256-Q266 PolarHBondContact N-O 3.4Å; I256-L268 HydrophobicContact CD1-CD1 4.14Å; I256-L268 HydrophobicContact CD1-CD2 4.45Å; I256-L268 HydrophobicContact CD1-CG 3.97Å |
| 257 | D | 93.9 | Very high | 95 | Very high | 167 Ų | 167 | 69.9 Ų | 69.9 | 89% | 0.893 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -61.2 | -29.5 | -177.2 | -66.1 | -32.7 | 0 | 0 | 0 | 113.2 | ||
| 258 | E | 95.5 | Very high | 95.4 | Very high | 149 Ų | 149 | 71.4 Ų | 71.4 | 70% | 0.696 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -77.6 | 123.8 | 177 | -170.3 | 173.8 | -173 | 0 | 0 | 111 | I256 Q266 | I256-E258 HydrophobicContact CG2-CB 4.26Å; I256-E258 PolarHBondContact O-N 2.92Å; E258-Q266 PolarHBondContact O-NE2 2.86Å |
| 259 | L | 95.9 | Very high | 95.9 | Very high | 79 Ų | 79 | 69.4 Ų | 69.4 | 41% | 0.414 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 153.4 | 173.6 | -60.1 | 177.5 | 0 | 0 | 0 | 111.2 | Q264 Y265 | L259-Q264 CarbonylContact C-O 3.56Å; L259-Q264 VanDerWaalsContact CA-O 3.3Å; L259-Q264 WeakPolarHBondContact CA-O 3.34Å; L259-Y265 HydrophobicContact CD2-CD1 3.85Å; L259-Y265 HydrophobicContact CD2-CD2 4.26Å; L259-Y265 HydrophobicContact CD2-CE1 4.05Å; L259-Y265 HydrophobicContact CD2-CE2 4.46Å; L259-Y265 HydrophobicContact CD2-CG 3.97Å |
| 260 | T | 95.5 | Very high | 96.1 | Very high | 28 Ų | 28 | 72.3 Ų | 72.3 | 17% | 0.172 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 165.9 | 170.8 | 72.8 | 0 | 0 | 0 | 0 | 111.4 | N262 G263 Q264 Q266 T282 | T260-N262 PolarHBondContact O-N 3.36Å; T260-N262 PolarHBondContact OG1-N 3.41Å; T260-G263 PolarHBondContact O-N 3.37Å; T260-Q264 HydrophobicContact CG2-CB 4.05Å; T260-Q264 PolarHBondContact N-O 3.4Å; T260-Q264 WeakPolarHBondContact OG1-CB 3.47Å; T260-Q264 PolarHBondContact OG1-N 2.94Å; T260-Q264 VanDerWaalsContact OG1-N 3.13Å; T260-Q266 HydrophobicContact CG2-CG 3.44Å; T260-Q266 VanDerWaalsContact CG2-CG 3.44Å; T260-T282 HydrophobicContact CG2-CG2 4.01Å |
| 261 | V | 94.6 | Very high | 96.2 | Very high | 147 Ų | 147 | 68.6 Ų | 68.6 | 89% | 0.891 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -19.8 | 170.6 | -61.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 262 | N | 94.9 | Very high | 96.1 | Very high | 131 Ų | 131 | 68 Ų | 68 | 70% | 0.701 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 8.5 | 176.5 | -61.7 | -28.2 | 0 | 0 | 0 | 113 | T260 Q264 | T260-N262 PolarHBondContact O-N 3.36Å; T260-N262 PolarHBondContact OG1-N 3.41Å; N262-Q264 HydrophobicContact CB-CG 4.38Å |
| 263 | G | 94.9 | Very high | 95.8 | Very high | 45 Ų | 45 | 65.8 Ų | 65.8 | 46% | 0.464 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 73.9 | 21.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T260 | T260-G263 PolarHBondContact O-N 3.37Š|
| 264 | Q | 97.1 | Very high | 95.3 | Very high | 59 Ų | 59 | 66.3 Ų | 66.3 | 28% | 0.276 | 35% | 0.354 | S | S | . | . | trans | -92.1 | 145.4 | -179.5 | -60.8 | 168.9 | -57.4 | 0 | 0 | 111.3 | L259 T260 N262 G283 | L259-Q264 CarbonylContact C-O 3.56Å; L259-Q264 VanDerWaalsContact CA-O 3.3Å; L259-Q264 WeakPolarHBondContact CA-O 3.34Å; T260-Q264 HydrophobicContact CG2-CB 4.05Å; T260-Q264 PolarHBondContact N-O 3.4Å; T260-Q264 WeakPolarHBondContact OG1-CB 3.47Å; T260-Q264 PolarHBondContact OG1-N 2.94Å; T260-Q264 VanDerWaalsContact OG1-N 3.13Å; N262-Q264 HydrophobicContact CB-CG 4.38Å; Q264-G283 CarbonylContact C-O 3.55Å; Q264-G283 WeakPolarHBondContact CA-O 3.46Å; Q264-G283 WeakPolarHBondContact CB-O 3.23Å | ||
| 265 | Y | 97.7 | Very high | 94.9 | Very high | 113 Ų | 113 | 66.2 Ų | 66.2 | 44% | 0.443 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 152.3 | 168.7 | -65.8 | -93.1 | 0 | 0 | 0 | 110.4 | L259 T282 G283 S285 | L259-Y265 HydrophobicContact CD2-CD1 3.85Å; L259-Y265 HydrophobicContact CD2-CD2 4.26Å; L259-Y265 HydrophobicContact CD2-CE1 4.05Å; L259-Y265 HydrophobicContact CD2-CE2 4.46Å; L259-Y265 HydrophobicContact CD2-CG 3.97Å; Y265-T282 CarbonylContact O-C 3.57Å; Y265-T282 VanDerWaalsContact O-CA 3.26Å; Y265-T282 WeakPolarHBondContact O-CA 3.43Å; Y265-G283 PolarHBondContact N-O 2.94Å; Y265-G283 PolarHBondContact O-N 2.92Å; Y265-S285 VanDerWaalsContact CD2-CA 3.41Å |
| 266 | Q | 97.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 66.8 Ų | 66.8 | 16% | 0.159 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 141.7 | -174 | -66.1 | -165.6 | 90.1 | 0 | 0 | 110.8 | I256 E258 T260 H280 G281 T282 | I256-Q266 HydrophobicContact CB-CB 3.91Å; I256-Q266 HydrophobicContact CD1-CB 4.24Å; I256-Q266 HydrophobicContact CG1-CB 4.5Å; I256-Q266 PolarHBondContact N-O 3.4Å; E258-Q266 PolarHBondContact O-NE2 2.86Å; T260-Q266 HydrophobicContact CG2-CG 3.44Å; T260-Q266 VanDerWaalsContact CG2-CG 3.44Å; Q266-H280 PolarHBondContact OE1-NE2 2.81Å; Q266-G281 WeakPolarHBondContact CA-O 3.43Å; Q266-T282 HydrophobicContact CG-CG2 4.46Å |
| 267 | C | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147.7 | 179 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | F254 H280 G281 A289 H290 A293 | F254-C267 CarbonylContact O-C 3.55Å; F254-C267 WeakPolarHBondContact O-CA 3.35Å; C267-H280 CarbonylContact O-C 3.53Å; C267-H280 WeakPolarHBondContact O-CA 3.37Å; C267-G281 PolarHBondContact N-O 2.55Å; C267-G281 PolarHBondContact O-N 2.97Å; C267-A289 HydrophobicContact CB-CB 3.9Å; C267-H290 PolarHBondContact SG-CD2 3.49Å; C267-A293 HydrophobicContact CB-CB 4.18Å |
| 268 | L | 97.9 | Very high | 94.6 | Very high | 56 Ų | 56 | 60.1 Ų | 60.1 | 29% | 0.293 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122 | 166.9 | -61.9 | 174.8 | 0 | 0 | 0 | 109.6 | Y253 F254 I256 V278 C279 H280 | Y253-L268 CarbonylContact C-O 3.58Å; Y253-L268 WeakPolarHBondContact CA-O 3.42Å; F254-L268 HydrophobicContact CB-CB 4.4Å; F254-L268 PolarHBondContact N-O 2.89Å; F254-L268 PolarHBondContact O-N 2.7Å; I256-L268 HydrophobicContact CD1-CD1 4.14Å; I256-L268 HydrophobicContact CD1-CD2 4.45Å; I256-L268 HydrophobicContact CD1-CG 3.97Å; L268-V278 HydrophobicContact CB-CG1 4Å; L268-V278 HydrophobicContact CD1-CG1 4.49Å; L268-V278 HydrophobicContact CD2-CG1 4.09Å; L268-V278 HydrophobicContact CG-CG1 4.42Å; L268-C279 CarbonylContact C-O 3.05Å; L268-C279 WeakPolarHBondContact CA-O 3.45Å; L268-H280 HydrophobicContact CD2-CB 3.95Å |
| 269 | A | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 110.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y253 L271 V278 C279 A293 | Y253-A269 HydrophobicContact CD1-CB 3.92Å; Y253-A269 HydrophobicContact CE1-CB 3.74Å; A269-L271 WeakPolarHBondContact O-CD1 3.07Å; A269-V278 CarbonylContact O-C 3.46Å; A269-V278 WeakPolarHBondContact O-CA 3.42Å; A269-C279 PolarHBondContact N-O 3.46Å; A269-C279 PolarHBondContact O-N 3.09Å; A269-A293 HydrophobicContact CB-CB 3.91Å |
| 270 | E | 96.4 | Very high | 94.8 | Very high | 67 Ų | 67 | 53.8 Ų | 53.8 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 126.5 | 168.3 | -176.2 | -178.3 | 120.7 | 0 | 0 | 109.6 | V251 T252 F254 V276 V278 | V251-E270 CarbonylContact C-O 3.16Å; V251-E270 WeakPolarHBondContact CA-O 3.17Å; T252-E270 PolarHBondContact N-O 3.4Å; T252-E270 PolarHBondContact O-N 3.21Å; F254-E270 HydrophobicContact CD2-CB 4.33Å; F254-E270 HydrophobicContact CE2-CB 3.76Å; E270-V276 HydrophobicContact CG-CG1 3.74Å; E270-V278 HydrophobicContact CB-CG2 4.39Å; E270-V278 HydrophobicContact CG-CG2 4.26Å |
| 271 | L | 94.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.4 | 172.7 | -58.4 | 67.5 | 0 | 0 | 0 | 107.8 | M240 F249 A269 T273 T277 A297 I301 | M240-L271 HydrophobicContact CE-CD2 3.59Å; M240-L271 HydrophobicContact CE-CG 3.86Å; F249-L271 HydrophobicContact CD2-CB 4.32Å; F249-L271 HydrophobicContact CE2-CB 4.22Å; F249-L271 HydrophobicContact CE2-CD2 4.02Å; F249-L271 HydrophobicContact CE2-CG 4.19Å; A269-L271 WeakPolarHBondContact O-CD1 3.07Å; L271-T273 HydrophobicContact CB-CG2 4.09Å; L271-T273 PolarHBondContact O-N 2.85Å; L271-T273 PolarHBondContact O-OG1 3.49Å; L271-T273 VanDerWaalsContact O-OG1 3.13Å; L271-T277 HydrophobicContact CD1-CG2 4.24Å; L271-T277 HydrophobicContact CD2-CG2 4.41Å; L271-T277 PolarHBondContact N-O 3.06Å; L271-T277 PolarHBondContact O-N 3.04Å; L271-A297 HydrophobicContact CD1-CB 3.89Å; L271-A297 HydrophobicContact CD2-CB 4.3Å; L271-I301 HydrophobicContact CD2-CD1 3.72Å; L271-I301 HydrophobicContact CD2-CG1 4.12Å |
| 272 | S | 92.1 | Very high | 95 | Very high | 17 Ų | 17 | 47.4 Ų | 47.4 | 12% | 0.119 | 27% | 0.268 | C | S | . | . | trans | -70.6 | 29.1 | -178.8 | 71.5 | 0 | 0 | 0 | 0 | 115 | P206 S207 E250 | P206-S272 WeakPolarHBondContact O-CB 3.47Å; P206-S272 PolarHBondContact O-OG 3.36Å; S207-S272 WeakPolarHBondContact CA-O 3.41Å; S207-S272 WeakPolarHBondContact CB-O 3.48Å; S207-S272 PolarHBondContact OG-O 3.15Å; E250-S272 PolarHBondContact N-OG 3.01Å; E250-S272 PolarHBondContact O-N 3.02Å; E250-S272 PolarHBondContact O-OG 2.8Å | ||
| 273 | T | 91 | Very high | 95 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | trans | -62.8 | 165 | 172.4 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | V208 L213 L271 P275 V276 T277 | V208-T273 HydrophobicContact CG1-CG2 3.83Å; V208-T273 CarbonylContact O-C 3.6Å; V208-T273 WeakPolarHBondContact O-CA 3.42Å; L213-T273 HydrophobicContact CD1-CG2 4.15Å; L271-T273 HydrophobicContact CB-CG2 4.09Å; L271-T273 PolarHBondContact O-N 2.85Å; L271-T273 PolarHBondContact O-OG1 3.49Å; L271-T273 VanDerWaalsContact O-OG1 3.13Å; T273-P275 CarbonylContact C-O 3.5Å; T273-P275 WeakPolarHBondContact CB-O 3.43Å; T273-P275 CarbonylContact O-C 3.55Å; T273-P275 PolarHBondContact OG1-O 2.93Å; T273-V276 VanDerWaalsContact O-CA 3.29Å; T273-V276 WeakPolarHBondContact O-CA 3.31Å; T273-V276 PolarHBondContact O-N 3.29Å; T273-T277 VanDerWaalsContact OG1-CB 3.25Å; T273-T277 WeakPolarHBondContact OG1-CB 3.22Å; T273-T277 PolarHBondContact OG1-N 3.19Å; T273-T277 PolarHBondContact OG1-OG1 3.1Å | ||
| 274 | S | 86.6 | Confident | 95.1 | Very high | 61 Ų | 61 | 46 Ų | 46 | 43% | 0.427 | 25% | 0.25 | S | C | . | . | B | Isolated β-bridge | trans | -122 | 115.6 | 171.2 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | V208 L210 | V208-S274 PolarHBondContact O-N 3.33Å; L210-S274 PolarHBondContact N-O 3Å |
| 275 | P | 88.4 | Confident | 95 | Very high | 97 Ų | 97 | 45.2 Ų | 45.2 | 63% | 0.63 | 25% | 0.251 | S | S | * | . | S | Bend | cis | -61.1 | 161 | -9.6 | 31 | -37.1 | 0 | 0 | 0 | 112.2 | T273 T277 | T273-P275 CarbonylContact C-O 3.5Å; T273-P275 WeakPolarHBondContact CB-O 3.43Å; T273-P275 CarbonylContact O-C 3.55Å; T273-P275 PolarHBondContact OG1-O 2.93Å; P275-T277 PolarHBondContact O-N 3.44Å |
| 276 | V | 90.3 | Very high | 94.8 | Very high | 90 Ų | 90 | 42.1 Ų | 42.1 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | trans | -61.1 | 134 | 179 | 179 | 0 | 0 | 0 | 0 | 109.6 | E270 T273 V278 | E270-V276 HydrophobicContact CG-CG1 3.74Å; T273-V276 VanDerWaalsContact O-CA 3.29Å; T273-V276 WeakPolarHBondContact O-CA 3.31Å; T273-V276 PolarHBondContact O-N 3.29Å; V276-V278 HydrophobicContact CG1-CG2 4.35Å | ||
| 277 | T | 93.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.043 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.7 | 178.5 | -59.3 | 0 | 0 | 0 | 0 | 108 | L271 T273 P275 Y300 | L271-T277 HydrophobicContact CD1-CG2 4.24Å; L271-T277 HydrophobicContact CD2-CG2 4.41Å; L271-T277 PolarHBondContact N-O 3.06Å; L271-T277 PolarHBondContact O-N 3.04Å; T273-T277 VanDerWaalsContact OG1-CB 3.25Å; T273-T277 WeakPolarHBondContact OG1-CB 3.22Å; T273-T277 PolarHBondContact OG1-N 3.19Å; T273-T277 PolarHBondContact OG1-OG1 3.1Å; P275-T277 PolarHBondContact O-N 3.44Å; T277-Y300 HydrophobicContact CG2-CD1 3.54Å; T277-Y300 HydrophobicContact CG2-CE1 3.39Å; T277-Y300 HydrophobicContact CG2-CG 4.24Å |
| 278 | V | 96.7 | Very high | 94.6 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 48% | 0.479 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 133.3 | 172.3 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | L268 A269 E270 V276 | L268-V278 HydrophobicContact CB-CG1 4Å; L268-V278 HydrophobicContact CD1-CG1 4.49Å; L268-V278 HydrophobicContact CD2-CG1 4.09Å; L268-V278 HydrophobicContact CG-CG1 4.42Å; A269-V278 CarbonylContact O-C 3.46Å; A269-V278 WeakPolarHBondContact O-CA 3.42Å; E270-V278 HydrophobicContact CB-CG2 4.39Å; E270-V278 HydrophobicContact CG-CG2 4.26Å; V276-V278 HydrophobicContact CG1-CG2 4.35Å |
| 279 | C | 97.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 9% | 0.088 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.3 | 176.7 | -63.9 | 0 | 0 | 0 | 0 | 110 | L268 A269 A297 | L268-C279 CarbonylContact C-O 3.05Å; L268-C279 WeakPolarHBondContact CA-O 3.45Å; A269-C279 PolarHBondContact N-O 3.46Å; A269-C279 PolarHBondContact O-N 3.09Å; C279-A297 HydrophobicContact CB-CB 4.14Å |
| 280 | H | 97.6 | Very high | 94.5 | Very high | 82 Ų | 82 | 45.3 Ų | 45.3 | 38% | 0.38 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 150.5 | 177 | 177.7 | -111.2 | 0 | 0 | 0 | 110.5 | Q266 C267 L268 T282 S296 | Q266-H280 PolarHBondContact OE1-NE2 2.81Å; C267-H280 CarbonylContact O-C 3.53Å; C267-H280 WeakPolarHBondContact O-CA 3.37Å; L268-H280 HydrophobicContact CD2-CB 3.95Å; H280-T282 WeakPolarHBondContact CE1-CG2 3.48Å; H280-S296 WeakPolarHBondContact O-CB 3.22Å; H280-S296 PolarHBondContact O-OG 2.8Å |
| 281 | G | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 155 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q266 C267 D292 | Q266-G281 WeakPolarHBondContact CA-O 3.43Å; C267-G281 PolarHBondContact N-O 2.55Å; C267-G281 PolarHBondContact O-N 2.97Å; G281-D292 VanDerWaalsContact CA-OD2 3.23Å; G281-D292 WeakPolarHBondContact CA-OD2 3.37Å |
| 282 | T | 97.4 | Very high | 94.5 | Very high | 41 Ų | 41 | 46.6 Ų | 46.6 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 152.9 | -178.1 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | T260 Y265 Q266 H280 D292 | T260-T282 HydrophobicContact CG2-CG2 4.01Å; Y265-T282 CarbonylContact O-C 3.57Å; Y265-T282 VanDerWaalsContact O-CA 3.26Å; Y265-T282 WeakPolarHBondContact O-CA 3.43Å; Q266-T282 HydrophobicContact CG-CG2 4.46Å; H280-T282 WeakPolarHBondContact CE1-CG2 3.48Å; T282-D292 PolarHBondContact N-OD2 3.45Å; T282-D292 VanDerWaalsContact O-CB 3.28Å; T282-D292 WeakPolarHBondContact O-CB 3.37Å |
| 283 | G | 96.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 162.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q264 Y265 S285 | Q264-G283 CarbonylContact C-O 3.55Å; Q264-G283 WeakPolarHBondContact CA-O 3.46Å; Q264-G283 WeakPolarHBondContact CB-O 3.23Å; Y265-G283 PolarHBondContact N-O 2.94Å; Y265-G283 PolarHBondContact O-N 2.92Å; G283-S285 PolarHBondContact O-N 2.84Å |
| 284 | I | 95.5 | Very high | 95.1 | Very high | 140 Ų | 140 | 45.6 Ų | 45.6 | 72% | 0.718 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -70.9 | -7.3 | 171.6 | 61.9 | 172 | 0 | 0 | 0 | 113.1 | N288 | I284-N288 WeakPolarHBondContact CG1-OD1 3.31Š|
| 285 | S | 96 | Very high | 95.5 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -148.3 | 162.1 | 172.4 | 75 | 0 | 0 | 0 | 0 | 109.6 | Y265 G283 G287 N288 A289 | Y265-S285 VanDerWaalsContact CD2-CA 3.41Å; G283-S285 PolarHBondContact O-N 2.84Å; S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 3.13Å; S285-N288 WeakPolarHBondContact O-CB 3.32Å; S285-N288 PolarHBondContact O-N 2.8Å; S285-N288 VanDerWaalsContact O-N 3.12Å; S285-N288 PolarHBondContact OG-N 3.26Å; S285-N288 VanDerWaalsContact OG-N 3.12Å; S285-N288 PolarHBondContact OG-OD1 3.06Å; S285-A289 PolarHBondContact O-N 2.98Å |
| 286 | C | 94.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 41.2 Ų | 41.2 | 33% | 0.331 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -52.2 | -47.9 | 171.6 | 164.4 | 0 | 0 | 0 | 0 | 112 | D255 N288 A289 H290 | D255-C286 PolarHBondContact OD1-SG 2.82Å; C286-N288 VanDerWaalsContact C-N 3.3Å; C286-N288 PolarHBondContact O-N 3.27Å; C286-A289 WeakPolarHBondContact O-CB 3.46Å; C286-A289 PolarHBondContact O-N 2.96Å; C286-H290 PolarHBondContact O-CD2 3.21Å; C286-H290 VanDerWaalsContact O-CD2 3.24Å; C286-H290 PolarHBondContact O-N 3.16Å; C286-H290 PolarHBondContact SG-NE2 3.05Å |
| 287 | G | 95.1 | Very high | 96.2 | Very high | 44 Ų | 44 | 37 Ų | 37 | 45% | 0.454 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.3 | -33.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S285 N291 | S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 3.13Å; G287-N291 WeakPolarHBondContact O-CB 3.48Å; G287-N291 PolarHBondContact O-N 2.89Å; G287-N291 VanDerWaalsContact O-N 3.14Å |
| 288 | N | 94.7 | Very high | 96.2 | Very high | 76 Ų | 76 | 36.7 Ų | 36.7 | 41% | 0.406 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.7 | -40.8 | 171.2 | -70.5 | 110.5 | 0 | 0 | 0 | 111.8 | I284 S285 C286 N291 D292 | I284-N288 WeakPolarHBondContact CG1-OD1 3.31Å; S285-N288 WeakPolarHBondContact O-CB 3.32Å; S285-N288 PolarHBondContact O-N 2.8Å; S285-N288 VanDerWaalsContact O-N 3.12Å; S285-N288 PolarHBondContact OG-N 3.26Å; S285-N288 VanDerWaalsContact OG-N 3.12Å; S285-N288 PolarHBondContact OG-OD1 3.06Å; C286-N288 VanDerWaalsContact C-N 3.3Å; C286-N288 PolarHBondContact O-N 3.27Å; N288-N291 PolarHBondContact O-N 2.91Å; N288-D292 WeakPolarHBondContact O-CB 3.5Å; N288-D292 PolarHBondContact O-N 3.38Å |
| 289 | A | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.9 | -38.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C267 S285 C286 D292 A293 | C267-A289 HydrophobicContact CB-CB 3.9Å; S285-A289 PolarHBondContact O-N 2.98Å; C286-A289 WeakPolarHBondContact O-CB 3.46Å; C286-A289 PolarHBondContact O-N 2.96Å; A289-D292 PolarHBondContact O-N 2.83Å; A289-A293 WeakPolarHBondContact O-CB 3.35Å; A289-A293 PolarHBondContact O-N 2.84Å |
| 290 | H | 96.8 | Very high | 96 | Very high | 37 Ų | 37 | 39.6 Ų | 39.6 | 17% | 0.171 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 171.2 | -77.6 | -144.4 | 0 | 0 | 0 | 111.3 | I237 Y253 D255 C267 C286 D292 A293 A294 | I237-H290 HydrophobicContact CD1-CB 3.69Å; I237-H290 HydrophobicContact CG1-CB 4.5Å; Y253-H290 HydrophobicContact CD1-CB 4.33Å; Y253-H290 AromaticContact CG-ND1 3.94Å; D255-H290 IonicContact OD1-CD2 3.29Å; D255-H290 PolarHBondContact OD1-CD2 3.38Å; D255-H290 VanDerWaalsContact OD1-CD2 3.29Å; D255-H290 IonicContact OD1-NE2 2.85Å; D255-H290 PolarHBondContact OD1-NE2 2.95Å; D255-H290 IonicContact OD2-CE1 3.67Å; D255-H290 IonicContact OD2-NE2 2.96Å; D255-H290 PolarHBondContact OD2-NE2 3.17Å; C267-H290 PolarHBondContact SG-CD2 3.49Å; C286-H290 PolarHBondContact O-CD2 3.21Å; C286-H290 VanDerWaalsContact O-CD2 3.24Å; C286-H290 PolarHBondContact O-N 3.16Å; C286-H290 PolarHBondContact SG-NE2 3.05Å; H290-D292 VanDerWaalsContact C-N 3.33Å; H290-D292 PolarHBondContact O-N 3.29Å; H290-A293 PolarHBondContact O-N 3.29Å; H290-A294 WeakPolarHBondContact O-CB 3.34Å; H290-A294 PolarHBondContact O-N 2.88Å |
| 291 | N | 96 | Very high | 95.7 | Very high | 36 Ų | 36 | 35.7 Ų | 35.7 | 19% | 0.193 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -35 | 179.7 | -162.7 | 56.9 | 0 | 0 | 0 | 112.5 | T234 Y236 I237 G287 N288 H295 | T234-N291 PolarHBondContact O-ND2 3.44Å; T234-N291 VanDerWaalsContact O-ND2 3.11Å; Y236-N291 WeakPolarHBondContact CB-OD1 3.44Å; Y236-N291 WeakPolarHBondContact CD2-ND2 3.39Å; Y236-N291 PolarHBondContact N-OD1 2.88Å; I237-N291 HydrophobicContact CD1-CB 4.33Å; I237-N291 HydrophobicContact CG1-CB 4.28Å; G287-N291 WeakPolarHBondContact O-CB 3.48Å; G287-N291 PolarHBondContact O-N 2.89Å; G287-N291 VanDerWaalsContact O-N 3.14Å; N288-N291 PolarHBondContact O-N 2.91Å; N291-H295 VanDerWaalsContact O-CB 3.3Å; N291-H295 WeakPolarHBondContact O-CB 3.3Å; N291-H295 PolarHBondContact O-N 3.11Å |
| 292 | D | 95.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 37.7 Ų | 37.7 | 31% | 0.305 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.9 | -36.3 | 174.3 | -165.9 | 64.8 | 0 | 0 | 0 | 112.2 | G281 T282 N288 A289 H290 H295 S296 | G281-D292 VanDerWaalsContact CA-OD2 3.23Å; G281-D292 WeakPolarHBondContact CA-OD2 3.37Å; T282-D292 PolarHBondContact N-OD2 3.45Å; T282-D292 VanDerWaalsContact O-CB 3.28Å; T282-D292 WeakPolarHBondContact O-CB 3.37Å; N288-D292 WeakPolarHBondContact O-CB 3.5Å; N288-D292 PolarHBondContact O-N 3.38Å; A289-D292 PolarHBondContact O-N 2.83Å; H290-D292 VanDerWaalsContact C-N 3.33Å; H290-D292 PolarHBondContact O-N 3.29Å; D292-H295 WeakPolarHBondContact O-CB 3.26Å; D292-H295 PolarHBondContact O-N 2.91Å; D292-S296 WeakPolarHBondContact O-CB 3.3Å; D292-S296 PolarHBondContact O-N 3.47Å; D292-S296 PolarHBondContact O-OG 3.31Å |
| 293 | A | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.4 | -41.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y253 C267 A269 A289 H290 H295 S296 A297 | Y253-A293 HydrophobicContact CE1-CB 4.49Å; C267-A293 HydrophobicContact CB-CB 4.18Å; A269-A293 HydrophobicContact CB-CB 3.91Å; A289-A293 WeakPolarHBondContact O-CB 3.35Å; A289-A293 PolarHBondContact O-N 2.84Å; H290-A293 PolarHBondContact O-N 3.29Å; A293-H295 VanDerWaalsContact C-N 3.33Å; A293-S296 PolarHBondContact O-N 2.85Å; A293-A297 WeakPolarHBondContact O-CB 3.37Å; A293-A297 PolarHBondContact O-N 3.26Å |
| 294 | A | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I237 M240 Y253 H290 A297 L298 | I237-A294 HydrophobicContact CG1-CB 4.08Å; M240-A294 HydrophobicContact CB-CB 4.3Å; Y253-A294 HydrophobicContact CE1-CB 4.09Å; Y253-A294 VanDerWaalsContact OH-CB 3.31Å; Y253-A294 WeakPolarHBondContact OH-CB 3.28Å; H290-A294 WeakPolarHBondContact O-CB 3.34Å; H290-A294 PolarHBondContact O-N 2.88Å; A294-A297 WeakPolarHBondContact O-CB 3.31Å; A294-A297 PolarHBondContact O-N 3.4Å; A294-L298 VanDerWaalsContact O-CG 3.31Å; A294-L298 WeakPolarHBondContact O-CG 3.48Å; A294-L298 PolarHBondContact O-N 3.14Å |
| 295 | H | 95.9 | Very high | 93.9 | Very high | 31 Ų | 31 | 36.9 Ų | 36.9 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.4 | -49.3 | 174.8 | -176.8 | -122.4 | 0 | 0 | 0 | 112.2 | L229 Y236 N291 D292 A293 A297 L298 Q299 | L229-H295 PolarHBondContact O-NE2 3.07Å; Y236-H295 AromaticContact CD1-CD2 3.87Å; Y236-H295 HydrophobicContact CD2-CB 3.69Å; Y236-H295 AromaticContact CD2-CD2 3.71Å; Y236-H295 AromaticContact CD2-CG 3.99Å; Y236-H295 AromaticContact CE1-CD2 3.59Å; Y236-H295 HydrophobicContact CE2-CB 4.18Å; Y236-H295 AromaticContact CE2-CD2 3.42Å; Y236-H295 VanDerWaalsContact CE2-CD2 3.42Å; Y236-H295 WeakPolarHBondContact CE2-CD2 3.38Å; Y236-H295 AromaticContact CE2-CG 3.97Å; Y236-H295 AromaticContact CE2-NE2 3.99Å; Y236-H295 HydrophobicContact CG-CB 3.98Å; Y236-H295 AromaticContact CG-CD2 3.94Å; Y236-H295 AromaticContact CZ-CD2 3.36Å; Y236-H295 AromaticContact CZ-NE2 3.75Å; N291-H295 VanDerWaalsContact O-CB 3.3Å; N291-H295 WeakPolarHBondContact O-CB 3.3Å; N291-H295 PolarHBondContact O-N 3.11Å; D292-H295 WeakPolarHBondContact O-CB 3.26Å; D292-H295 PolarHBondContact O-N 2.91Å; A293-H295 VanDerWaalsContact C-N 3.33Å; H295-A297 VanDerWaalsContact C-N 3.3Å; H295-A297 PolarHBondContact O-N 3.11Å; H295-L298 PolarHBondContact O-N 2.81Å; H295-Q299 PolarHBondContact CE1-NE2 2.77Å; H295-Q299 PolarHBondContact ND1-NE2 2.98Å; H295-Q299 WeakPolarHBondContact O-CG 3.09Å; H295-Q299 PolarHBondContact O-N 2.96Å |
| 296 | S | 96.4 | Very high | 93 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 25% | 0.245 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -39.2 | 175.7 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | H280 D292 A293 Q299 Y300 | H280-S296 WeakPolarHBondContact O-CB 3.22Å; H280-S296 PolarHBondContact O-OG 2.8Å; D292-S296 WeakPolarHBondContact O-CB 3.3Å; D292-S296 PolarHBondContact O-N 3.47Å; D292-S296 PolarHBondContact O-OG 3.31Å; A293-S296 PolarHBondContact O-N 2.85Å; S296-Q299 PolarHBondContact O-N 3.25Å; S296-Y300 WeakPolarHBondContact O-CB 3.42Å; S296-Y300 PolarHBondContact O-N 2.88Å |
| 297 | A | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -47.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M240 L271 C279 A293 A294 H295 Q299 Y300 I301 | M240-A297 HydrophobicContact CE-CB 4.26Å; M240-A297 HydrophobicContact SD-CB 4.08Å; L271-A297 HydrophobicContact CD1-CB 3.89Å; L271-A297 HydrophobicContact CD2-CB 4.3Å; C279-A297 HydrophobicContact CB-CB 4.14Å; A293-A297 WeakPolarHBondContact O-CB 3.37Å; A293-A297 PolarHBondContact O-N 3.26Å; A294-A297 WeakPolarHBondContact O-CB 3.31Å; A294-A297 PolarHBondContact O-N 3.4Å; H295-A297 VanDerWaalsContact C-N 3.3Å; H295-A297 PolarHBondContact O-N 3.11Å; A297-Q299 VanDerWaalsContact C-N 3.33Å; A297-Q299 PolarHBondContact O-N 3.41Å; A297-Y300 PolarHBondContact O-N 3.46Å; A297-I301 WeakPolarHBondContact O-CG1 3.48Å; A297-I301 PolarHBondContact O-N 2.66Å |
| 298 | L | 94.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 175.9 | -72.9 | 169.8 | 0 | 0 | 0 | 112.1 | L224 L229 Y236 M239 M240 L243 A294 H295 K302 | L224-L298 HydrophobicContact CD1-CB 4.17Å; L224-L298 HydrophobicContact CD1-CD2 4.02Å; L224-L298 HydrophobicContact CD2-CD2 4.38Å; L229-L298 HydrophobicContact CD1-CB 3.88Å; L229-L298 HydrophobicContact CD2-CB 4.23Å; L229-L298 HydrophobicContact CD2-CD1 4.36Å; Y236-L298 HydrophobicContact CD1-CD1 3.94Å; Y236-L298 HydrophobicContact CG-CD1 4.38Å; M239-L298 HydrophobicContact CB-CD1 4.07Å; M239-L298 HydrophobicContact CG-CD1 4.01Å; M239-L298 HydrophobicContact CG-CD2 4.35Å; M239-L298 HydrophobicContact SD-CD1 3.87Å; M240-L298 HydrophobicContact CB-CD1 4.4Å; M240-L298 HydrophobicContact CB-CD2 4.35Å; M240-L298 HydrophobicContact CB-CG 4.29Å; M240-L298 HydrophobicContact SD-CD2 3.61Å; M240-L298 HydrophobicContact SD-CG 3.76Å; L243-L298 HydrophobicContact CD2-CD2 3.72Å; A294-L298 VanDerWaalsContact O-CG 3.31Å; A294-L298 WeakPolarHBondContact O-CG 3.48Å; A294-L298 PolarHBondContact O-N 3.14Å; H295-L298 PolarHBondContact O-N 2.81Å; L298-K302 VanDerWaalsContact O-CB 3.22Å; L298-K302 WeakPolarHBondContact O-CB 3.46Å; L298-K302 PolarHBondContact O-N 2.96Å |
| 299 | Q | 94.1 | Very high | 89.6 | Confident | 81 Ų | 81 | 49.7 Ų | 49.7 | 38% | 0.379 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -48.3 | 173.4 | -72.4 | -175.2 | 28.8 | 0 | 0 | 111.6 | L229 H295 S296 A297 I301 K302 I303 | L229-Q299 HydrophobicContact CD1-CB 4.36Å; L229-Q299 HydrophobicContact CD1-CG 3.77Å; H295-Q299 PolarHBondContact CE1-NE2 2.77Å; H295-Q299 PolarHBondContact ND1-NE2 2.98Å; H295-Q299 WeakPolarHBondContact O-CG 3.09Å; H295-Q299 PolarHBondContact O-N 2.96Å; S296-Q299 PolarHBondContact O-N 3.25Å; A297-Q299 VanDerWaalsContact C-N 3.33Å; A297-Q299 PolarHBondContact O-N 3.41Å; Q299-I301 PolarHBondContact O-N 2.8Å; Q299-K302 WeakPolarHBondContact O-CB 3.5Å; Q299-K302 PolarHBondContact O-N 2.85Å; Q299-I303 VanDerWaalsContact O-CG1 3.32Å; Q299-I303 WeakPolarHBondContact O-CG1 3.46Å; Q299-I303 PolarHBondContact O-N 3.03Å |
| 300 | Y | 93.8 | Very high | 89.2 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 28% | 0.282 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.8 | -50.2 | 178.7 | 176.2 | -94.1 | 0 | 0 | 0 | 111.6 | L210 T277 S296 A297 K302 I303 M304 | L210-Y300 HydrophobicContact CD1-CE1 4.08Å; L210-Y300 HydrophobicContact CD2-CE1 3.9Å; L210-Y300 WeakPolarHBondContact CD2-OH 3.35Å; T277-Y300 HydrophobicContact CG2-CD1 3.54Å; T277-Y300 HydrophobicContact CG2-CE1 3.39Å; T277-Y300 HydrophobicContact CG2-CG 4.24Å; S296-Y300 WeakPolarHBondContact O-CB 3.42Å; S296-Y300 PolarHBondContact O-N 2.88Å; A297-Y300 PolarHBondContact O-N 3.46Å; Y300-K302 VanDerWaalsContact C-N 3.31Å; Y300-K302 PolarHBondContact O-N 3.28Å; Y300-I303 PolarHBondContact O-N 2.93Å; Y300-M304 HydrophobicContact CD1-CG 4.28Å; Y300-M304 HydrophobicContact CD2-CE 4.25Å; Y300-M304 HydrophobicContact CE1-CG 3.92Å; Y300-M304 HydrophobicContact CE2-CE 3.45Å; Y300-M304 VanDerWaalsContact CE2-CE 3.45Å; Y300-M304 HydrophobicContact CE2-CG 4.21Å; Y300-M304 WeakPolarHBondContact O-CG 3.47Å; Y300-M304 PolarHBondContact O-N 3.46Å |
| 301 | I | 92.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 177.4 | -58.7 | 167.1 | 0 | 0 | 0 | 110.3 | L213 M221 L224 M240 L243 F249 L271 A297 Q299 I303 M304 A305 | L213-I301 HydrophobicContact CB-CG2 4.36Å; L213-I301 HydrophobicContact CD1-CG1 4.46Å; L213-I301 HydrophobicContact CD1-CG2 4.08Å; M221-I301 HydrophobicContact CE-CG2 3.43Å; M221-I301 VanDerWaalsContact CE-CG2 3.43Å; L224-I301 HydrophobicContact CD2-CB 4.36Å; L224-I301 HydrophobicContact CD2-CG2 4.31Å; M240-I301 HydrophobicContact CE-CD1 3.79Å; M240-I301 HydrophobicContact SD-CD1 4.23Å; L243-I301 HydrophobicContact CD2-CD1 3.97Å; F249-I301 HydrophobicContact CZ-CD1 3.93Å; L271-I301 HydrophobicContact CD2-CD1 3.72Å; L271-I301 HydrophobicContact CD2-CG1 4.12Å; A297-I301 WeakPolarHBondContact O-CG1 3.48Å; A297-I301 PolarHBondContact O-N 2.66Å; Q299-I301 PolarHBondContact O-N 2.8Å; I301-I303 VanDerWaalsContact C-N 3.32Å; I301-I303 PolarHBondContact O-N 3.41Å; I301-M304 PolarHBondContact O-N 2.83Å; I301-A305 VanDerWaalsContact O-CB 3.29Å; I301-A305 WeakPolarHBondContact O-CB 3.26Å; I301-A305 PolarHBondContact O-N 3.29Å |
| 302 | K | 91.7 | Very high | 88.3 | Confident | 42 Ų | 42 | 54.2 Ų | 54.2 | 18% | 0.183 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 178.3 | -177.2 | 172.8 | -179.3 | 146.5 | 0 | 112.3 | L224 R225 N227 L229 L298 Q299 Y300 S306 | L224-K302 HydrophobicContact CD1-CB 4.45Å; L224-K302 HydrophobicContact CD2-CB 4.13Å; L224-K302 HydrophobicContact CG-CB 4.05Å; L224-K302 HydrophobicContact CG-CG 4.44Å; L224-K302 VanDerWaalsContact O-CD 3.31Å; L224-K302 WeakPolarHBondContact O-CD 3.28Å; L224-K302 VanDerWaalsContact O-CE 3.28Å; L224-K302 WeakPolarHBondContact O-CE 3.37Å; L224-K302 PolarHBondContact O-NZ 3.29Å; R225-K302 WeakPolarHBondContact O-CE 3.44Å; R225-K302 PolarHBondContact O-NZ 3.18Å; N227-K302 PolarHBondContact O-NZ 3.27Å; L229-K302 HydrophobicContact CD1-CD 4.27Å; L298-K302 VanDerWaalsContact O-CB 3.22Å; L298-K302 WeakPolarHBondContact O-CB 3.46Å; L298-K302 PolarHBondContact O-N 2.96Å; Q299-K302 WeakPolarHBondContact O-CB 3.5Å; Q299-K302 PolarHBondContact O-N 2.85Å; Y300-K302 VanDerWaalsContact C-N 3.31Å; Y300-K302 PolarHBondContact O-N 3.28Å; K302-S306 WeakPolarHBondContact O-CB 3.5Å; K302-S306 PolarHBondContact O-N 2.85Å; K302-S306 PolarHBondContact O-OG 3.12Å |
| 303 | I | 90.5 | Very high | 87.9 | Confident | 94 Ų | 94 | 54 Ų | 54 | 48% | 0.482 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64 | -51 | 175.8 | -69.1 | 163.3 | 0 | 0 | 0 | 109.7 | Q299 Y300 I301 A305 S306 I307 | Q299-I303 VanDerWaalsContact O-CG1 3.32Å; Q299-I303 WeakPolarHBondContact O-CG1 3.46Å; Q299-I303 PolarHBondContact O-N 3.03Å; Y300-I303 PolarHBondContact O-N 2.93Å; I301-I303 VanDerWaalsContact C-N 3.32Å; I301-I303 PolarHBondContact O-N 3.41Å; I303-A305 VanDerWaalsContact C-N 3.26Å; I303-A305 PolarHBondContact O-N 3.31Å; I303-S306 PolarHBondContact O-N 3.24Å; I303-I307 HydrophobicContact CG2-CD1 3.85Å; I303-I307 WeakPolarHBondContact O-CG1 3.39Å; I303-I307 PolarHBondContact O-N 3.12Å; I303-I307 VanDerWaalsContact O-N 3.14Å |
| 304 | M | 86.8 | Confident | 87.2 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 31% | 0.31 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.8 | -30.5 | -179.8 | -67.8 | -61.6 | 172.1 | 0 | 0 | 113.3 | L210 Y300 I301 S306 I307 | L210-M304 HydrophobicContact CD1-CB 4.21Å; L210-M304 HydrophobicContact CD1-CG 4.43Å; L210-M304 HydrophobicContact CD2-CG 4.17Å; L210-M304 HydrophobicContact CG-CB 4.46Å; Y300-M304 HydrophobicContact CD1-CG 4.28Å; Y300-M304 HydrophobicContact CD2-CE 4.25Å; Y300-M304 HydrophobicContact CE1-CG 3.92Å; Y300-M304 HydrophobicContact CE2-CE 3.45Å; Y300-M304 VanDerWaalsContact CE2-CE 3.45Å; Y300-M304 HydrophobicContact CE2-CG 4.21Å; Y300-M304 WeakPolarHBondContact O-CG 3.47Å; Y300-M304 PolarHBondContact O-N 3.46Å; I301-M304 PolarHBondContact O-N 2.83Å; M304-S306 VanDerWaalsContact C-N 3.33Å; M304-I307 HydrophobicContact SD-CD1 4.33Å |
| 305 | A | 80.1 | Confident | 86.5 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -7.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M221 R225 I301 I303 | M221-A305 HydrophobicContact SD-CB 4.34Å; R225-A305 HydrophobicContact CG-CB 4.36Å; I301-A305 VanDerWaalsContact O-CB 3.29Å; I301-A305 WeakPolarHBondContact O-CB 3.26Å; I301-A305 PolarHBondContact O-N 3.29Å; I303-A305 VanDerWaalsContact C-N 3.26Å; I303-A305 PolarHBondContact O-N 3.31Å |
| 306 | S | 75.4 | Confident | 85.8 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 53% | 0.531 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -21.1 | 178 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | K302 I303 M304 K308 | K302-S306 WeakPolarHBondContact O-CB 3.5Å; K302-S306 PolarHBondContact O-N 2.85Å; K302-S306 PolarHBondContact O-OG 3.12Å; I303-S306 PolarHBondContact O-N 3.24Å; M304-S306 VanDerWaalsContact C-N 3.33Å; S306-K308 PolarHBondContact O-N 2.69Å |
| 307 | I | 68.5 | Low | 84.9 | Confident | 96 Ų | 96 | 66.5 Ų | 66.5 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | trans | -76.1 | 110.1 | 175.6 | -63.2 | 162.9 | 0 | 0 | 0 | 109 | R214 I303 M304 | R214-I307 VanDerWaalsContact CD-O 3.24Å; R214-I307 WeakPolarHBondContact CD-O 3.45Å; I303-I307 HydrophobicContact CG2-CD1 3.85Å; I303-I307 WeakPolarHBondContact O-CG1 3.39Å; I303-I307 PolarHBondContact O-N 3.12Å; I303-I307 VanDerWaalsContact O-N 3.14Å; M304-I307 HydrophobicContact SD-CD1 4.33Å | ||
| 308 | K | 54.7 | Low | 83.9 | Confident | 259 Ų | 259 | 72.5 Ų | 72.5 | 100% | 1.126 | 36% | 0.355 | S | S | * | . | trans | -86.9 | 0 | 170.8 | -83.1 | -173.8 | 172.5 | -178 | 0 | 111.2 | S306 | S306-K308 PolarHBondContact O-N 2.69Š|
Retrieved 308 of 308 residues in 1939.9 ms
(Link to these results)