| 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 | 33.9 | Very low | 36.8 | Very low | 218 Ų | 218 | 141.8 Ų | 141.8 | 100% | 1.074 | 73% | 0.725 | S | S | * | * | 0 | 105.1 | 0 | -84.7 | 146.6 | 162.1 | 0 | 0 | 105.9 | D3 | M1-D3 PolarHBondContact O-N 3.49Š| |||
| 2 | C | 32.9 | Very low | 36.4 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -81.3 | 114.4 | -178.4 | -68.9 | 0 | 0 | 0 | 0 | 108.8 | R4 | C2-R4 VanDerWaalsContact C-N 3.31Å; C2-R4 PolarHBondContact O-N 2.77Å | ||
| 3 | D | 37.2 | Very low | 36.7 | Very low | 85 Ų | 85 | 145.2 Ų | 145.2 | 46% | 0.455 | 74% | 0.736 | S | S | . | * | trans | -66.4 | 90.1 | 173.6 | -73.4 | -60.2 | 0 | 0 | 0 | 109.6 | M1 V5 H111 | M1-D3 PolarHBondContact O-N 3.49Å; D3-V5 PolarHBondContact O-N 3.12Å; D3-H111 PolarHBondContact O-CE1 2.85Å | ||
| 4 | R | 40 | Very low | 36.5 | Very low | 198 Ų | 198 | 143.9 Ų | 143.9 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | trans | -69.9 | 100.4 | 172.2 | -68.1 | -175.8 | -168.3 | -175.1 | 3 | 107.9 | C2 F6 | C2-R4 VanDerWaalsContact C-N 3.31Å; C2-R4 PolarHBondContact O-N 2.77Å; R4-F6 VanDerWaalsContact C-N 3.26Å; R4-F6 PolarHBondContact O-N 3.22Å | ||
| 5 | V | 40.1 | Very low | 36.5 | Very low | 46 Ų | 46 | 146.6 Ų | 146.6 | 28% | 0.279 | 74% | 0.744 | S | S | . | * | trans | -71 | 91.3 | 165.1 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | D3 N53 F116 | D3-V5 PolarHBondContact O-N 3.12Å; V5-N53 HydrophobicContact CG2-CB 4.39Å; V5-F116 HydrophobicContact CB-CE1 4.36Å; V5-F116 HydrophobicContact CB-CZ 4.02Å; V5-F116 HydrophobicContact CG1-CE1 4.42Å; V5-F116 HydrophobicContact CG1-CZ 4.08Å; V5-F116 HydrophobicContact CG2-CD1 4.02Å; V5-F116 HydrophobicContact CG2-CE1 3.33Å; V5-F116 HydrophobicContact CG2-CE2 4.16Å; V5-F116 HydrophobicContact CG2-CZ 3.41Å; V5-F116 VanDerWaalsContact CG2-CZ 3.41Å | ||
| 6 | F | 37.8 | Very low | 36.2 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 72% | 0.719 | 75% | 0.748 | S | S | * | * | trans | -85.3 | 110.1 | 178.6 | -150.5 | -93.3 | 0 | 0 | 0 | 108.3 | R4 Q8 | R4-F6 VanDerWaalsContact C-N 3.26Å; R4-F6 PolarHBondContact O-N 3.22Å; F6-Q8 HydrophobicContact CD1-CG 4.08Å; F6-Q8 HydrophobicContact CE1-CG 4.04Å | ||
| 7 | C | 34.6 | Very low | 36.5 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | -99.5 | 102.2 | 168.1 | -135.8 | 0 | 0 | 0 | 0 | 107.8 | L9 | C7-L9 PolarHBondContact O-N 3.07Š| ||
| 8 | Q | 43.5 | Very low | 37.3 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -62.1 | 120.8 | 170.6 | -90.9 | 165.1 | -48.5 | 0 | 0 | 109.7 | F6 | F6-Q8 HydrophobicContact CD1-CG 4.08Å; F6-Q8 HydrophobicContact CE1-CG 4.04Å | ||
| 9 | L | 33.2 | Very low | 37.3 | Very low | 168 Ų | 168 | 143 Ų | 143 | 88% | 0.88 | 76% | 0.755 | S | S | * | * | trans | -144.9 | 104.6 | 141.2 | -127.7 | 89.5 | 0 | 0 | 0 | 108.7 | C7 | C7-L9 PolarHBondContact O-N 3.07Š| ||
| 10 | H | 31.6 | Very low | 37.5 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | trans | 25.7 | 117.4 | 161.7 | -78.9 | 89.9 | 0 | 0 | 0 | 121.4 | ||||
| 11 | T | 40.2 | Very low | 37.5 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 56.6 | 81.5 | 141.4 | 54.3 | 0 | 0 | 0 | 0 | 118.7 | ||
| 12 | H | 31.9 | Very low | 37.8 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | -173.9 | 114.1 | 112.7 | -109.3 | -92.6 | 0 | 0 | 0 | 107.8 | T14 | H12-T14 PolarHBondContact O-N 3.06Š| |||
| 13 | I | 40.1 | Very low | 37.6 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -76.9 | 103.2 | 172.5 | -61.1 | 171.4 | 0 | 0 | 0 | 106.5 | F15 | I13-F15 HydrophobicContact CG2-CD2 3.52Å; I13-F15 HydrophobicContact CG2-CE2 3.79Å | ||
| 14 | T | 33.8 | Very low | 37.5 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -100.2 | 101.5 | 160 | -7.7 | 0 | 0 | 0 | 0 | 107.5 | H12 C16 | H12-T14 PolarHBondContact O-N 3.06Å; T14-C16 PolarHBondContact O-N 3.08Å | ||
| 15 | F | 36.5 | Very low | 37.2 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 122 | 164.9 | -96.9 | -99.2 | 0 | 0 | 0 | 108.8 | I13 | I13-F15 HydrophobicContact CG2-CD2 3.52Å; I13-F15 HydrophobicContact CG2-CE2 3.79Å |
| 16 | C | 32.6 | Very low | 37 | Very low | 119 Ų | 119 | 137 Ų | 137 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 120.4 | 159.7 | -83 | 0 | 0 | 0 | 0 | 108.7 | T14 | T14-C16 PolarHBondContact O-N 3.08Š|
| 17 | P | 39.7 | Very low | 37 | Very low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 162.4 | 173.4 | 29.5 | -32.5 | 0 | 0 | 0 | 111.8 | ||
| 18 | P | 51.5 | Low | 37.1 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 119.4 | -166.6 | 34.2 | -24.7 | 0 | 0 | 0 | 111.4 | ||
| 19 | L | 38.1 | Very low | 36.9 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | trans | -150.8 | 122 | 158.5 | -74.7 | -179.3 | 0 | 0 | 0 | 111.1 | ||||
| 20 | S | 40.3 | Very low | 37 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | 53.4 | 120.2 | 152.5 | 63.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 21 | G | 38.8 | Very low | 37.2 | Very low | 68 Ų | 68 | 140.8 Ų | 140.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 99.1 | 108.9 | 143.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 22 | S | 38.8 | Very low | 37.3 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 44.8 | 92.4 | 158.2 | 52.7 | 0 | 0 | 0 | 0 | 116.4 | S24 | S22-S24 PolarHBondContact O-N 2.76Š| ||
| 23 | C | 28.7 | Very low | 37.9 | Very low | 137 Ų | 137 | 142 Ų | 142 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | trans | -68.1 | 82.3 | 163.8 | -75.7 | 0 | 0 | 0 | 0 | 110.1 | C25 | C23-C25 PolarHBondContact O-N 3.16Š| ||
| 24 | S | 36.3 | Very low | 38 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -71.6 | 100.2 | 156.6 | -112.4 | 0 | 0 | 0 | 0 | 107 | S22 E26 | S22-S24 PolarHBondContact O-N 2.76Å; S24-E26 PolarHBondContact O-N 3.48Å | ||
| 25 | C | 32.3 | Very low | 38.3 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -68.3 | 83.7 | 166.3 | 52.1 | 0 | 0 | 0 | 0 | 108.6 | C23 I27 | C23-C25 PolarHBondContact O-N 3.16Å; C25-I27 PolarHBondContact O-N 2.86Å | ||
| 26 | E | 36.3 | Very low | 38.8 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | -68.1 | 96.8 | 169 | -77.6 | -173 | 145.6 | 0 | 0 | 109.1 | S24 K28 | S24-E26 PolarHBondContact O-N 3.48Å; E26-K28 PolarHBondContact O-N 3.24Å | ||
| 27 | I | 38.9 | Very low | 39.5 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -60.2 | 94.9 | 159.8 | -60.8 | 171.7 | 0 | 0 | 0 | 106.1 | C25 R29 | C25-I27 PolarHBondContact O-N 2.86Å; I27-R29 PolarHBondContact O-N 3.4Å | ||
| 28 | K | 35.9 | Very low | 39.9 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -58.7 | 106.1 | 172.7 | -73.3 | -171.4 | 178.1 | -178.1 | 0 | 108.2 | E26 P30 | E26-K28 PolarHBondContact O-N 3.24Å; K28-P30 WeakPolarHBondContact O-CD 3.32Å | ||
| 29 | R | 39.1 | Very low | 39.2 | Very low | 220 Ų | 220 | 149.2 Ų | 149.2 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | trans | -57.4 | 137.6 | 163.9 | -61.7 | -171.4 | -169 | -155.3 | 6 | 107.5 | I27 | I27-R29 PolarHBondContact O-N 3.4Š| ||
| 30 | P | 35.6 | Very low | 40.1 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | -117.1 | 109.5 | 111.5 | 30.7 | -27.3 | 0 | 0 | 0 | 108.1 | K28 S32 | K28-P30 WeakPolarHBondContact O-CD 3.32Å; P30-S32 PolarHBondContact O-N 2.94Å | |||
| 31 | Y | 36.8 | Very low | 40.6 | Very low | 193 Ų | 193 | 148.8 Ų | 148.8 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | trans | -67.3 | 79 | 154 | -175.6 | -100.5 | 0 | 0 | 0 | 106 | R33 | Y31-R33 PolarHBondContact O-N 2.87Š| ||
| 32 | S | 40.5 | Very low | 40.9 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | trans | -77.2 | 119.9 | 168.2 | -167.7 | 0 | 0 | 0 | 0 | 107.4 | P30 D34 | P30-S32 PolarHBondContact O-N 2.94Å; S32-D34 PolarHBondContact O-N 2.82Å | ||
| 33 | R | 45 | Very low | 41.2 | Very low | 227 Ų | 227 | 146.6 Ų | 146.6 | 86% | 0.857 | 70% | 0.704 | S | S | * | * | trans | -72 | 68.8 | -177.8 | -146.6 | -175.1 | -152.8 | -155.5 | 4.6 | 108.8 | Y31 | Y31-R33 PolarHBondContact O-N 2.87Š| ||
| 34 | D | 42.3 | Very low | 42.3 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 55% | 0.551 | 69% | 0.692 | S | S | * | * | trans | -115.6 | 100.2 | 179.7 | -134.8 | 10.3 | 0 | 0 | 0 | 109.6 | S32 R36 | S32-D34 PolarHBondContact O-N 2.82Å; D34-R36 PolarHBondContact O-N 2.81Å; D34-R36 IonicContact OD2-CZ 3.59Å; D34-R36 IonicContact OD2-NE 3.46Å; D34-R36 PolarHBondContact OD2-NE 2.81Å; D34-R36 IonicContact OD2-NH2 2.86Å; D34-R36 PolarHBondContact OD2-NH2 2.82Å | ||
| 35 | N | 41.4 | Very low | 42.7 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 88% | 0.877 | 69% | 0.693 | S | S | * | * | trans | -74.6 | 43.1 | -176.6 | -154 | 25.3 | 0 | 0 | 0 | 111.7 | R37 | N35-R37 VanDerWaalsContact C-N 3.29Å; N35-R37 PolarHBondContact O-N 3.24Å | ||
| 36 | R | 46 | Very low | 43.6 | Very low | 201 Ų | 201 | 147.4 Ų | 147.4 | 76% | 0.758 | 69% | 0.689 | S | S | * | * | trans | -79.4 | 88.9 | 168.8 | -85.1 | -174.5 | -80.5 | -173.7 | -5.8 | 107.7 | D34 W38 | D34-R36 PolarHBondContact O-N 2.81Å; D34-R36 IonicContact OD2-CZ 3.59Å; D34-R36 IonicContact OD2-NE 3.46Å; D34-R36 PolarHBondContact OD2-NE 2.81Å; D34-R36 IonicContact OD2-NH2 2.86Å; D34-R36 PolarHBondContact OD2-NH2 2.82Å; R36-W38 PolarHBondContact O-N 3.42Å | ||
| 37 | R | 48.2 | Very low | 45 | Very low | 210 Ų | 210 | 142 Ų | 142 | 79% | 0.792 | 66% | 0.662 | S | S | * | * | trans | -56.9 | 79.5 | 163.4 | -179 | 155.1 | -177.9 | 172.2 | -1.2 | 109.3 | N35 K39 | N35-R37 VanDerWaalsContact C-N 3.29Å; N35-R37 PolarHBondContact O-N 3.24Å; R37-K39 VanDerWaalsContact C-N 3.33Å; R37-K39 HydrophobicContact CG-CG 4.23Å; R37-K39 PolarHBondContact O-N 2.91Å | ||
| 38 | W | 46.3 | Very low | 46.8 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 55% | 0.549 | 66% | 0.661 | S | S | . | * | trans | -69.5 | 99.5 | 162.4 | 175.3 | -83 | 0 | 0 | 0 | 106.1 | R36 I40 | R36-W38 PolarHBondContact O-N 3.42Å; W38-I40 PolarHBondContact O-N 2.77Å | ||
| 39 | K | 38.6 | Very low | 49.1 | Very low | 139 Ų | 139 | 136 Ų | 136 | 60% | 0.604 | 64% | 0.637 | S | S | * | * | trans | -64.5 | 104.8 | 164 | -69.4 | -179.7 | 178.2 | 176.8 | 0 | 105.8 | R37 R41 | R37-K39 VanDerWaalsContact C-N 3.33Å; R37-K39 HydrophobicContact CG-CG 4.23Å; R37-K39 PolarHBondContact O-N 2.91Å; K39-R41 HydrophobicContact CB-CG 3.98Å; K39-R41 PolarHBondContact O-N 2.89Å | ||
| 40 | I | 56.7 | Low | 51.5 | Low | 51 Ų | 51 | 128.4 Ų | 128.4 | 26% | 0.262 | 62% | 0.615 | S | S | . | * | trans | -65 | 79.2 | 162.3 | -53.7 | 176 | 0 | 0 | 0 | 105.7 | W38 A42 | W38-I40 PolarHBondContact O-N 2.77Å; I40-A42 HydrophobicContact CG2-CB 3.83Å; I40-A42 PolarHBondContact O-N 2.9Å; I40-A42 VanDerWaalsContact O-N 3.08Å | ||
| 41 | R | 50.9 | Low | 54 | Low | 228 Ų | 228 | 126.4 Ų | 126.4 | 86% | 0.86 | 60% | 0.597 | S | S | * | * | trans | -82.5 | 67.9 | 165.8 | -63 | -175.4 | 92.8 | -172.3 | 5.4 | 106.7 | K39 | K39-R41 HydrophobicContact CB-CG 3.98Å; K39-R41 PolarHBondContact O-N 2.89Å | ||
| 42 | A | 45.3 | Very low | 56.5 | Low | 39 Ų | 39 | 122.8 Ų | 122.8 | 32% | 0.322 | 59% | 0.585 | S | S | . | * | trans | -97.5 | 99.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | I40 R47 | I40-A42 HydrophobicContact CG2-CB 3.83Å; I40-A42 PolarHBondContact O-N 2.9Å; I40-A42 VanDerWaalsContact O-N 3.08Å; A42-R47 PolarHBondContact O-NH2 3.46Å | ||
| 43 | T | 44.6 | Very low | 58.6 | Low | 100 Ų | 100 | 121.8 Ų | 121.8 | 61% | 0.613 | 57% | 0.573 | S | S | * | * | trans | -47 | 137.8 | 161.3 | 37.3 | 0 | 0 | 0 | 0 | 108.8 | S45 D46 | T43-S45 PolarHBondContact O-N 3.49Å; T43-D46 PolarHBondContact O-N 3.19Å | ||
| 44 | M | 51.2 | Low | 60.7 | Low | 136 Ų | 136 | 112.8 Ų | 112.8 | 67% | 0.67 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -50 | -18.9 | -175.1 | -92.6 | 171.3 | 161.1 | 0 | 0 | 114.3 | E73 | M44-E73 VanDerWaalsContact CE-CD 3.42Å; M44-E73 WeakPolarHBondContact CE-OE1 3.39Å; M44-E73 WeakPolarHBondContact CE-OE2 3.06Å; M44-E73 WeakPolarHBondContact CG-OE1 3.49Å |
| 45 | S | 44.2 | Very low | 62.8 | Low | 109 Ų | 109 | 109.7 Ų | 109.7 | 76% | 0.762 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -87.5 | -5.1 | -168.4 | -43.9 | 0 | 0 | 0 | 0 | 116.9 | T43 | T43-S45 PolarHBondContact O-N 3.49Š|
| 46 | D | 52.3 | Low | 65 | Low | 129 Ų | 129 | 102.8 Ų | 102.8 | 69% | 0.69 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -121.5 | 16.4 | -177.4 | -77.3 | -56.5 | 0 | 0 | 0 | 114.8 | T43 K48 | T43-D46 PolarHBondContact O-N 3.19Å; D46-K48 VanDerWaalsContact C-N 3.25Å; D46-K48 PolarHBondContact O-N 2.96Å |
| 47 | R | 64.7 | Low | 67.1 | Low | 48 Ų | 48 | 96.3 Ų | 96.3 | 18% | 0.181 | 48% | 0.478 | C | S | . | . | trans | -88.9 | 59.2 | -179.6 | -71.7 | -168.1 | -143.9 | 171.1 | 8.1 | 111.6 | A42 A49 E73 L121 | A42-R47 PolarHBondContact O-NH2 3.46Å; R47-A49 PolarHBondContact O-N 3.43Å; R47-A49 VanDerWaalsContact O-N 3.12Å; R47-E73 VanDerWaalsContact NH1-CG 3.34Å; R47-L121 HydrophobicContact CB-CD2 3.52Å; R47-L121 HydrophobicContact CG-CD2 3.75Å | ||
| 48 | K | 76.5 | Confident | 68.9 | Low | 166 Ų | 166 | 94 Ų | 94 | 72% | 0.722 | 48% | 0.476 | S | S | * | . | trans | -63.4 | 115.2 | 175 | -171.1 | 173.9 | -177.7 | 176.3 | 0 | 109.3 | D46 V50 | D46-K48 VanDerWaalsContact C-N 3.25Å; D46-K48 PolarHBondContact O-N 2.96Å; K48-V50 HydrophobicContact CG-CG2 4.41Å | ||
| 49 | A | 85.4 | Confident | 71 | Confident | 35 Ų | 35 | 95.1 Ų | 95.1 | 29% | 0.289 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 127.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | R47 V65 Y120 | R47-A49 PolarHBondContact O-N 3.43Å; R47-A49 VanDerWaalsContact O-N 3.12Å; A49-V65 HydrophobicContact CB-CG1 3.56Å; A49-V65 HydrophobicContact CB-CG2 4.06Å; A49-Y120 CarbonylContact C-O 3.55Å; A49-Y120 WeakPolarHBondContact CA-O 3.48Å |
| 50 | V | 88.6 | Confident | 73.4 | Confident | 60 Ų | 60 | 89.5 Ų | 89.5 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 99.8 | 176.8 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | K48 K52 F119 Y120 | K48-V50 HydrophobicContact CG-CG2 4.41Å; V50-K52 PolarHBondContact O-N 3.29Å; V50-F119 CarbonylContact O-C 3.5Å; V50-F119 VanDerWaalsContact O-CA 3.31Å; V50-F119 WeakPolarHBondContact O-CA 3.46Å; V50-Y120 PolarHBondContact N-O 3.18Å; V50-Y120 PolarHBondContact O-N 3.03Å |
| 51 | I | 89.6 | Confident | 75 | Confident | 75 Ų | 75 | 88.9 Ų | 88.9 | 39% | 0.385 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 127 | 176.7 | -57.7 | 170.3 | 0 | 0 | 0 | 108 | A54 Q61 F119 | I51-A54 HydrophobicContact CG2-CB 3.74Å; I51-Q61 HydrophobicContact CD1-CB 4.5Å; I51-F119 HydrophobicContact CB-CB 4.42Å; I51-F119 HydrophobicContact CG1-CB 4.11Å |
| 52 | K | 88.7 | Confident | 76.9 | Confident | 118 Ų | 118 | 83 Ų | 83 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -51.9 | 176.3 | -68.1 | -64.2 | -174.9 | 179.9 | 0 | 110.2 | V50 Y118 Y120 | V50-K52 PolarHBondContact O-N 3.29Å; K52-Y118 HydrophobicContact CB-CD1 3.43Å; K52-Y118 VanDerWaalsContact CB-CD1 3.43Å; K52-Y118 HydrophobicContact CB-CE1 3.78Å; K52-Y118 HydrophobicContact CB-CG 4.38Å; K52-Y118 HydrophobicContact CG-CD1 4.01Å; K52-Y118 HydrophobicContact CG-CE1 3.87Å; K52-Y118 PolarHBondContact N-O 3.29Å; K52-Y120 HydrophobicContact CD-CD2 4.35Å; K52-Y120 HydrophobicContact CD-CE2 4.39Å; K52-Y120 HydrophobicContact CG-CD2 3.65Å; K52-Y120 HydrophobicContact CG-CE2 3.74Å |
| 53 | N | 84.8 | Confident | 79.1 | Confident | 75 Ų | 75 | 82.5 Ų | 82.5 | 40% | 0.401 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 135.4 | 174.9 | -77.4 | 62.4 | 0 | 0 | 0 | 108.3 | V5 F116 Y118 | V5-N53 HydrophobicContact CG2-CB 4.39Å; N53-F116 HydrophobicContact CB-CE1 3.87Å; N53-Y118 PolarHBondContact N-O 3.35Å; N53-Y118 VanDerWaalsContact N-O 3.16Å; N53-Y118 PolarHBondContact O-N 3.18Å; N53-Y118 VanDerWaalsContact O-O 3.13Å |
| 54 | A | 89.3 | Confident | 81.3 | Confident | 38 Ų | 38 | 77.8 Ų | 77.8 | 31% | 0.314 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 125.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108 | I51 Q61 I117 | I51-A54 HydrophobicContact CG2-CB 3.74Å; A54-Q61 HydrophobicContact CB-CG 3.92Å; A54-I117 HydrophobicContact CB-CD1 4.5Å; A54-I117 HydrophobicContact CB-CG1 4Å |
| 55 | D | 86.6 | Confident | 83.2 | Confident | 38 Ų | 38 | 72.1 Ų | 72.1 | 20% | 0.203 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 76.7 | 169.2 | 176.9 | 28.7 | 0 | 0 | 0 | 106.4 | K114 H115 F116 | D55-K114 CarbonylContact O-C 3.54Å; D55-K114 WeakPolarHBondContact O-CA 3.36Å; D55-K114 PolarHBondContact OD2-N 2.83Å; D55-H115 PolarHBondContact O-N 2.86Å; D55-H115 VanDerWaalsContact O-N 3.11Å; D55-F116 CarbonylContact C-O 2.8Å; D55-F116 HydrophobicContact CB-CB 4.35Å; D55-F116 PolarHBondContact N-O 3.16Å; D55-F116 PolarHBondContact O-N 3.46Å; D55-F116 VanDerWaalsContact O-N 3.13Å |
| 56 | M | 87.3 | Confident | 85.4 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 9% | 0.089 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -168.9 | 168.5 | 175.1 | 59.2 | 175.9 | 59.4 | 0 | 0 | 109.5 | M60 Q61 W97 K114 I117 | M56-M60 HydrophobicContact CB-CB 4.41Å; M56-M60 HydrophobicContact CB-SD 4.07Å; M56-M60 HydrophobicContact CE-CG 4.49Å; M56-M60 HydrophobicContact CE-SD 4.18Å; M56-M60 HydrophobicContact CG-CB 4.39Å; M56-M60 HydrophobicContact SD-CB 3.97Å; M56-M60 HydrophobicContact SD-CG 3.7Å; M56-M60 HydrophobicContact SD-SD 4.03Å; M56-Q61 HydrophobicContact CG-CG 3.48Å; M56-Q61 VanDerWaalsContact CG-CG 3.48Å; M56-Q61 PolarHBondContact O-NE2 3.27Å; M56-Q61 HydrophobicContact SD-CG 3.98Å; M56-W97 HydrophobicContact CE-CH2 4.47Å; M56-W97 HydrophobicContact CE-CZ3 4.43Å; M56-K114 WeakPolarHBondContact CB-O 3.43Å; M56-I117 HydrophobicContact CE-CB 3.6Å; M56-I117 HydrophobicContact CE-CG2 3.57Å; M56-I117 HydrophobicContact SD-CB 3.88Å; M56-I117 HydrophobicContact SD-CD1 4.14Å; M56-I117 HydrophobicContact SD-CG2 4.06Å |
| 57 | S | 89.4 | Confident | 87.2 | Confident | 65 Ų | 65 | 65.7 Ų | 65.7 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | trans | -66.4 | 149.7 | 178.3 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | E59 M60 Q61 | S57-E59 PolarHBondContact O-N 3.03Å; S57-M60 WeakPolarHBondContact O-CA 3.26Å; S57-M60 WeakPolarHBondContact O-CB 3.31Å; S57-M60 PolarHBondContact O-N 2.91Å; S57-Q61 WeakPolarHBondContact O-CG 3.41Å; S57-Q61 PolarHBondContact O-N 3.38Å | ||
| 58 | E | 87 | Confident | 88.5 | Confident | 162 Ų | 162 | 63.4 Ų | 63.4 | 76% | 0.757 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -55.8 | -37.8 | -179.8 | -66.9 | -177.1 | 176.5 | 0 | 0 | 112.9 | M60 Q61 Q62 | E58-M60 VanDerWaalsContact C-N 3.31Å; E58-M60 PolarHBondContact O-N 3.01Å; E58-Q61 PolarHBondContact O-N 3.01Å; E58-Q62 WeakPolarHBondContact O-CB 3.48Å; E58-Q62 PolarHBondContact O-N 2.72Å |
| 59 | E | 89.2 | Confident | 89.1 | Confident | 168 Ų | 168 | 57.4 Ų | 57.4 | 79% | 0.785 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.4 | -41 | 174.3 | -65 | -177.9 | 174.9 | 0 | 0 | 112.2 | S57 D63 | S57-E59 PolarHBondContact O-N 3.03Å; E59-D63 WeakPolarHBondContact O-CB 3.41Å; E59-D63 PolarHBondContact O-N 2.75Å; E59-D63 VanDerWaalsContact O-N 3.09Å |
| 60 | M | 89.6 | Confident | 89.3 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.6 | -34.4 | 178.3 | -167 | 179.5 | -57.6 | 0 | 0 | 111.7 | M56 S57 E58 Q62 D63 A64 F89 Y93 W97 | M56-M60 HydrophobicContact CB-CB 4.41Å; M56-M60 HydrophobicContact CB-SD 4.07Å; M56-M60 HydrophobicContact CE-CG 4.49Å; M56-M60 HydrophobicContact CE-SD 4.18Å; M56-M60 HydrophobicContact CG-CB 4.39Å; M56-M60 HydrophobicContact SD-CB 3.97Å; M56-M60 HydrophobicContact SD-CG 3.7Å; M56-M60 HydrophobicContact SD-SD 4.03Å; S57-M60 WeakPolarHBondContact O-CA 3.26Å; S57-M60 WeakPolarHBondContact O-CB 3.31Å; S57-M60 PolarHBondContact O-N 2.91Å; E58-M60 VanDerWaalsContact C-N 3.31Å; E58-M60 PolarHBondContact O-N 3.01Å; M60-Q62 VanDerWaalsContact C-N 3.34Å; M60-D63 PolarHBondContact O-N 2.95Å; M60-A64 WeakPolarHBondContact O-CB 3.44Å; M60-A64 PolarHBondContact O-N 2.86Å; M60-F89 HydrophobicContact CG-CE1 4.14Å; M60-Y93 HydrophobicContact CE-CD1 3.63Å; M60-Y93 HydrophobicContact CE-CE1 3.41Å; M60-Y93 VanDerWaalsContact CE-CE1 3.41Å; M60-Y93 HydrophobicContact CE-CG 4.36Å; M60-Y93 HydrophobicContact CG-CE1 4.3Å; M60-Y93 HydrophobicContact CG-CE2 4.11Å; M60-Y93 HydrophobicContact SD-CD1 4.39Å; M60-Y93 HydrophobicContact SD-CE1 4.28Å; M60-W97 HydrophobicContact SD-CH2 4.2Å |
| 61 | Q | 90.5 | Very high | 89.4 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 174 | -62.2 | 179.2 | 33.8 | 0 | 0 | 110.8 | I51 A54 M56 S57 E58 A64 V65 I117 | I51-Q61 HydrophobicContact CD1-CB 4.5Å; A54-Q61 HydrophobicContact CB-CG 3.92Å; M56-Q61 HydrophobicContact CG-CG 3.48Å; M56-Q61 VanDerWaalsContact CG-CG 3.48Å; M56-Q61 PolarHBondContact O-NE2 3.27Å; M56-Q61 HydrophobicContact SD-CG 3.98Å; S57-Q61 WeakPolarHBondContact O-CG 3.41Å; S57-Q61 PolarHBondContact O-N 3.38Å; E58-Q61 PolarHBondContact O-N 3.01Å; Q61-A64 WeakPolarHBondContact O-CB 3.43Å; Q61-A64 PolarHBondContact O-N 3.35Å; Q61-V65 WeakPolarHBondContact O-CG2 3.45Å; Q61-V65 PolarHBondContact O-N 2.79Å; Q61-I117 HydrophobicContact CB-CD1 4.01Å; Q61-I117 HydrophobicContact CG-CD1 4.1Å |
| 62 | Q | 90.1 | Very high | 89.2 | Confident | 104 Ų | 104 | 53.9 Ų | 53.9 | 49% | 0.486 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 177.9 | -174.3 | 58.3 | 34.2 | 0 | 0 | 111.1 | E58 M60 A64 V65 E66 | E58-Q62 WeakPolarHBondContact O-CB 3.48Å; E58-Q62 PolarHBondContact O-N 2.72Å; M60-Q62 VanDerWaalsContact C-N 3.34Å; Q62-A64 VanDerWaalsContact C-N 3.3Å; Q62-A64 PolarHBondContact O-N 3.02Å; Q62-V65 PolarHBondContact O-N 2.87Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.47Å; Q62-E66 PolarHBondContact NE2-OE1 3.4Å; Q62-E66 WeakPolarHBondContact O-CG 3.43Å; Q62-E66 PolarHBondContact O-N 2.95Å |
| 63 | D | 91.2 | Very high | 89.1 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 175.9 | -166.9 | 58.7 | 0 | 0 | 0 | 112.5 | E59 M60 E66 C67 K92 Y93 | E59-D63 WeakPolarHBondContact O-CB 3.41Å; E59-D63 PolarHBondContact O-N 2.75Å; E59-D63 VanDerWaalsContact O-N 3.09Å; M60-D63 PolarHBondContact O-N 2.95Å; D63-E66 PolarHBondContact O-N 3.36Å; D63-C67 VanDerWaalsContact O-CB 3.27Å; D63-C67 WeakPolarHBondContact O-CB 3.5Å; D63-C67 PolarHBondContact O-N 3.09Å; D63-C67 PolarHBondContact O-SG 3.05Å; D63-K92 IonicContact OD1-NZ 2.6Å; D63-K92 PolarHBondContact OD1-NZ 3.23Å; D63-K92 WeakPolarHBondContact OD2-CD 3.44Å; D63-K92 IonicContact OD2-NZ 3.78Å; D63-K92 PolarHBondContact OD2-NZ 2.94Å; D63-Y93 PolarHBondContact OD2-OH 2.96Å |
| 64 | A | 90.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M60 Q61 Q62 A68 F89 I117 L128 | M60-A64 WeakPolarHBondContact O-CB 3.44Å; M60-A64 PolarHBondContact O-N 2.86Å; Q61-A64 WeakPolarHBondContact O-CB 3.43Å; Q61-A64 PolarHBondContact O-N 3.35Å; Q62-A64 VanDerWaalsContact C-N 3.3Å; Q62-A64 PolarHBondContact O-N 3.02Å; A64-A68 VanDerWaalsContact O-CB 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 2.96Å; A64-F89 HydrophobicContact CB-CE1 4.49Å; A64-F89 HydrophobicContact CB-CE2 4.19Å; A64-F89 HydrophobicContact CB-CZ 3.63Å; A64-I117 HydrophobicContact CB-CD1 4.07Å; A64-I117 HydrophobicContact CB-CG2 4.27Å; A64-L128 HydrophobicContact CB-CD2 4.38Å |
| 65 | V | 90.9 | Very high | 89.1 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 10% | 0.097 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 111 | A49 Q61 Q62 A68 T69 F119 | A49-V65 HydrophobicContact CB-CG1 3.56Å; A49-V65 HydrophobicContact CB-CG2 4.06Å; Q61-V65 WeakPolarHBondContact O-CG2 3.45Å; Q61-V65 PolarHBondContact O-N 2.79Å; Q62-V65 PolarHBondContact O-N 2.87Å; V65-A68 PolarHBondContact O-N 2.91Å; V65-T69 WeakPolarHBondContact O-CB 3.3Å; V65-T69 PolarHBondContact O-N 3.05Å; V65-T69 PolarHBondContact O-OG1 3.26Å; V65-F119 HydrophobicContact CG2-CD2 4.25Å; V65-F119 HydrophobicContact CG2-CE2 4.17Å; V65-F119 HydrophobicContact CG2-CZ 4.46Å |
| 66 | E | 90.7 | Very high | 88.8 | Confident | 90 Ų | 90 | 60.3 Ų | 60.3 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.5 | -47 | 177.1 | -75 | 178.2 | -163.3 | 0 | 0 | 111.7 | Q62 D63 A68 T69 Q70 | Q62-E66 WeakPolarHBondContact CG-OE1 3.47Å; Q62-E66 PolarHBondContact NE2-OE1 3.4Å; Q62-E66 WeakPolarHBondContact O-CG 3.43Å; Q62-E66 PolarHBondContact O-N 2.95Å; D63-E66 PolarHBondContact O-N 3.36Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-A68 PolarHBondContact O-N 3.38Å; E66-T69 WeakPolarHBondContact O-CB 3.46Å; E66-T69 PolarHBondContact O-N 2.88Å; E66-T69 VanDerWaalsContact O-N 3.16Å; E66-Q70 WeakPolarHBondContact O-CG 3.47Å; E66-Q70 PolarHBondContact O-N 2.95Å |
| 67 | C | 91.4 | Very high | 88.8 | Confident | 14 Ų | 14 | 64.2 Ų | 64.2 | 10% | 0.095 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 174.7 | -83.9 | 0 | 0 | 0 | 0 | 111.8 | D63 Q70 A71 F89 | D63-C67 VanDerWaalsContact O-CB 3.27Å; D63-C67 WeakPolarHBondContact O-CB 3.5Å; D63-C67 PolarHBondContact O-N 3.09Å; D63-C67 PolarHBondContact O-SG 3.05Å; C67-Q70 PolarHBondContact O-N 2.85Å; C67-A71 VanDerWaalsContact O-CB 3.28Å; C67-A71 WeakPolarHBondContact O-CB 3.48Å; C67-A71 PolarHBondContact O-N 3.36Å; C67-F89 HydrophobicContact CB-CE2 4.16Å |
| 68 | A | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A64 V65 E66 A71 L72 I85 F119 L121 I126 | A64-A68 VanDerWaalsContact O-CB 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 2.96Å; V65-A68 PolarHBondContact O-N 2.91Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-A68 PolarHBondContact O-N 3.38Å; A68-A71 PolarHBondContact O-N 3.1Å; A68-L72 WeakPolarHBondContact O-CB 3.33Å; A68-L72 VanDerWaalsContact O-CG 3.3Å; A68-L72 WeakPolarHBondContact O-CG 3.35Å; A68-L72 PolarHBondContact O-N 3.42Å; A68-I85 HydrophobicContact CB-CD1 3.93Å; A68-F119 HydrophobicContact CB-CE2 3.93Å; A68-F119 HydrophobicContact CB-CZ 3.61Å; A68-L121 HydrophobicContact CB-CD1 4Å; A68-I126 HydrophobicContact CB-CD1 3.53Å |
| 69 | T | 89.7 | Confident | 88.6 | Confident | 39 Ų | 39 | 65.2 Ų | 65.2 | 24% | 0.239 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 177 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | V65 E66 A71 L72 E73 | V65-T69 WeakPolarHBondContact O-CB 3.3Å; V65-T69 PolarHBondContact O-N 3.05Å; V65-T69 PolarHBondContact O-OG1 3.26Å; E66-T69 WeakPolarHBondContact O-CB 3.46Å; E66-T69 PolarHBondContact O-N 2.88Å; E66-T69 VanDerWaalsContact O-N 3.16Å; T69-A71 VanDerWaalsContact C-N 3.33Å; T69-A71 PolarHBondContact O-N 2.84Å; T69-L72 PolarHBondContact O-N 3.35Å; T69-E73 WeakPolarHBondContact O-CG 3.49Å; T69-E73 PolarHBondContact O-N 2.92Å |
| 70 | Q | 89.4 | Confident | 88.6 | Confident | 85 Ų | 85 | 60 Ų | 60 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 176.5 | -67 | 178 | 32.6 | 0 | 0 | 112.2 | E66 C67 E73 K74 | E66-Q70 WeakPolarHBondContact O-CG 3.47Å; E66-Q70 PolarHBondContact O-N 2.95Å; C67-Q70 PolarHBondContact O-N 2.85Å; Q70-E73 PolarHBondContact O-N 2.85Å; Q70-K74 WeakPolarHBondContact O-CG 3.48Å; Q70-K74 PolarHBondContact O-N 3.48Å; Q70-K74 VanDerWaalsContact O-N 3.1Å |
| 71 | A | 89.7 | Confident | 88.6 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C67 A68 T69 E73 K74 Y75 I81 Y84 I85 | C67-A71 VanDerWaalsContact O-CB 3.28Å; C67-A71 WeakPolarHBondContact O-CB 3.48Å; C67-A71 PolarHBondContact O-N 3.36Å; A68-A71 PolarHBondContact O-N 3.1Å; T69-A71 VanDerWaalsContact C-N 3.33Å; T69-A71 PolarHBondContact O-N 2.84Å; A71-E73 VanDerWaalsContact C-N 3.26Å; A71-E73 PolarHBondContact O-N 2.88Å; A71-K74 PolarHBondContact O-N 3.14Å; A71-Y75 WeakPolarHBondContact O-CB 3.45Å; A71-Y75 WeakPolarHBondContact O-CD2 3.49Å; A71-Y75 PolarHBondContact O-N 3.06Å; A71-I81 HydrophobicContact CB-CB 4.48Å; A71-I81 HydrophobicContact CB-CG2 3.79Å; A71-Y84 HydrophobicContact CB-CD1 3.59Å; A71-Y84 HydrophobicContact CB-CE1 4.22Å; A71-Y84 HydrophobicContact CB-CG 4.27Å; A71-I85 HydrophobicContact CB-CD1 4.42Å; A71-I85 HydrophobicContact CB-CG1 4.05Å |
| 72 | L | 86.3 | Confident | 88.6 | Confident | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.1 | -22.9 | 177.2 | -75.3 | 165.9 | 0 | 0 | 0 | 113.6 | A68 T69 I81 L121 | A68-L72 WeakPolarHBondContact O-CB 3.33Å; A68-L72 VanDerWaalsContact O-CG 3.3Å; A68-L72 WeakPolarHBondContact O-CG 3.35Å; A68-L72 PolarHBondContact O-N 3.42Å; T69-L72 PolarHBondContact O-N 3.35Å; L72-I81 HydrophobicContact CD2-CD1 3.55Å; L72-I81 HydrophobicContact CD2-CG1 4.43Å; L72-I81 HydrophobicContact CD2-CG2 4.45Å; L72-I81 HydrophobicContact CG-CD1 4.42Å; L72-I81 HydrophobicContact CG-CG2 4.43Å; L72-L121 HydrophobicContact CD1-CB 4.29Å; L72-L121 HydrophobicContact CD1-CD1 3.79Å; L72-L121 HydrophobicContact CD1-CD2 3.51Å; L72-L121 HydrophobicContact CD1-CG 4.06Å |
| 73 | E | 85.8 | Confident | 88.6 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -80.5 | -38.9 | 174.3 | -69.6 | 176.4 | 178.1 | 0 | 0 | 112.2 | M44 R47 T69 Q70 A71 | M44-E73 VanDerWaalsContact CE-CD 3.42Å; M44-E73 WeakPolarHBondContact CE-OE1 3.39Å; M44-E73 WeakPolarHBondContact CE-OE2 3.06Å; M44-E73 WeakPolarHBondContact CG-OE1 3.49Å; R47-E73 VanDerWaalsContact NH1-CG 3.34Å; T69-E73 WeakPolarHBondContact O-CG 3.49Å; T69-E73 PolarHBondContact O-N 2.92Å; Q70-E73 PolarHBondContact O-N 2.85Å; A71-E73 VanDerWaalsContact C-N 3.26Å; A71-E73 PolarHBondContact O-N 2.88Å |
| 74 | K | 86.7 | Confident | 88.7 | Confident | 124 Ų | 124 | 55.9 Ų | 55.9 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -79.4 | -36.1 | -179.3 | -70 | 178.6 | -176.3 | 173.6 | 0 | 112.6 | Q70 A71 Y84 | Q70-K74 WeakPolarHBondContact O-CG 3.48Å; Q70-K74 PolarHBondContact O-N 3.48Å; Q70-K74 VanDerWaalsContact O-N 3.1Å; A71-K74 PolarHBondContact O-N 3.14Å; K74-Y84 PolarHBondContact NZ-OH 3.23Å; K74-Y84 VanDerWaalsContact NZ-OH 3.14Å |
| 75 | Y | 87.3 | Confident | 88.7 | Confident | 84 Ų | 84 | 56 Ų | 56 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | trans | -123.1 | 137.5 | -170.9 | -55.6 | -77.5 | 0 | 0 | 0 | 111.2 | A71 D80 Y84 | A71-Y75 WeakPolarHBondContact O-CB 3.45Å; A71-Y75 WeakPolarHBondContact O-CD2 3.49Å; A71-Y75 PolarHBondContact O-N 3.06Å; Y75-D80 HydrophobicContact CD1-CB 3.85Å; Y75-D80 HydrophobicContact CG-CB 4.08Å; Y75-Y84 HydrophobicContact CD2-CD2 4.5Å; Y75-Y84 HydrophobicContact CD2-CG 4.39Å; Y75-Y84 AromaticContact CE2-CD2 3.47Å; Y75-Y84 HydrophobicContact CE2-CD2 3.47Å; Y75-Y84 VanDerWaalsContact CE2-CD2 3.47Å; Y75-Y84 HydrophobicContact CE2-CE2 4.13Å; Y75-Y84 AromaticContact CE2-CG 3.74Å; Y75-Y84 HydrophobicContact CE2-CG 3.74Å | ||
| 76 | N | 81.8 | Confident | 88.7 | Confident | 114 Ų | 114 | 58.4 Ų | 58.4 | 61% | 0.61 | 29% | 0.287 | S | S | * | . | trans | -103.1 | -4.1 | 175.6 | -70.8 | -58.8 | 0 | 0 | 0 | 112.9 | ||||
| 77 | I | 87.1 | Confident | 88.8 | Confident | 100 Ų | 100 | 60.3 Ų | 60.3 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -105.6 | 121.8 | -176.8 | -58.8 | 176.3 | 0 | 0 | 0 | 108 | K79 D80 I81 | I77-K79 HydrophobicContact CG2-CB 4.11Å; I77-K79 PolarHBondContact O-N 2.86Å; I77-D80 HydrophobicContact CB-CB 4.24Å; I77-D80 PolarHBondContact O-N 2.81Å; I77-I81 WeakPolarHBondContact O-CG1 3.28Å; I77-I81 PolarHBondContact O-N 3.15Å |
| 78 | E | 84.3 | Confident | 88.8 | Confident | 83 Ų | 83 | 62.7 Ų | 62.7 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -53.9 | -40.6 | -176.6 | -65.6 | 163.5 | 152 | 0 | 0 | 112.4 | D80 I81 A82 V101 | E78-D80 VanDerWaalsContact C-N 3.34Å; E78-D80 PolarHBondContact O-N 2.78Å; E78-I81 PolarHBondContact O-N 3.13Å; E78-A82 WeakPolarHBondContact O-CB 3.38Å; E78-A82 PolarHBondContact O-N 3.11Å; E78-V101 HydrophobicContact CB-CB 4.43Å; E78-V101 HydrophobicContact CB-CG1 4.23Å; E78-V101 HydrophobicContact CG-CG1 4.37Å |
| 79 | K | 86.7 | Confident | 88.8 | Confident | 164 Ų | 164 | 62.7 Ų | 62.7 | 71% | 0.713 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.2 | -42.7 | 175 | -176.8 | -170.5 | 170.6 | -165.6 | 0 | 112.6 | I77 A82 A83 | I77-K79 HydrophobicContact CG2-CB 4.11Å; I77-K79 PolarHBondContact O-N 2.86Å; K79-A82 PolarHBondContact O-N 3.01Å; K79-A83 WeakPolarHBondContact O-CB 3.3Å; K79-A83 PolarHBondContact O-N 2.94Å |
| 80 | D | 89.8 | Confident | 88.9 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -74.2 | -36.7 | -177.1 | -63.9 | -17.8 | 0 | 0 | 0 | 110.7 | Y75 I77 E78 A83 Y84 | Y75-D80 HydrophobicContact CD1-CB 3.85Å; Y75-D80 HydrophobicContact CG-CB 4.08Å; I77-D80 HydrophobicContact CB-CB 4.24Å; I77-D80 PolarHBondContact O-N 2.81Å; E78-D80 VanDerWaalsContact C-N 3.34Å; E78-D80 PolarHBondContact O-N 2.78Å; D80-A83 PolarHBondContact O-N 3.42Å; D80-Y84 WeakPolarHBondContact O-CB 3.39Å; D80-Y84 PolarHBondContact O-N 3.31Å |
| 81 | I | 90.1 | Very high | 89 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.7 | -49.8 | 172.1 | -62.9 | 158.6 | 0 | 0 | 0 | 109.8 | A71 L72 I77 E78 A83 Y84 I85 V101 | A71-I81 HydrophobicContact CB-CB 4.48Å; A71-I81 HydrophobicContact CB-CG2 3.79Å; L72-I81 HydrophobicContact CD2-CD1 3.55Å; L72-I81 HydrophobicContact CD2-CG1 4.43Å; L72-I81 HydrophobicContact CD2-CG2 4.45Å; L72-I81 HydrophobicContact CG-CD1 4.42Å; L72-I81 HydrophobicContact CG-CG2 4.43Å; I77-I81 WeakPolarHBondContact O-CG1 3.28Å; I77-I81 PolarHBondContact O-N 3.15Å; E78-I81 PolarHBondContact O-N 3.13Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 3Å; I81-Y84 PolarHBondContact O-N 3.35Å; I81-I85 HydrophobicContact CG2-CD1 3.92Å; I81-I85 WeakPolarHBondContact O-CG1 3.27Å; I81-I85 PolarHBondContact O-N 3.43Å; I81-V101 HydrophobicContact CG2-CG1 4.35Å; I81-V101 HydrophobicContact CG2-CG2 4.11Å |
| 82 | A | 89.4 | Confident | 89 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | E78 K79 Y84 K86 C99 V101 | E78-A82 WeakPolarHBondContact O-CB 3.38Å; E78-A82 PolarHBondContact O-N 3.11Å; K79-A82 PolarHBondContact O-N 3.01Å; A82-Y84 PolarHBondContact O-N 2.98Å; A82-K86 VanDerWaalsContact O-CB 3.31Å; A82-K86 WeakPolarHBondContact O-CB 3.39Å; A82-K86 PolarHBondContact O-N 3.44Å; A82-C99 HydrophobicContact CB-CB 4.29Å; A82-C99 WeakPolarHBondContact O-CB 3.47Å; A82-V101 HydrophobicContact CB-CB 4.36Å; A82-V101 HydrophobicContact CB-CG2 3.8Å |
| 83 | A | 90.4 | Very high | 89 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K79 D80 I81 K87 | K79-A83 WeakPolarHBondContact O-CB 3.3Å; K79-A83 PolarHBondContact O-N 2.94Å; D80-A83 PolarHBondContact O-N 3.42Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 3Å; A83-K87 VanDerWaalsContact O-CB 3.31Å; A83-K87 WeakPolarHBondContact O-CB 3.49Å; A83-K87 PolarHBondContact O-N 2.9Å |
| 84 | Y | 93 | Very high | 89 | Confident | 36 Ų | 36 | 73.7 Ų | 73.7 | 14% | 0.141 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.5 | -51.7 | 176.2 | -178.3 | -91.3 | 0 | 0 | 0 | 111.5 | A71 K74 Y75 D80 I81 A82 K86 K87 E88 | A71-Y84 HydrophobicContact CB-CD1 3.59Å; A71-Y84 HydrophobicContact CB-CE1 4.22Å; A71-Y84 HydrophobicContact CB-CG 4.27Å; K74-Y84 PolarHBondContact NZ-OH 3.23Å; K74-Y84 VanDerWaalsContact NZ-OH 3.14Å; Y75-Y84 HydrophobicContact CD2-CD2 4.5Å; Y75-Y84 HydrophobicContact CD2-CG 4.39Å; Y75-Y84 AromaticContact CE2-CD2 3.47Å; Y75-Y84 HydrophobicContact CE2-CD2 3.47Å; Y75-Y84 VanDerWaalsContact CE2-CD2 3.47Å; Y75-Y84 HydrophobicContact CE2-CE2 4.13Å; Y75-Y84 AromaticContact CE2-CG 3.74Å; Y75-Y84 HydrophobicContact CE2-CG 3.74Å; D80-Y84 WeakPolarHBondContact O-CB 3.39Å; D80-Y84 PolarHBondContact O-N 3.31Å; I81-Y84 PolarHBondContact O-N 3.35Å; A82-Y84 PolarHBondContact O-N 2.98Å; Y84-K86 VanDerWaalsContact C-N 3.34Å; Y84-K86 PolarHBondContact O-N 3.4Å; Y84-K87 PolarHBondContact O-N 2.72Å; Y84-K87 VanDerWaalsContact O-N 3.15Å; Y84-E88 HydrophobicContact CD1-CG 4.35Å; Y84-E88 HydrophobicContact CE1-CG 4Å; Y84-E88 PolarHBondContact O-N 2.84Å |
| 85 | I | 92.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 180 | -63 | 165.3 | 0 | 0 | 0 | 110 | A68 A71 I81 K87 E88 F89 I126 L128 | A68-I85 HydrophobicContact CB-CD1 3.93Å; A71-I85 HydrophobicContact CB-CD1 4.42Å; A71-I85 HydrophobicContact CB-CG1 4.05Å; I81-I85 HydrophobicContact CG2-CD1 3.92Å; I81-I85 WeakPolarHBondContact O-CG1 3.27Å; I81-I85 PolarHBondContact O-N 3.43Å; I85-K87 VanDerWaalsContact C-N 3.31Å; I85-K87 PolarHBondContact O-N 3.01Å; I85-E88 PolarHBondContact O-N 3.48Å; I85-F89 HydrophobicContact CG2-CD2 4.01Å; I85-F89 HydrophobicContact CG2-CE2 4.37Å; I85-F89 WeakPolarHBondContact O-CB 3.42Å; I85-F89 WeakPolarHBondContact O-CD2 3.38Å; I85-F89 PolarHBondContact O-N 3.21Å; I85-I126 HydrophobicContact CD1-CG2 4.23Å; I85-L128 HydrophobicContact CG2-CD1 4.15Å; I85-L128 HydrophobicContact CG2-CD2 4.19Å |
| 86 | K | 91.4 | Very high | 89.2 | Confident | 68 Ų | 68 | 71.1 Ų | 71.1 | 30% | 0.296 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -54.2 | -48 | 176.1 | -179.4 | -171.4 | -175.3 | -45.5 | 0 | 111.5 | A82 Y84 E88 F89 D90 W97 C99 | A82-K86 VanDerWaalsContact O-CB 3.31Å; A82-K86 WeakPolarHBondContact O-CB 3.39Å; A82-K86 PolarHBondContact O-N 3.44Å; Y84-K86 VanDerWaalsContact C-N 3.34Å; Y84-K86 PolarHBondContact O-N 3.4Å; K86-E88 PolarHBondContact O-N 2.96Å; K86-F89 PolarHBondContact O-N 3.5Å; K86-D90 IonicContact NZ-OD1 3.27Å; K86-D90 IonicContact NZ-OD2 2.77Å; K86-D90 PolarHBondContact NZ-OD2 3.27Å; K86-D90 WeakPolarHBondContact O-CB 3.49Å; K86-D90 PolarHBondContact O-N 3.43Å; K86-W97 WeakPolarHBondContact CD-O 3.41Å; K86-W97 WeakPolarHBondContact CE-O 3.35Å; K86-W97 HydrophobicContact CG-CB 4.46Å; K86-W97 WeakPolarHBondContact CG-O 3.08Å; K86-W97 PolarHBondContact NZ-O 3.37Å; K86-C99 HydrophobicContact CB-CB 4.28Å |
| 87 | K | 91.9 | Very high | 89.6 | Confident | 130 Ų | 130 | 65.7 Ų | 65.7 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.9 | -38.2 | -176.3 | -174.5 | 177.5 | -177.9 | -179.5 | 0 | 112.5 | A83 Y84 I85 K91 | A83-K87 VanDerWaalsContact O-CB 3.31Å; A83-K87 WeakPolarHBondContact O-CB 3.49Å; A83-K87 PolarHBondContact O-N 2.9Å; Y84-K87 PolarHBondContact O-N 2.72Å; Y84-K87 VanDerWaalsContact O-N 3.15Å; I85-K87 VanDerWaalsContact C-N 3.31Å; I85-K87 PolarHBondContact O-N 3.01Å; K87-K91 VanDerWaalsContact O-CG 3.3Å; K87-K91 WeakPolarHBondContact O-CG 3.1Å; K87-K91 PolarHBondContact O-N 3.34Å |
| 88 | E | 92.3 | Very high | 89.7 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71 | -41.5 | 177.4 | -68.4 | -59.5 | 106.4 | 0 | 0 | 111.2 | Y84 I85 K86 K91 K92 | Y84-E88 HydrophobicContact CD1-CG 4.35Å; Y84-E88 HydrophobicContact CE1-CG 4Å; Y84-E88 PolarHBondContact O-N 2.84Å; I85-E88 PolarHBondContact O-N 3.48Å; K86-E88 PolarHBondContact O-N 2.96Å; E88-K91 PolarHBondContact O-N 3.06Å; E88-K91 IonicContact OE1-NZ 2.84Å; E88-K91 PolarHBondContact OE1-NZ 3.15Å; E88-K92 PolarHBondContact O-N 2.88Å |
| 89 | F | 90.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 175.8 | -90.8 | -100.7 | 0 | 0 | 0 | 113.2 | M60 A64 C67 I85 K86 K91 K92 Y93 W97 L128 | M60-F89 HydrophobicContact CG-CE1 4.14Å; A64-F89 HydrophobicContact CB-CE1 4.49Å; A64-F89 HydrophobicContact CB-CE2 4.19Å; A64-F89 HydrophobicContact CB-CZ 3.63Å; C67-F89 HydrophobicContact CB-CE2 4.16Å; I85-F89 HydrophobicContact CG2-CD2 4.01Å; I85-F89 HydrophobicContact CG2-CE2 4.37Å; I85-F89 WeakPolarHBondContact O-CB 3.42Å; I85-F89 WeakPolarHBondContact O-CD2 3.38Å; I85-F89 PolarHBondContact O-N 3.21Å; K86-F89 PolarHBondContact O-N 3.5Å; F89-K91 PolarHBondContact O-N 3.03Å; F89-K92 PolarHBondContact O-N 2.93Å; F89-Y93 AromaticContact CD1-CD2 3.46Å; F89-Y93 HydrophobicContact CD1-CD2 3.46Å; F89-Y93 VanDerWaalsContact CD1-CD2 3.46Å; F89-Y93 AromaticContact CD1-CE2 3.89Å; F89-Y93 HydrophobicContact CD1-CE2 3.89Å; F89-Y93 HydrophobicContact CD1-CG 4.47Å; F89-Y93 AromaticContact CE1-CD2 3.69Å; F89-Y93 HydrophobicContact CE1-CD2 3.69Å; F89-Y93 AromaticContact CE1-CE2 3.63Å; F89-Y93 HydrophobicContact CE1-CE2 3.63Å; F89-Y93 HydrophobicContact CG-CD2 4.22Å; F89-Y93 HydrophobicContact CZ-CE2 4.21Å; F89-Y93 PolarHBondContact O-N 3.03Å; F89-W97 HydrophobicContact CB-CB 4.35Å; F89-W97 HydrophobicContact CB-CD2 4.03Å; F89-W97 HydrophobicContact CB-CG 3.91Å; F89-W97 HydrophobicContact CD1-CD2 4.17Å; F89-W97 HydrophobicContact CD1-CE3 4.16Å; F89-W97 HydrophobicContact CD1-CH2 4.05Å; F89-W97 HydrophobicContact CD1-CZ2 4.08Å; F89-W97 HydrophobicContact CD1-CZ3 4.1Å; F89-W97 HydrophobicContact CE1-CH2 4.48Å; F89-L128 HydrophobicContact CD1-CD2 3.72Å; F89-L128 HydrophobicContact CD2-CD2 3.95Å; F89-L128 HydrophobicContact CE1-CD2 3.72Å; F89-L128 HydrophobicContact CE2-CD2 3.95Å; F89-L128 HydrophobicContact CG-CD2 3.85Å; F89-L128 HydrophobicContact CZ-CD2 3.85Å |
| 90 | D | 90.9 | Very high | 90.2 | Very high | 32 Ų | 32 | 56.1 Ų | 56.1 | 17% | 0.171 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.8 | -35.8 | 175.5 | -78.9 | -22.7 | 0 | 0 | 0 | 112.2 | K86 N94 P95 W97 | K86-D90 IonicContact NZ-OD1 3.27Å; K86-D90 IonicContact NZ-OD2 2.77Å; K86-D90 PolarHBondContact NZ-OD2 3.27Å; K86-D90 WeakPolarHBondContact O-CB 3.49Å; K86-D90 PolarHBondContact O-N 3.43Å; D90-N94 CarbonylContact O-C 3.44Å; D90-N94 WeakPolarHBondContact O-CA 3.34Å; D90-N94 PolarHBondContact O-N 2.92Å; D90-P95 HydrophobicContact CB-CB 4.48Å; D90-W97 WeakPolarHBondContact OD1-CB 3.41Å; D90-W97 PolarHBondContact OD1-N 3.34Å |
| 91 | K | 91.2 | Very high | 90.2 | Very high | 137 Ų | 137 | 54 Ų | 54 | 60% | 0.596 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -74 | -36.9 | 178.1 | -71.2 | 169.5 | -175.1 | 169.3 | 0 | 112.8 | K87 E88 F89 | K87-K91 VanDerWaalsContact O-CG 3.3Å; K87-K91 WeakPolarHBondContact O-CG 3.1Å; K87-K91 PolarHBondContact O-N 3.34Å; E88-K91 PolarHBondContact O-N 3.06Å; E88-K91 IonicContact OE1-NZ 2.84Å; E88-K91 PolarHBondContact OE1-NZ 3.15Å; F89-K91 PolarHBondContact O-N 3.03Å |
| 92 | K | 90.1 | Very high | 90.1 | Very high | 114 Ų | 114 | 54.4 Ų | 54.4 | 50% | 0.496 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -89.8 | -35.7 | -171.6 | -167.5 | 173 | 178 | -171.4 | 0 | 113 | D63 E88 F89 | D63-K92 IonicContact OD1-NZ 2.6Å; D63-K92 PolarHBondContact OD1-NZ 3.23Å; D63-K92 WeakPolarHBondContact OD2-CD 3.44Å; D63-K92 IonicContact OD2-NZ 3.78Å; D63-K92 PolarHBondContact OD2-NZ 2.94Å; E88-K92 PolarHBondContact O-N 2.88Å; F89-K92 PolarHBondContact O-N 2.93Å |
| 93 | Y | 86.3 | Confident | 89.8 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 21% | 0.212 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -124.4 | 18.6 | -171 | -60.2 | -71.1 | 0 | 0 | 0 | 113.7 | M60 D63 F89 W97 | M60-Y93 HydrophobicContact CE-CD1 3.63Å; M60-Y93 HydrophobicContact CE-CE1 3.41Å; M60-Y93 VanDerWaalsContact CE-CE1 3.41Å; M60-Y93 HydrophobicContact CE-CG 4.36Å; M60-Y93 HydrophobicContact CG-CE1 4.3Å; M60-Y93 HydrophobicContact CG-CE2 4.11Å; M60-Y93 HydrophobicContact SD-CD1 4.39Å; M60-Y93 HydrophobicContact SD-CE1 4.28Å; D63-Y93 PolarHBondContact OD2-OH 2.96Å; F89-Y93 AromaticContact CD1-CD2 3.46Å; F89-Y93 HydrophobicContact CD1-CD2 3.46Å; F89-Y93 VanDerWaalsContact CD1-CD2 3.46Å; F89-Y93 AromaticContact CD1-CE2 3.89Å; F89-Y93 HydrophobicContact CD1-CE2 3.89Å; F89-Y93 HydrophobicContact CD1-CG 4.47Å; F89-Y93 AromaticContact CE1-CD2 3.69Å; F89-Y93 HydrophobicContact CE1-CD2 3.69Å; F89-Y93 AromaticContact CE1-CE2 3.63Å; F89-Y93 HydrophobicContact CE1-CE2 3.63Å; F89-Y93 HydrophobicContact CG-CD2 4.22Å; F89-Y93 HydrophobicContact CZ-CE2 4.21Å; F89-Y93 PolarHBondContact O-N 3.03Å; Y93-W97 HydrophobicContact CG-CZ2 4.29Å |
| 94 | N | 86.4 | Confident | 89.3 | Confident | 111 Ų | 111 | 62.3 Ų | 62.3 | 59% | 0.594 | 31% | 0.306 | S | S | * | . | trans | 67.4 | 145.2 | -179.2 | -56.6 | 30.1 | 0 | 0 | 0 | 113.9 | D90 W97 | D90-N94 CarbonylContact O-C 3.44Å; D90-N94 WeakPolarHBondContact O-CA 3.34Å; D90-N94 PolarHBondContact O-N 2.92Å; N94-W97 PolarHBondContact O-NE1 2.8Å | ||
| 95 | P | 88.5 | Confident | 88.8 | Confident | 86 Ų | 86 | 63.1 Ų | 63.1 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -69.3 | 159.6 | 175.3 | 29.7 | -35.3 | 0 | 0 | 0 | 112.3 | D90 | D90-P95 HydrophobicContact CB-CB 4.48Š|
| 96 | T | 88.6 | Confident | 88.1 | Confident | 68 Ų | 68 | 67 Ų | 67 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | cis | -109.3 | 113.8 | 3.2 | 39.9 | 0 | 0 | 0 | 0 | 113 | S131 | T96-S131 PolarHBondContact O-N 2.6Å; T96-S131 PolarHBondContact OG1-O 2.84Å | ||
| 97 | W | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 151.4 | 171.4 | -70.4 | 81 | 0 | 0 | 0 | 111.9 | M56 M60 K86 F89 D90 Y93 N94 H115 L128 K130 | M56-W97 HydrophobicContact CE-CH2 4.47Å; M56-W97 HydrophobicContact CE-CZ3 4.43Å; M60-W97 HydrophobicContact SD-CH2 4.2Å; K86-W97 WeakPolarHBondContact CD-O 3.41Å; K86-W97 WeakPolarHBondContact CE-O 3.35Å; K86-W97 HydrophobicContact CG-CB 4.46Å; K86-W97 WeakPolarHBondContact CG-O 3.08Å; K86-W97 PolarHBondContact NZ-O 3.37Å; F89-W97 HydrophobicContact CB-CB 4.35Å; F89-W97 HydrophobicContact CB-CD2 4.03Å; F89-W97 HydrophobicContact CB-CG 3.91Å; F89-W97 HydrophobicContact CD1-CD2 4.17Å; F89-W97 HydrophobicContact CD1-CE3 4.16Å; F89-W97 HydrophobicContact CD1-CH2 4.05Å; F89-W97 HydrophobicContact CD1-CZ2 4.08Å; F89-W97 HydrophobicContact CD1-CZ3 4.1Å; F89-W97 HydrophobicContact CE1-CH2 4.48Å; D90-W97 WeakPolarHBondContact OD1-CB 3.41Å; D90-W97 PolarHBondContact OD1-N 3.34Å; Y93-W97 HydrophobicContact CG-CZ2 4.29Å; N94-W97 PolarHBondContact O-NE1 2.8Å; W97-H115 HydrophobicContact CH2-CB 3.84Å; W97-H115 AromaticContact CH2-CD2 3.84Å; W97-H115 HydrophobicContact CZ2-CB 4.4Å; W97-H115 AromaticContact CZ2-CD2 3.75Å; W97-H115 HydrophobicContact CZ3-CB 4.3Å; W97-L128 HydrophobicContact CB-CD1 4.44Å; W97-L128 HydrophobicContact CE3-CD1 3.79Å; W97-L128 HydrophobicContact CE3-CD2 4.19Å; W97-L128 HydrophobicContact CE3-CG 3.73Å; W97-L128 HydrophobicContact CZ3-CD2 4.17Å; W97-L128 HydrophobicContact CZ3-CG 3.94Å; W97-K130 HydrophobicContact CD2-CB 4.13Å; W97-K130 HydrophobicContact CD2-CG 4.47Å; W97-K130 HydrophobicContact CE3-CB 4.12Å; W97-K130 HydrophobicContact CH2-CB 4.43Å; W97-K130 HydrophobicContact CZ2-CB 4.4Å; W97-K130 HydrophobicContact CZ2-CD 4.34Å; W97-K130 HydrophobicContact CZ3-CB 4.28Å |
| 98 | H | 89.8 | Confident | 86.7 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 35% | 0.347 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.1 | 176 | -65.4 | -95.7 | 0 | 0 | 0 | 109.2 | L128 F129 | H98-L128 WeakPolarHBondContact O-CA 3.3Å; H98-F129 HydrophobicContact CB-CD1 4.09Å; H98-F129 HydrophobicContact CB-CD2 4.13Å; H98-F129 HydrophobicContact CB-CE1 3.63Å; H98-F129 HydrophobicContact CB-CE2 3.67Å; H98-F129 HydrophobicContact CB-CG 4.33Å; H98-F129 HydrophobicContact CB-CZ 3.39Å; H98-F129 AromaticContact CG-CE2 3.95Å; H98-F129 AromaticContact CG-CZ 3.97Å; H98-F129 PolarHBondContact N-O 2.81Å; H98-F129 PolarHBondContact O-N 2.83Å |
| 99 | C | 91.1 | Very high | 86 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.4 | 179.4 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | A82 K86 L127 L128 | A82-C99 HydrophobicContact CB-CB 4.29Å; A82-C99 WeakPolarHBondContact O-CB 3.47Å; K86-C99 HydrophobicContact CB-CB 4.28Å; C99-L127 CarbonylContact C-O 3.5Å; C99-L127 WeakPolarHBondContact CA-O 3.31Å; C99-L128 HydrophobicContact CB-CD1 3.92Å |
| 100 | I | 90.1 | Very high | 85.6 | Confident | 50 Ų | 50 | 73.2 Ų | 73.2 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130 | 176.3 | -55.3 | 179.3 | 0 | 0 | 0 | 107.7 | F105 I126 L127 F129 | I100-F105 HydrophobicContact CG2-CD2 4.08Å; I100-F105 HydrophobicContact CG2-CE2 4.08Å; I100-F105 HydrophobicContact CG2-CG 4.35Å; I100-F105 HydrophobicContact CG2-CZ 4.33Å; I100-I126 WeakPolarHBondContact O-CA 3.33Å; I100-L127 HydrophobicContact CB-CB 4.33Å; I100-L127 HydrophobicContact CD1-CD2 4.35Å; I100-L127 PolarHBondContact N-O 3.18Å; I100-L127 PolarHBondContact O-N 2.94Å; I100-F129 HydrophobicContact CD1-CE1 4.23Å |
| 101 | V | 89.8 | Confident | 85.1 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 10% | 0.097 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132.7 | -179.2 | -179 | 0 | 0 | 0 | 0 | 108.3 | E78 I81 A82 V124 A125 I126 | E78-V101 HydrophobicContact CB-CB 4.43Å; E78-V101 HydrophobicContact CB-CG1 4.23Å; E78-V101 HydrophobicContact CG-CG1 4.37Å; I81-V101 HydrophobicContact CG2-CG1 4.35Å; I81-V101 HydrophobicContact CG2-CG2 4.11Å; A82-V101 HydrophobicContact CB-CB 4.36Å; A82-V101 HydrophobicContact CB-CG2 3.8Å; V101-V124 HydrophobicContact CG1-CG1 3.38Å; V101-A125 WeakPolarHBondContact CA-O 3.31Å; V101-I126 HydrophobicContact CG1-CG1 4.33Å; V101-I126 HydrophobicContact CG2-CG1 4.27Å; V101-I126 HydrophobicContact CG2-CG2 4.31Å |
| 102 | G | 86.8 | Confident | 84.7 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 9% | 0.093 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177 | 166.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F105 A125 | G102-F105 WeakPolarHBondContact O-CE1 3.47Å; G102-A125 PolarHBondContact N-O 3.27Å; G102-A125 WeakPolarHBondContact O-CA 3.32Å; G102-A125 WeakPolarHBondContact O-CB 2.98Å; G102-A125 PolarHBondContact O-N 2.77Å |
| 103 | R | 83.9 | Confident | 84.3 | Confident | 74 Ų | 74 | 68.2 Ų | 68.2 | 28% | 0.279 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -83.9 | -35.2 | -179.5 | -56.4 | -174.5 | -168 | -161 | 0.5 | 113.4 | ||
| 104 | N | 79.7 | Confident | 84.3 | Confident | 160 Ų | 160 | 72.6 Ų | 72.6 | 86% | 0.856 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -137.8 | 97.7 | -177.7 | -68.4 | 80.3 | 0 | 0 | 0 | 108.8 | ||
| 105 | F | 81.6 | Confident | 84.4 | Confident | 54 Ų | 54 | 69.6 Ų | 69.6 | 24% | 0.237 | 38% | 0.379 | C | S | . | . | trans | -143.9 | 144.8 | 172.7 | 65.3 | -90.5 | 0 | 0 | 0 | 110.4 | I100 G102 Y118 A125 L127 | I100-F105 HydrophobicContact CG2-CD2 4.08Å; I100-F105 HydrophobicContact CG2-CE2 4.08Å; I100-F105 HydrophobicContact CG2-CG 4.35Å; I100-F105 HydrophobicContact CG2-CZ 4.33Å; G102-F105 WeakPolarHBondContact O-CE1 3.47Å; F105-Y118 HydrophobicContact CE2-CE2 4.18Å; F105-Y118 HydrophobicContact CZ-CE2 4Å; F105-A125 HydrophobicContact CD1-CB 4.24Å; F105-A125 HydrophobicContact CE1-CB 3.34Å; F105-A125 WeakPolarHBondContact CE1-O 3.5Å; F105-A125 HydrophobicContact CZ-CB 3.7Å; F105-L127 HydrophobicContact CE2-CB 3.78Å; F105-L127 HydrophobicContact CE2-CD2 4.24Å; F105-L127 HydrophobicContact CZ-CB 3.92Å | ||
| 106 | G | 78.3 | Confident | 84.5 | Confident | 83 Ų | 83 | 65.7 Ų | 65.7 | 86% | 0.856 | 35% | 0.354 | S | S | * | . | trans | -122.8 | 124.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 107 | S | 72.4 | Confident | 84.7 | Confident | 51 Ų | 51 | 62.5 Ų | 62.5 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | trans | -133.7 | 133.8 | -179.2 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | L127 | S107-L127 WeakPolarHBondContact OG-CD2 3.5Š| ||
| 108 | Y | 80.9 | Confident | 84.7 | Confident | 195 Ų | 195 | 63.9 Ų | 63.9 | 77% | 0.765 | 34% | 0.339 | S | S | * | . | trans | -101.7 | 112.8 | 170.9 | -173.4 | -97.1 | 0 | 0 | 0 | 108.2 | ||||
| 109 | V | 78.8 | Confident | 84.8 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | trans | -131.9 | 135.2 | -175.1 | -61.7 | 0 | 0 | 0 | 0 | 110.5 | F116 L127 F129 | V109-F116 HydrophobicContact CG2-CE2 4.35Å; V109-L127 HydrophobicContact CG2-CD2 4.32Å; V109-F129 HydrophobicContact CB-CD2 4.32Å; V109-F129 HydrophobicContact CB-CE1 4.17Å; V109-F129 HydrophobicContact CB-CE2 3.96Å; V109-F129 HydrophobicContact CB-CZ 3.87Å; V109-F129 HydrophobicContact CG1-CE1 3.87Å; V109-F129 HydrophobicContact CG1-CE2 4.24Å; V109-F129 HydrophobicContact CG1-CZ 3.65Å; V109-F129 HydrophobicContact CG2-CD1 3.98Å; V109-F129 HydrophobicContact CG2-CD2 4.25Å; V109-F129 HydrophobicContact CG2-CE1 4.07Å; V109-F129 HydrophobicContact CG2-CE2 4.33Å; V109-F129 HydrophobicContact CG2-CG 4.08Å; V109-F129 HydrophobicContact CG2-CZ 4.24Å | ||
| 110 | T | 81.9 | Confident | 84.7 | Confident | 107 Ų | 107 | 62.8 Ų | 62.8 | 66% | 0.656 | 33% | 0.33 | S | S | * | . | trans | -85.8 | 123.3 | 168.5 | 49.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 111 | H | 80.3 | Confident | 84.6 | Confident | 37 Ų | 37 | 60.7 Ų | 60.7 | 17% | 0.171 | 32% | 0.319 | C | S | . | . | trans | -123.6 | 157.4 | -177.6 | 56.7 | -87.4 | 0 | 0 | 0 | 110.7 | D3 F116 F129 K130 | D3-H111 PolarHBondContact O-CE1 2.85Å; H111-F116 HydrophobicContact CB-CB 4.46Å; H111-F116 HydrophobicContact CB-CD2 4.21Å; H111-F116 WeakPolarHBondContact CD2-CB 3.47Å; H111-F116 AromaticContact CD2-CD2 3.96Å; H111-F116 AromaticContact CD2-CG 3.87Å; H111-F116 AromaticContact CE1-CD2 3.69Å; H111-F116 AromaticContact CE1-CG 3.9Å; H111-F116 AromaticContact CG-CD2 3.66Å; H111-F116 AromaticContact ND1-CD2 3.49Å; H111-F116 WeakPolarHBondContact ND1-CD2 3.43Å; H111-F116 AromaticContact NE2-CD2 3.98Å; H111-F116 AromaticContact NE2-CG 3.78Å; H111-F129 HydrophobicContact CB-CB 3.93Å; H111-F129 HydrophobicContact CB-CD2 4.29Å; H111-K130 WeakPolarHBondContact CA-O 3.35Å | ||
| 112 | E | 83.1 | Confident | 84.4 | Confident | 61 Ų | 61 | 62.1 Ų | 62.1 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | trans | -67.5 | 142.5 | 167 | -72.9 | 179.5 | -147.5 | 0 | 0 | 110.5 | H115 K130 | E112-H115 PolarHBondContact O-N 2.84Å; E112-K130 PolarHBondContact N-O 2.94Å; E112-K130 IonicContact OE1-NZ 2.77Å; E112-K130 PolarHBondContact OE1-NZ 3.39Å; E112-K130 IonicContact OE2-NZ 2.72Å; E112-K130 PolarHBondContact OE2-NZ 2.93Å | ||
| 113 | T | 82.1 | Confident | 84.3 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 143.4 | 174.8 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | H115 | T113-H115 PolarHBondContact O-N 2.86Å; T113-H115 PolarHBondContact O-ND1 3.34Å |
| 114 | K | 85.7 | Confident | 84.4 | Confident | 145 Ų | 145 | 64.9 Ų | 64.9 | 63% | 0.63 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 11.1 | 179.4 | -52.7 | -176.6 | 176.9 | -178.6 | 0 | 116.1 | D55 M56 | D55-K114 CarbonylContact O-C 3.54Å; D55-K114 WeakPolarHBondContact O-CA 3.36Å; D55-K114 PolarHBondContact OD2-N 2.83Å; M56-K114 WeakPolarHBondContact CB-O 3.43Å |
| 115 | H | 88.2 | Confident | 84.9 | Confident | 48 Ų | 48 | 57.3 Ų | 57.3 | 22% | 0.222 | 31% | 0.311 | C | S | . | . | trans | -132.3 | 49.1 | -179.4 | -58.7 | 88.5 | 0 | 0 | 0 | 111.6 | D55 W97 E112 T113 F129 K130 | D55-H115 PolarHBondContact O-N 2.86Å; D55-H115 VanDerWaalsContact O-N 3.11Å; W97-H115 HydrophobicContact CH2-CB 3.84Å; W97-H115 AromaticContact CH2-CD2 3.84Å; W97-H115 HydrophobicContact CZ2-CB 4.4Å; W97-H115 AromaticContact CZ2-CD2 3.75Å; W97-H115 HydrophobicContact CZ3-CB 4.3Å; E112-H115 PolarHBondContact O-N 2.84Å; T113-H115 PolarHBondContact O-N 2.86Å; T113-H115 PolarHBondContact O-ND1 3.34Å; H115-F129 WeakPolarHBondContact O-CA 3.33Å; H115-K130 HydrophobicContact CB-CB 3.57Å; H115-K130 HydrophobicContact CB-CD 4.31Å; H115-K130 PolarHBondContact O-N 3.49Å | ||
| 116 | F | 90.4 | Very high | 85.3 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 2% | 0.022 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 131.6 | -179.2 | 174.9 | -84.2 | 0 | 0 | 0 | 111.9 | V5 N53 D55 V109 H111 L127 F129 | V5-F116 HydrophobicContact CB-CE1 4.36Å; V5-F116 HydrophobicContact CB-CZ 4.02Å; V5-F116 HydrophobicContact CG1-CE1 4.42Å; V5-F116 HydrophobicContact CG1-CZ 4.08Å; V5-F116 HydrophobicContact CG2-CD1 4.02Å; V5-F116 HydrophobicContact CG2-CE1 3.33Å; V5-F116 HydrophobicContact CG2-CE2 4.16Å; V5-F116 HydrophobicContact CG2-CZ 3.41Å; V5-F116 VanDerWaalsContact CG2-CZ 3.41Å; N53-F116 HydrophobicContact CB-CE1 3.87Å; D55-F116 CarbonylContact C-O 2.8Å; D55-F116 HydrophobicContact CB-CB 4.35Å; D55-F116 PolarHBondContact N-O 3.16Å; D55-F116 PolarHBondContact O-N 3.46Å; D55-F116 VanDerWaalsContact O-N 3.13Å; V109-F116 HydrophobicContact CG2-CE2 4.35Å; H111-F116 HydrophobicContact CB-CB 4.46Å; H111-F116 HydrophobicContact CB-CD2 4.21Å; H111-F116 WeakPolarHBondContact CD2-CB 3.47Å; H111-F116 AromaticContact CD2-CD2 3.96Å; H111-F116 AromaticContact CD2-CG 3.87Å; H111-F116 AromaticContact CE1-CD2 3.69Å; H111-F116 AromaticContact CE1-CG 3.9Å; H111-F116 AromaticContact CG-CD2 3.66Å; H111-F116 AromaticContact ND1-CD2 3.49Å; H111-F116 WeakPolarHBondContact ND1-CD2 3.43Å; H111-F116 AromaticContact NE2-CD2 3.98Å; H111-F116 AromaticContact NE2-CG 3.78Å; F116-L127 HydrophobicContact CD2-CD1 4.49Å; F116-L127 HydrophobicContact CE2-CD1 3.56Å; F116-L127 HydrophobicContact CZ-CD1 3.57Å; F116-F129 HydrophobicContact CD2-CB 3.88Å |
| 117 | I | 92.5 | Very high | 86 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 136.6 | 172.4 | -168.9 | 177.3 | 0 | 0 | 0 | 111.3 | A54 M56 Q61 A64 F119 L128 | A54-I117 HydrophobicContact CB-CD1 4.5Å; A54-I117 HydrophobicContact CB-CG1 4Å; M56-I117 HydrophobicContact CE-CB 3.6Å; M56-I117 HydrophobicContact CE-CG2 3.57Å; M56-I117 HydrophobicContact SD-CB 3.88Å; M56-I117 HydrophobicContact SD-CD1 4.14Å; M56-I117 HydrophobicContact SD-CG2 4.06Å; Q61-I117 HydrophobicContact CB-CD1 4.01Å; Q61-I117 HydrophobicContact CG-CD1 4.1Å; A64-I117 HydrophobicContact CB-CD1 4.07Å; A64-I117 HydrophobicContact CB-CG2 4.27Å; I117-F119 HydrophobicContact CD1-CD1 3.95Å; I117-F119 HydrophobicContact CD1-CE1 4.31Å; I117-F119 HydrophobicContact CG1-CD1 3.92Å; I117-F119 HydrophobicContact CG2-CE1 4.44Å; I117-L128 HydrophobicContact CG2-CB 3.72Å; I117-L128 HydrophobicContact CG2-CD2 4.1Å; I117-L128 HydrophobicContact CG2-CG 4.32Å; I117-L128 PolarHBondContact N-O 3.41Å; I117-L128 PolarHBondContact O-N 3.21Å |
| 118 | Y | 91.3 | Very high | 86.9 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 11% | 0.114 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 116.1 | 176.1 | 179.6 | -125.5 | 0 | 0 | 0 | 109.7 | K52 N53 F105 Y120 A125 L127 | K52-Y118 HydrophobicContact CB-CD1 3.43Å; K52-Y118 VanDerWaalsContact CB-CD1 3.43Å; K52-Y118 HydrophobicContact CB-CE1 3.78Å; K52-Y118 HydrophobicContact CB-CG 4.38Å; K52-Y118 HydrophobicContact CG-CD1 4.01Å; K52-Y118 HydrophobicContact CG-CE1 3.87Å; K52-Y118 PolarHBondContact N-O 3.29Å; N53-Y118 PolarHBondContact N-O 3.35Å; N53-Y118 VanDerWaalsContact N-O 3.16Å; N53-Y118 PolarHBondContact O-N 3.18Å; N53-Y118 VanDerWaalsContact O-O 3.13Å; F105-Y118 HydrophobicContact CE2-CE2 4.18Å; F105-Y118 HydrophobicContact CZ-CE2 4Å; Y118-Y120 AromaticContact CE1-CE2 3.89Å; Y118-Y120 HydrophobicContact CE1-CE2 3.89Å; Y118-Y120 HydrophobicContact CE2-CE2 4.39Å; Y118-Y120 AromaticContact CZ-CE2 3.59Å; Y118-Y120 VanDerWaalsContact OH-CE2 3.26Å; Y118-Y120 WeakPolarHBondContact OH-CE2 3.35Å; Y118-Y120 VanDerWaalsContact OH-CZ 3.3Å; Y118-Y120 PolarHBondContact OH-OH 2.77Å; Y118-A125 HydrophobicContact CE2-CB 4.06Å; Y118-L127 HydrophobicContact CD2-CB 4.04Å; Y118-L127 HydrophobicContact CD2-CD1 3.8Å; Y118-L127 HydrophobicContact CG-CD1 4.08Å |
| 119 | F | 91.6 | Very high | 87.3 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 158.8 | -177.9 | 66.9 | -80.2 | 0 | 0 | 0 | 111.8 | V50 I51 V65 A68 I117 L121 I126 | V50-F119 CarbonylContact O-C 3.5Å; V50-F119 VanDerWaalsContact O-CA 3.31Å; V50-F119 WeakPolarHBondContact O-CA 3.46Å; I51-F119 HydrophobicContact CB-CB 4.42Å; I51-F119 HydrophobicContact CG1-CB 4.11Å; V65-F119 HydrophobicContact CG2-CD2 4.25Å; V65-F119 HydrophobicContact CG2-CE2 4.17Å; V65-F119 HydrophobicContact CG2-CZ 4.46Å; A68-F119 HydrophobicContact CB-CE2 3.93Å; A68-F119 HydrophobicContact CB-CZ 3.61Å; I117-F119 HydrophobicContact CD1-CD1 3.95Å; I117-F119 HydrophobicContact CD1-CE1 4.31Å; I117-F119 HydrophobicContact CG1-CD1 3.92Å; I117-F119 HydrophobicContact CG2-CE1 4.44Å; F119-L121 HydrophobicContact CD2-CB 4.38Å; F119-L121 HydrophobicContact CE2-CB 4.24Å; F119-L121 HydrophobicContact CE2-CD1 4.1Å; F119-I126 HydrophobicContact CD1-CB 4.31Å; F119-I126 HydrophobicContact CE1-CB 3.88Å; F119-I126 HydrophobicContact CE1-CG2 3.74Å; F119-I126 HydrophobicContact CE2-CB 4.1Å; F119-I126 HydrophobicContact CE2-CD1 3.87Å; F119-I126 HydrophobicContact CE2-CG1 4.4Å; F119-I126 HydrophobicContact CZ-CB 3.78Å; F119-I126 HydrophobicContact CZ-CD1 3.93Å; F119-I126 HydrophobicContact CZ-CG1 4.39Å; F119-I126 HydrophobicContact CZ-CG2 3.75Å; F119-I126 PolarHBondContact N-O 2.88Å; F119-I126 PolarHBondContact O-N 3.36Å |
| 120 | Y | 89.9 | Confident | 87.8 | Confident | 72 Ų | 72 | 39.8 Ų | 39.8 | 28% | 0.282 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.6 | 172.2 | -76.4 | -101.4 | 0 | 0 | 0 | 109.3 | A49 V50 K52 Y118 V124 A125 | A49-Y120 CarbonylContact C-O 3.55Å; A49-Y120 WeakPolarHBondContact CA-O 3.48Å; V50-Y120 PolarHBondContact N-O 3.18Å; V50-Y120 PolarHBondContact O-N 3.03Å; K52-Y120 HydrophobicContact CD-CD2 4.35Å; K52-Y120 HydrophobicContact CD-CE2 4.39Å; K52-Y120 HydrophobicContact CG-CD2 3.65Å; K52-Y120 HydrophobicContact CG-CE2 3.74Å; Y118-Y120 AromaticContact CE1-CE2 3.89Å; Y118-Y120 HydrophobicContact CE1-CE2 3.89Å; Y118-Y120 HydrophobicContact CE2-CE2 4.39Å; Y118-Y120 AromaticContact CZ-CE2 3.59Å; Y118-Y120 VanDerWaalsContact OH-CE2 3.26Å; Y118-Y120 WeakPolarHBondContact OH-CE2 3.35Å; Y118-Y120 VanDerWaalsContact OH-CZ 3.3Å; Y118-Y120 PolarHBondContact OH-OH 2.77Å; Y120-V124 WeakPolarHBondContact CA-O 3.47Å; Y120-A125 HydrophobicContact CD1-CB 3.84Å; Y120-A125 HydrophobicContact CE1-CB 3.57Å; Y120-A125 HydrophobicContact CE2-CB 4.27Å; Y120-A125 HydrophobicContact CG-CB 4.32Å |
| 121 | L | 88.1 | Confident | 87.7 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 96.1 | 173.4 | -157.4 | 163.5 | 0 | 0 | 0 | 107 | R47 A68 L72 F119 Q123 V124 I126 | R47-L121 HydrophobicContact CB-CD2 3.52Å; R47-L121 HydrophobicContact CG-CD2 3.75Å; A68-L121 HydrophobicContact CB-CD1 4Å; L72-L121 HydrophobicContact CD1-CB 4.29Å; L72-L121 HydrophobicContact CD1-CD1 3.79Å; L72-L121 HydrophobicContact CD1-CD2 3.51Å; L72-L121 HydrophobicContact CD1-CG 4.06Å; F119-L121 HydrophobicContact CD2-CB 4.38Å; F119-L121 HydrophobicContact CE2-CB 4.24Å; F119-L121 HydrophobicContact CE2-CD1 4.1Å; L121-Q123 PolarHBondContact O-N 3.43Å; L121-V124 PolarHBondContact N-O 3.36Å; L121-V124 PolarHBondContact O-N 3.4Å; L121-I126 HydrophobicContact CB-CD1 4.34Å |
| 122 | G | 85.9 | Confident | 86.9 | Confident | 46 Ų | 46 | 40.5 Ų | 40.5 | 47% | 0.474 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | -113.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 123 | Q | 83.1 | Confident | 87.1 | Confident | 130 Ų | 130 | 39.5 Ų | 39.5 | 61% | 0.607 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 1 | 179.9 | -62.2 | -177 | 8.1 | 0 | 0 | 113.6 | L121 | L121-Q123 PolarHBondContact O-N 3.43Š|
| 124 | V | 86.8 | Confident | 87.4 | Confident | 12 Ų | 12 | 37.3 Ų | 37.3 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.3 | -177.5 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | V101 Y120 L121 I126 | V101-V124 HydrophobicContact CG1-CG1 3.38Å; Y120-V124 WeakPolarHBondContact CA-O 3.47Å; L121-V124 PolarHBondContact N-O 3.36Å; L121-V124 PolarHBondContact O-N 3.4Å; V124-I126 HydrophobicContact CG1-CG1 4.4Å |
| 125 | A | 90 | Very high | 87.5 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 143.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | V101 G102 F105 Y118 Y120 | V101-A125 WeakPolarHBondContact CA-O 3.31Å; G102-A125 PolarHBondContact N-O 3.27Å; G102-A125 WeakPolarHBondContact O-CA 3.32Å; G102-A125 WeakPolarHBondContact O-CB 2.98Å; G102-A125 PolarHBondContact O-N 2.77Å; F105-A125 HydrophobicContact CD1-CB 4.24Å; F105-A125 HydrophobicContact CE1-CB 3.34Å; F105-A125 WeakPolarHBondContact CE1-O 3.5Å; F105-A125 HydrophobicContact CZ-CB 3.7Å; Y118-A125 HydrophobicContact CE2-CB 4.06Å; Y120-A125 HydrophobicContact CD1-CB 3.84Å; Y120-A125 HydrophobicContact CE1-CB 3.57Å; Y120-A125 HydrophobicContact CE2-CB 4.27Å; Y120-A125 HydrophobicContact CG-CB 4.32Å |
| 126 | I | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.3 | 179.5 | -57.2 | -179.9 | 0 | 0 | 0 | 107 | A68 I85 I100 V101 F119 L121 V124 | A68-I126 HydrophobicContact CB-CD1 3.53Å; I85-I126 HydrophobicContact CD1-CG2 4.23Å; I100-I126 WeakPolarHBondContact O-CA 3.33Å; V101-I126 HydrophobicContact CG1-CG1 4.33Å; V101-I126 HydrophobicContact CG2-CG1 4.27Å; V101-I126 HydrophobicContact CG2-CG2 4.31Å; F119-I126 HydrophobicContact CD1-CB 4.31Å; F119-I126 HydrophobicContact CE1-CB 3.88Å; F119-I126 HydrophobicContact CE1-CG2 3.74Å; F119-I126 HydrophobicContact CE2-CB 4.1Å; F119-I126 HydrophobicContact CE2-CD1 3.87Å; F119-I126 HydrophobicContact CE2-CG1 4.4Å; F119-I126 HydrophobicContact CZ-CB 3.78Å; F119-I126 HydrophobicContact CZ-CD1 3.93Å; F119-I126 HydrophobicContact CZ-CG1 4.39Å; F119-I126 HydrophobicContact CZ-CG2 3.75Å; F119-I126 PolarHBondContact N-O 2.88Å; F119-I126 PolarHBondContact O-N 3.36Å; L121-I126 HydrophobicContact CB-CD1 4.34Å; V124-I126 HydrophobicContact CG1-CG1 4.4Å |
| 127 | L | 91.4 | Very high | 87.3 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.5 | 175.8 | 179.7 | 71.2 | 0 | 0 | 0 | 108.2 | C99 I100 F105 S107 V109 F116 Y118 F129 | C99-L127 CarbonylContact C-O 3.5Å; C99-L127 WeakPolarHBondContact CA-O 3.31Å; I100-L127 HydrophobicContact CB-CB 4.33Å; I100-L127 HydrophobicContact CD1-CD2 4.35Å; I100-L127 PolarHBondContact N-O 3.18Å; I100-L127 PolarHBondContact O-N 2.94Å; F105-L127 HydrophobicContact CE2-CB 3.78Å; F105-L127 HydrophobicContact CE2-CD2 4.24Å; F105-L127 HydrophobicContact CZ-CB 3.92Å; S107-L127 WeakPolarHBondContact OG-CD2 3.5Å; V109-L127 HydrophobicContact CG2-CD2 4.32Å; F116-L127 HydrophobicContact CD2-CD1 4.49Å; F116-L127 HydrophobicContact CE2-CD1 3.56Å; F116-L127 HydrophobicContact CZ-CD1 3.57Å; Y118-L127 HydrophobicContact CD2-CB 4.04Å; Y118-L127 HydrophobicContact CD2-CD1 3.8Å; Y118-L127 HydrophobicContact CG-CD1 4.08Å; L127-F129 HydrophobicContact CD2-CD1 4.3Å; L127-F129 HydrophobicContact CD2-CE1 4.43Å; L127-F129 HydrophobicContact CG-CD1 4.2Å |
| 128 | L | 91.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 126 | 178.6 | 176.4 | 71.9 | 0 | 0 | 0 | 108.4 | A64 I85 F89 W97 H98 C99 I117 | A64-L128 HydrophobicContact CB-CD2 4.38Å; I85-L128 HydrophobicContact CG2-CD1 4.15Å; I85-L128 HydrophobicContact CG2-CD2 4.19Å; F89-L128 HydrophobicContact CD1-CD2 3.72Å; F89-L128 HydrophobicContact CD2-CD2 3.95Å; F89-L128 HydrophobicContact CE1-CD2 3.72Å; F89-L128 HydrophobicContact CE2-CD2 3.95Å; F89-L128 HydrophobicContact CG-CD2 3.85Å; F89-L128 HydrophobicContact CZ-CD2 3.85Å; W97-L128 HydrophobicContact CB-CD1 4.44Å; W97-L128 HydrophobicContact CE3-CD1 3.79Å; W97-L128 HydrophobicContact CE3-CD2 4.19Å; W97-L128 HydrophobicContact CE3-CG 3.73Å; W97-L128 HydrophobicContact CZ3-CD2 4.17Å; W97-L128 HydrophobicContact CZ3-CG 3.94Å; H98-L128 WeakPolarHBondContact O-CA 3.3Å; C99-L128 HydrophobicContact CB-CD1 3.92Å; I117-L128 HydrophobicContact CG2-CB 3.72Å; I117-L128 HydrophobicContact CG2-CD2 4.1Å; I117-L128 HydrophobicContact CG2-CG 4.32Å; I117-L128 PolarHBondContact N-O 3.41Å; I117-L128 PolarHBondContact O-N 3.21Å |
| 129 | F | 90.8 | Very high | 86.6 | Confident | 16 Ų | 16 | 34.4 Ų | 34.4 | 7% | 0.07 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 151.9 | -180 | 66.4 | -83.5 | 0 | 0 | 0 | 111.1 | H98 I100 V109 H111 H115 F116 L127 | H98-F129 HydrophobicContact CB-CD1 4.09Å; H98-F129 HydrophobicContact CB-CD2 4.13Å; H98-F129 HydrophobicContact CB-CE1 3.63Å; H98-F129 HydrophobicContact CB-CE2 3.67Å; H98-F129 HydrophobicContact CB-CG 4.33Å; H98-F129 HydrophobicContact CB-CZ 3.39Å; H98-F129 AromaticContact CG-CE2 3.95Å; H98-F129 AromaticContact CG-CZ 3.97Å; H98-F129 PolarHBondContact N-O 2.81Å; H98-F129 PolarHBondContact O-N 2.83Å; I100-F129 HydrophobicContact CD1-CE1 4.23Å; V109-F129 HydrophobicContact CB-CD2 4.32Å; V109-F129 HydrophobicContact CB-CE1 4.17Å; V109-F129 HydrophobicContact CB-CE2 3.96Å; V109-F129 HydrophobicContact CB-CZ 3.87Å; V109-F129 HydrophobicContact CG1-CE1 3.87Å; V109-F129 HydrophobicContact CG1-CE2 4.24Å; V109-F129 HydrophobicContact CG1-CZ 3.65Å; V109-F129 HydrophobicContact CG2-CD1 3.98Å; V109-F129 HydrophobicContact CG2-CD2 4.25Å; V109-F129 HydrophobicContact CG2-CE1 4.07Å; V109-F129 HydrophobicContact CG2-CE2 4.33Å; V109-F129 HydrophobicContact CG2-CG 4.08Å; V109-F129 HydrophobicContact CG2-CZ 4.24Å; H111-F129 HydrophobicContact CB-CB 3.93Å; H111-F129 HydrophobicContact CB-CD2 4.29Å; H115-F129 WeakPolarHBondContact O-CA 3.33Å; F116-F129 HydrophobicContact CD2-CB 3.88Å; L127-F129 HydrophobicContact CD2-CD1 4.3Å; L127-F129 HydrophobicContact CD2-CE1 4.43Å; L127-F129 HydrophobicContact CG-CD1 4.2Å |
| 130 | K | 88.6 | Confident | 86.2 | Confident | 31 Ų | 31 | 36.8 Ų | 36.8 | 14% | 0.135 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 135.3 | 171.5 | -167.3 | -179.2 | 170.5 | -134.5 | 0 | 110.2 | W97 H111 E112 H115 | W97-K130 HydrophobicContact CD2-CB 4.13Å; W97-K130 HydrophobicContact CD2-CG 4.47Å; W97-K130 HydrophobicContact CE3-CB 4.12Å; W97-K130 HydrophobicContact CH2-CB 4.43Å; W97-K130 HydrophobicContact CZ2-CB 4.4Å; W97-K130 HydrophobicContact CZ2-CD 4.34Å; W97-K130 HydrophobicContact CZ3-CB 4.28Å; H111-K130 WeakPolarHBondContact CA-O 3.35Å; E112-K130 PolarHBondContact N-O 2.94Å; E112-K130 IonicContact OE1-NZ 2.77Å; E112-K130 PolarHBondContact OE1-NZ 3.39Å; E112-K130 IonicContact OE2-NZ 2.72Å; E112-K130 PolarHBondContact OE2-NZ 2.93Å; H115-K130 HydrophobicContact CB-CB 3.57Å; H115-K130 HydrophobicContact CB-CD 4.31Å; H115-K130 PolarHBondContact O-N 3.49Å |
| 131 | S | 80.4 | Confident | 85.9 | Confident | 41 Ų | 41 | 33.9 Ų | 33.9 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | trans | -139.6 | 127.9 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | T96 | T96-S131 PolarHBondContact O-N 2.6Å; T96-S131 PolarHBondContact OG1-O 2.84Å | ||
| 132 | G | 63.5 | Low | 85.7 | Confident | 118 Ų | 118 | 36.5 Ų | 36.5 | 100% | 1.216 | 26% | 0.264 | S | S | * | . | trans | -166.2 | 0 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 132 of 132 residues in 864.4 ms
(Link to these results)