| 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 | 54.1 | Low | 50.3 | Low | 253 Ų | 253 | 130.7 Ų | 130.7 | 100% | 1.246 | 86% | 0.859 | S | S | * | * | 0 | 105.8 | 0 | -76.7 | 147.7 | 81.3 | 0 | 0 | 107.9 | |||||
| 2 | G | 48.4 | Very low | 50.3 | Low | 82 Ų | 82 | 140.6 Ų | 140.6 | 85% | 0.845 | 87% | 0.866 | S | S | * | * | trans | -164.1 | 111.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3 | G | 40.9 | Very low | 50.8 | Low | 76 Ų | 76 | 139.7 Ų | 139.7 | 78% | 0.784 | 86% | 0.864 | S | S | * | * | trans | -103.9 | -161.4 | -159.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 4 | S | 44.7 | Very low | 50.2 | Low | 129 Ų | 129 | 144.1 Ų | 144.1 | 90% | 0.902 | 87% | 0.865 | S | S | * | * | trans | 75.5 | 107.3 | 166.7 | -75.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 5 | G | 48.3 | Very low | 49.8 | Very low | 72 Ų | 72 | 141.1 Ų | 141.1 | 74% | 0.742 | 86% | 0.862 | S | S | * | * | trans | -77.8 | 171.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 6 | S | 52.2 | Low | 49.5 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 86% | 0.86 | 85% | 0.852 | S | S | * | * | trans | -152.8 | 104.6 | 163.8 | -80.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 7 | K | 55.9 | Low | 49.1 | Very low | 209 Ų | 209 | 136.3 Ų | 136.3 | 91% | 0.909 | 86% | 0.856 | S | S | * | * | trans | -97.8 | 100.1 | 159.2 | -76.6 | -174.3 | 174.3 | 175.6 | 0 | 106.3 | ||||
| 8 | V | 53.5 | Low | 48.5 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | trans | -100.8 | 106.6 | 165.5 | 62.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 9 | K | 54.5 | Low | 48.2 | Very low | 196 Ų | 196 | 131.9 Ų | 131.9 | 85% | 0.852 | 86% | 0.857 | S | S | * | * | trans | -79.3 | 111.9 | 164.6 | -72.2 | -179.4 | 173.1 | -176.3 | 0 | 106.1 | A11 | K9-A11 PolarHBondContact O-N 3.45Å; K9-A11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | G | 46.2 | Very low | 47.4 | Very low | 69 Ų | 69 | 129.6 Ų | 129.6 | 71% | 0.711 | 86% | 0.858 | S | S | * | * | trans | -64.8 | 110.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 11 | A | 54.2 | Low | 46.8 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 78% | 0.777 | 86% | 0.857 | S | S | * | * | trans | -88 | 126.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | K9 | K9-A11 PolarHBondContact O-N 3.45Å; K9-A11 VanDerWaalsContact O-N 3.16Å | ||
| 12 | W | 50.7 | Low | 46.1 | Very low | 249 Ų | 249 | 122.7 Ų | 122.7 | 94% | 0.943 | 84% | 0.837 | S | S | * | * | trans | -72.9 | 130.7 | 176.2 | -76 | 48.8 | 0 | 0 | 0 | 110 | F14 | W12-F14 PolarHBondContact O-N 2.96Š| ||
| 13 | P | 56.9 | Low | 45.6 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | trans | -93 | 83.6 | -178.6 | 35.6 | -31.1 | 0 | 0 | 0 | 110.3 | ||||
| 14 | F | 42 | Very low | 45.3 | Very low | 201 Ų | 201 | 123.8 Ų | 123.8 | 88% | 0.882 | 83% | 0.831 | S | S | * | * | trans | -132.3 | 71 | 154 | -152 | -90.6 | 0 | 0 | 0 | 109 | W12 | W12-F14 PolarHBondContact O-N 2.96Š| ||
| 15 | A | 45.3 | Very low | 44.9 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -87.8 | 106.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 16 | G | 44.9 | Very low | 44.2 | Very low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | trans | -71.5 | 133.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 17 | S | 42.9 | Very low | 43.6 | Very low | 132 Ų | 132 | 128 Ų | 128 | 92% | 0.923 | 84% | 0.839 | S | S | * | * | trans | -145 | 138.2 | 165 | -115.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 18 | G | 37.8 | Very low | 42.6 | Very low | 76 Ų | 76 | 126.8 Ų | 126.8 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | trans | -104.4 | -174.4 | -162.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 19 | A | 41.7 | Very low | 42.3 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 93% | 0.934 | 84% | 0.836 | S | S | * | * | trans | 62.7 | 136.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 20 | G | 33.1 | Very low | 42 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | trans | 108 | 133.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 21 | G | 34.6 | Very low | 42.2 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | cis | -179.9 | 160.1 | 4.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 22 | D | 39.2 | Very low | 41.5 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | trans | -67.4 | 149.4 | -172.1 | 168.9 | 46.8 | 0 | 0 | 0 | 115.9 | ||||
| 23 | S | 39.1 | Very low | 41.5 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -177.9 | 128.1 | 139.3 | 23.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 24 | G | 34.7 | Very low | 40.8 | Very low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | trans | -89.5 | 169 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 25 | S | 34.8 | Very low | 41.4 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | -165.5 | 146.5 | 144 | -81.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 26 | E | 34 | Very low | 41.5 | Very low | 202 Ų | 202 | 129.8 Ų | 129.8 | 94% | 0.944 | 81% | 0.814 | S | S | * | * | trans | -86.6 | 149.8 | -160 | -52.8 | 175 | 136.9 | 0 | 0 | 112.7 | ||||
| 27 | G | 39.4 | Very low | 41.9 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | 111.6 | 76.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 28 | Q | 35.2 | Very low | 42.1 | Very low | 184 Ų | 184 | 132.5 Ų | 132.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -161.1 | 97.8 | 143.2 | -158.1 | 163.5 | -8.6 | 0 | 0 | 110.2 | ||||
| 29 | E | 47.2 | Very low | 43 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | trans | -54.5 | 143.6 | 163.5 | 55.3 | -150.4 | 141.4 | 0 | 0 | 111.2 | ||||
| 30 | D | 47.3 | Very low | 43.7 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 76.2 | 52.9 | 172.9 | -52.2 | -30.1 | 0 | 0 | 0 | 119.5 | ||
| 31 | Q | 52.3 | Low | 44.8 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -165.5 | 78.1 | 152.9 | -116.8 | 166.6 | 83.8 | 0 | 0 | 114.4 | ||||
| 32 | S | 38.1 | Very low | 46.1 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | -152.8 | 82 | 162.8 | 67.7 | 0 | 0 | 0 | 0 | 112.2 | T34 | S32-T34 PolarHBondContact O-N 3.27Š| ||
| 33 | L | 51.1 | Low | 47.5 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 98% | 0.984 | 76% | 0.759 | S | S | * | * | trans | -69.5 | 75.4 | 148 | -70 | 177.2 | 0 | 0 | 0 | 106.6 | R35 | L33-R35 PolarHBondContact O-N 3.22Š| ||
| 34 | T | 42.8 | Very low | 49.3 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 58% | 0.583 | 73% | 0.734 | S | S | * | * | trans | -49.5 | 125.1 | 178.5 | 42.3 | 0 | 0 | 0 | 0 | 108.8 | S32 L36 | S32-T34 PolarHBondContact O-N 3.27Å; T34-L36 VanDerWaalsContact C-N 3.27Å; T34-L36 PolarHBondContact O-N 3Å | ||
| 35 | R | 53.9 | Low | 51.6 | Low | 244 Ų | 244 | 138.1 Ų | 138.1 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | trans | -53.4 | 88.8 | 170.6 | -160.3 | -178.3 | -146.4 | 177.2 | 5.5 | 108.4 | L33 K37 | L33-R35 PolarHBondContact O-N 3.22Å; R35-K37 PolarHBondContact O-N 2.8Å | ||
| 36 | L | 48.3 | Very low | 54 | Low | 103 Ų | 103 | 134.4 Ų | 134.4 | 54% | 0.539 | 69% | 0.693 | S | S | . | * | trans | -71 | 80.9 | 177.3 | -73.6 | 167 | 0 | 0 | 0 | 108.6 | T34 G38 | T34-L36 VanDerWaalsContact C-N 3.27Å; T34-L36 PolarHBondContact O-N 3Å; L36-G38 PolarHBondContact O-N 3.46Å | ||
| 37 | K | 51.8 | Low | 56.5 | Low | 215 Ų | 215 | 130.3 Ų | 130.3 | 94% | 0.935 | 67% | 0.672 | S | S | * | * | trans | -72.1 | 75.5 | 160.5 | -168 | 173.7 | -177.9 | -175.9 | 0 | 107.1 | R35 | R35-K37 PolarHBondContact O-N 2.8Š| ||
| 38 | G | 46.9 | Very low | 58.9 | Low | 42 Ų | 42 | 129.8 Ų | 129.8 | 43% | 0.433 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -139.3 | 129.5 | 169 | 0 | 0 | 0 | 0 | 0 | 106 | L36 R40 | L36-G38 PolarHBondContact O-N 3.46Å; G38-R40 PolarHBondContact O-N 3.28Å |
| 39 | T | 57.7 | Low | 61.5 | Low | 154 Ų | 154 | 126.6 Ų | 126.6 | 95% | 0.945 | 63% | 0.633 | S | S | * | * | trans | -60.6 | 71.8 | 162.2 | 43.3 | 0 | 0 | 0 | 0 | 107.7 | K41 | T39-K41 PolarHBondContact O-N 3.41Š| ||
| 40 | R | 56 | Low | 63.4 | Low | 168 Ų | 168 | 128.8 Ų | 128.8 | 63% | 0.634 | 63% | 0.634 | S | S | * | * | trans | -64.8 | 136.7 | 174.7 | -73.3 | -173.5 | -81.4 | 174.4 | -3.4 | 105.3 | G38 A42 | G38-R40 PolarHBondContact O-N 3.28Å; R40-A42 PolarHBondContact O-N 2.97Å | ||
| 41 | K | 56.2 | Low | 65.4 | Low | 209 Ų | 209 | 122.4 Ų | 122.4 | 91% | 0.909 | 60% | 0.601 | S | S | * | * | trans | -54 | 72.1 | 167.1 | -61.5 | 171.6 | 178.2 | 179.5 | 0 | 109 | T39 T43 | T39-K41 PolarHBondContact O-N 3.41Å; K41-T43 PolarHBondContact O-N 2.81Å | ||
| 42 | A | 62.3 | Low | 67.2 | Low | 38 Ų | 38 | 116.5 Ų | 116.5 | 31% | 0.314 | 58% | 0.581 | S | S | . | * | trans | -73.3 | 121.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | R40 F105 | R40-A42 PolarHBondContact O-N 2.97Å; A42-F105 HydrophobicContact CB-CE2 3.67Å; A42-F105 HydrophobicContact CB-CZ 3.89Å; A42-F105 WeakPolarHBondContact O-CZ 2.82Å | ||
| 43 | T | 68.4 | Low | 69.8 | Low | 91 Ų | 91 | 113.7 Ų | 113.7 | 56% | 0.558 | 56% | 0.559 | S | S | * | * | trans | -62.3 | 137.1 | 171.7 | 49.6 | 0 | 0 | 0 | 0 | 107.5 | K41 F45 | K41-T43 PolarHBondContact O-N 2.81Å; T43-F45 PolarHBondContact O-N 3.29Å; T43-F45 PolarHBondContact OG1-O 3.12Å; T43-F45 VanDerWaalsContact OG1-O 3.06Å | ||
| 44 | P | 77.6 | Confident | 71.8 | Confident | 45 Ų | 45 | 109.1 Ų | 109.1 | 29% | 0.292 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -58.6 | -22.1 | 178.4 | 24 | -33.5 | 0 | 0 | 0 | 111.2 | I101 H102 F105 | P44-I101 CarbonylContact O-C 3.44Å; P44-I101 VanDerWaalsContact O-CA 3.23Å; P44-I101 WeakPolarHBondContact O-CA 3.37Å; P44-H102 PolarHBondContact O-N 3.27Å; P44-F105 HydrophobicContact CB-CB 4.35Å; P44-F105 HydrophobicContact CB-CD1 4.39Å; P44-F105 HydrophobicContact CB-CG 4.25Å |
| 45 | F | 82.1 | Confident | 74.3 | Confident | 107 Ų | 107 | 108.8 Ų | 108.8 | 47% | 0.469 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 124 | 176.4 | -56.9 | -63.6 | 0 | 0 | 0 | 112.8 | T43 F47 P99 R100 | T43-F45 PolarHBondContact O-N 3.29Å; T43-F45 PolarHBondContact OG1-O 3.12Å; T43-F45 VanDerWaalsContact OG1-O 3.06Å; F45-F47 HydrophobicContact CB-CD2 4.43Å; F45-F47 HydrophobicContact CB-CE2 3.68Å; F45-F47 HydrophobicContact CB-CZ 3.96Å; F45-P99 HydrophobicContact CB-CB 3.89Å; F45-P99 HydrophobicContact CD1-CB 3.99Å; F45-P99 HydrophobicContact CD1-CG 4.37Å; F45-P99 HydrophobicContact CG-CB 4.24Å; F45-R100 CarbonylContact C-O 3.56Å; F45-R100 WeakPolarHBondContact CA-O 3.42Å |
| 46 | I | 86.3 | Confident | 76.1 | Confident | 51 Ų | 51 | 98.7 Ų | 98.7 | 26% | 0.262 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 118.7 | 169.8 | -60.5 | 175 | 0 | 0 | 0 | 108.2 | T48 L96 P99 R100 H102 | I46-T48 WeakPolarHBondContact CG2-O 3.41Å; I46-L96 HydrophobicContact CG2-CD1 4.35Å; I46-P99 WeakPolarHBondContact O-CA 2.94Å; I46-R100 WeakPolarHBondContact CB-O 3.29Å; I46-R100 PolarHBondContact N-O 3.4Å; I46-R100 PolarHBondContact O-N 3.15Å; I46-H102 HydrophobicContact CD1-CB 3.85Å; I46-H102 HydrophobicContact CG1-CB 3.91Å |
| 47 | F | 85.9 | Confident | 78 | Confident | 116 Ų | 116 | 101 Ų | 101 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -7.5 | 176 | -63.9 | -88.7 | 0 | 0 | 0 | 113 | F45 K95 L96 P99 | F45-F47 HydrophobicContact CB-CD2 4.43Å; F45-F47 HydrophobicContact CB-CE2 3.68Å; F45-F47 HydrophobicContact CB-CZ 3.96Å; F47-K95 WeakPolarHBondContact O-CA 3.23Å; F47-L96 PolarHBondContact O-N 2.79Å; F47-P99 HydrophobicContact CD1-CB 3.97Å; F47-P99 HydrophobicContact CE1-CB 3.65Å; F47-P99 HydrophobicContact CE1-CG 4.01Å; F47-P99 HydrophobicContact CZ-CB 3.96Å; F47-P99 HydrophobicContact CZ-CG 4.46Å |
| 48 | T | 89.1 | Confident | 79.8 | Confident | 69 Ų | 69 | 97.7 Ų | 97.7 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 136.7 | -175.2 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | I46 I93 V94 K95 | I46-T48 WeakPolarHBondContact CG2-O 3.41Å; T48-I93 HydrophobicContact CG2-CG2 4.01Å; T48-V94 CarbonylContact C-O 3.6Å; T48-V94 VanDerWaalsContact CA-O 3.3Å; T48-V94 WeakPolarHBondContact CA-O 3.47Å; T48-K95 HydrophobicContact CG2-CG 4.32Å |
| 49 | R | 89.3 | Confident | 81.8 | Confident | 116 Ų | 116 | 97.9 Ų | 97.9 | 44% | 0.438 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 143 | 174.7 | -164.4 | -169.8 | 92.3 | -170.8 | 6.1 | 110.2 | S51 V94 L96 | R49-S51 PolarHBondContact O-N 2.85Å; R49-V94 PolarHBondContact N-O 2.97Å; R49-V94 PolarHBondContact O-N 2.63Å; R49-L96 HydrophobicContact CB-CD1 4.37Å; R49-L96 HydrophobicContact CB-CD2 4.01Å; R49-L96 HydrophobicContact CB-CG 4.32Å |
| 50 | R | 88.4 | Confident | 83.5 | Confident | 220 Ų | 220 | 95.6 Ų | 95.6 | 83% | 0.83 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 123.2 | 164.4 | -167.3 | 171.9 | 179.3 | 157.6 | 0.1 | 109 | ||
| 51 | S | 88.9 | Confident | 85.3 | Confident | 15 Ų | 15 | 91 Ų | 91 | 11% | 0.105 | 45% | 0.454 | C | S | . | . | trans | -90.2 | 154.7 | 174.5 | 80.8 | 0 | 0 | 0 | 0 | 111 | R49 Q91 G92 | R49-S51 PolarHBondContact O-N 2.85Å; S51-Q91 WeakPolarHBondContact OG-CB 3.37Å; S51-Q91 PolarHBondContact OG-OE1 2.78Å; S51-G92 PolarHBondContact N-O 2.96Å; S51-G92 PolarHBondContact OG-O 3.01Å | ||
| 52 | S | 89.6 | Confident | 87.1 | Confident | 67 Ų | 67 | 82.5 Ų | 82.5 | 47% | 0.469 | 42% | 0.422 | S | S | . | . | trans | -105.3 | 18.1 | 171.1 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | H63 | S52-H63 PolarHBondContact O-ND1 3.35Å; S52-H63 PolarHBondContact OG-CE1 2.87Å; S52-H63 PolarHBondContact OG-ND1 3.42Å; S52-H63 VanDerWaalsContact OG-ND1 3.11Å | ||
| 53 | L | 93.1 | Very high | 88.6 | Confident | 35 Ų | 35 | 85.5 Ų | 85.5 | 18% | 0.183 | 43% | 0.43 | C | S | . | . | trans | -95.9 | 151.5 | -179.7 | -66.9 | 164.4 | 0 | 0 | 0 | 109.7 | L61 A62 H63 Q91 | L53-L61 HydrophobicContact CB-CD1 3.58Å; L53-L61 HydrophobicContact CB-CG 3.95Å; L53-L61 HydrophobicContact CD1-CD1 4.48Å; L53-L61 HydrophobicContact CD1-CD2 3.88Å; L53-L61 HydrophobicContact CD1-CG 4.06Å; L53-L61 HydrophobicContact CD2-CG 4.37Å; L53-L61 HydrophobicContact CG-CD1 4.5Å; L53-L61 HydrophobicContact CG-CG 4.35Å; L53-A62 CarbonylContact C-O 3.59Å; L53-A62 WeakPolarHBondContact CA-O 3.25Å; L53-H63 WeakPolarHBondContact CD2-CE1 3.37Å; L53-H63 WeakPolarHBondContact CD2-ND1 3.26Å; L53-Q91 HydrophobicContact CB-CB 4.3Å; L53-Q91 WeakPolarHBondContact O-CB 3.48Å; L53-Q91 PolarHBondContact O-N 2.79Å | ||
| 54 | Y | 94 | Very high | 89.6 | Confident | 92 Ų | 92 | 85 Ų | 85 | 36% | 0.361 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.4 | 178.6 | -63.2 | -96.5 | 0 | 0 | 0 | 109.6 | L61 A62 F65 L88 I89 P90 | Y54-L61 WeakPolarHBondContact O-CA 3.41Å; Y54-A62 PolarHBondContact N-O 2.79Å; Y54-A62 PolarHBondContact O-N 2.88Å; Y54-F65 VanDerWaalsContact O-CE2 3.26Å; Y54-F65 WeakPolarHBondContact O-CE2 3.1Å; Y54-F65 WeakPolarHBondContact O-CZ 3.44Å; Y54-L88 HydrophobicContact CD1-CB 3.97Å; Y54-L88 HydrophobicContact CG-CB 4.27Å; Y54-I89 CarbonylContact C-O 3.54Å; Y54-I89 VanDerWaalsContact CA-O 3.28Å; Y54-I89 WeakPolarHBondContact CA-O 3Å; Y54-P90 HydrophobicContact CD1-CB 3.95Å; Y54-P90 HydrophobicContact CE1-CB 3.77Å |
| 55 | Y | 93.8 | Very high | 90.3 | Very high | 88 Ų | 88 | 83.9 Ų | 83.9 | 35% | 0.345 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 136.4 | 165.4 | -64.7 | -80.4 | 0 | 0 | 0 | 109.4 | D60 L61 L88 I89 Q91 | Y55-D60 VanDerWaalsContact CA-O 3.25Å; Y55-D60 WeakPolarHBondContact CA-O 3.32Å; Y55-L61 HydrophobicContact CD1-CB 4.29Å; Y55-L61 HydrophobicContact CD1-CD1 3.95Å; Y55-L61 HydrophobicContact CD2-CD1 4.12Å; Y55-L61 HydrophobicContact CE1-CB 4.07Å; Y55-L61 HydrophobicContact CE1-CD1 3.73Å; Y55-L61 HydrophobicContact CE1-CG 4.32Å; Y55-L61 HydrophobicContact CE2-CD1 3.9Å; Y55-L61 HydrophobicContact CG-CD1 4.15Å; Y55-L88 CarbonylContact O-C 3.51Å; Y55-L88 WeakPolarHBondContact O-CA 3.26Å; Y55-I89 PolarHBondContact N-O 2.73Å; Y55-I89 PolarHBondContact O-N 3.06Å; Y55-Q91 HydrophobicContact CD2-CB 4.35Å; Y55-Q91 HydrophobicContact CE2-CB 3.87Å; Y55-Q91 HydrophobicContact CE2-CG 3.95Å |
| 56 | D | 91.7 | Very high | 90.8 | Very high | 32 Ų | 32 | 84.4 Ų | 84.4 | 17% | 0.171 | 41% | 0.411 | C | S | . | . | trans | -90.8 | -171.2 | 167 | 68.9 | 1.7 | 0 | 0 | 0 | 112 | D58 G59 D60 F65 L88 | D56-D58 PolarHBondContact O-N 2.85Å; D56-D58 PolarHBondContact OD1-N 3.19Å; D56-D58 VanDerWaalsContact OD1-N 3.12Å; D56-G59 PolarHBondContact O-N 2.85Å; D56-G59 PolarHBondContact OD1-N 3.47Å; D56-D60 PolarHBondContact N-O 2.85Å; D56-D60 PolarHBondContact OD1-N 2.83Å; D56-F65 HydrophobicContact CB-CD1 3.69Å; D56-F65 HydrophobicContact CB-CD2 4.44Å; D56-F65 HydrophobicContact CB-CE1 3.5Å; D56-F65 HydrophobicContact CB-CE2 4.26Å; D56-F65 HydrophobicContact CB-CG 4.17Å; D56-F65 HydrophobicContact CB-CZ 3.8Å; D56-F65 WeakPolarHBondContact OD2-CD1 3.26Å; D56-F65 WeakPolarHBondContact OD2-CE1 3.38Å; D56-L88 HydrophobicContact CB-CD2 3.85Å | ||
| 57 | E | 88.4 | Confident | 90.9 | Very high | 151 Ų | 151 | 87.5 Ų | 87.5 | 71% | 0.706 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -26 | -178.8 | -62.5 | -176.4 | 177.9 | 0 | 0 | 112.4 | N87 | E57-N87 HydrophobicContact CG-CB 4.39Å; E57-N87 WeakPolarHBondContact OE1-CB 3.44Å; E57-N87 PolarHBondContact OE1-ND2 3.04Å |
| 58 | D | 89.5 | Confident | 91 | Very high | 146 Ų | 146 | 87.6 Ų | 87.6 | 78% | 0.781 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -8.7 | 179.8 | -64.4 | -42.5 | 0 | 0 | 0 | 112.4 | D56 | D56-D58 PolarHBondContact O-N 2.85Å; D56-D58 PolarHBondContact OD1-N 3.19Å; D56-D58 VanDerWaalsContact OD1-N 3.12Å |
| 59 | G | 90.3 | Very high | 90.7 | Very high | 45 Ų | 45 | 85.5 Ų | 85.5 | 46% | 0.464 | 41% | 0.414 | S | S | . | . | trans | 87.8 | 11.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D56 | D56-G59 PolarHBondContact O-N 2.85Å; D56-G59 PolarHBondContact OD1-N 3.47Å | ||
| 60 | D | 92.9 | Very high | 90.3 | Very high | 106 Ų | 106 | 85.9 Ų | 85.9 | 57% | 0.567 | 42% | 0.424 | S | S | * | . | trans | -71.2 | 145 | 173.9 | -79.3 | -15.7 | 0 | 0 | 0 | 110.2 | Y55 D56 F65 | Y55-D60 VanDerWaalsContact CA-O 3.25Å; Y55-D60 WeakPolarHBondContact CA-O 3.32Å; D56-D60 PolarHBondContact N-O 2.85Å; D56-D60 PolarHBondContact OD1-N 2.83Å; D60-F65 HydrophobicContact CB-CE1 4.03Å; D60-F65 VanDerWaalsContact O-CZ 3.26Å; D60-F65 WeakPolarHBondContact O-CZ 3.28Å | ||
| 61 | L | 93.1 | Very high | 89.7 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 38% | 0.382 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 109.7 | -176.5 | -174.1 | 68.8 | 0 | 0 | 0 | 110.7 | L53 Y54 Y55 Q91 | L53-L61 HydrophobicContact CB-CD1 3.58Å; L53-L61 HydrophobicContact CB-CG 3.95Å; L53-L61 HydrophobicContact CD1-CD1 4.48Å; L53-L61 HydrophobicContact CD1-CD2 3.88Å; L53-L61 HydrophobicContact CD1-CG 4.06Å; L53-L61 HydrophobicContact CD2-CG 4.37Å; L53-L61 HydrophobicContact CG-CD1 4.5Å; L53-L61 HydrophobicContact CG-CG 4.35Å; Y54-L61 WeakPolarHBondContact O-CA 3.41Å; Y55-L61 HydrophobicContact CD1-CB 4.29Å; Y55-L61 HydrophobicContact CD1-CD1 3.95Å; Y55-L61 HydrophobicContact CD2-CD1 4.12Å; Y55-L61 HydrophobicContact CE1-CB 4.07Å; Y55-L61 HydrophobicContact CE1-CD1 3.73Å; Y55-L61 HydrophobicContact CE1-CG 4.32Å; Y55-L61 HydrophobicContact CE2-CD1 3.9Å; Y55-L61 HydrophobicContact CG-CD1 4.15Å; L61-Q91 HydrophobicContact CD1-CB 4.07Å; L61-Q91 HydrophobicContact CD1-CG 4.39Å |
| 62 | A | 94.1 | Very high | 89.1 | Confident | 29 Ų | 29 | 81.4 Ų | 81.4 | 24% | 0.24 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 164.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | L53 Y54 E64 F65 | L53-A62 CarbonylContact C-O 3.59Å; L53-A62 WeakPolarHBondContact CA-O 3.25Å; Y54-A62 PolarHBondContact N-O 2.79Å; Y54-A62 PolarHBondContact O-N 2.88Å; A62-E64 VanDerWaalsContact C-N 3.35Å; A62-F65 HydrophobicContact CB-CD2 4.44Å; A62-F65 HydrophobicContact CB-CE1 3.94Å; A62-F65 HydrophobicContact CB-CE2 3.84Å; A62-F65 HydrophobicContact CB-CZ 3.56Å |
| 63 | H | 93.2 | Very high | 88.4 | Confident | 101 Ų | 101 | 85.4 Ų | 85.4 | 47% | 0.468 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -73.9 | -31.5 | 172.2 | -74.4 | -49.2 | 0 | 0 | 0 | 111.9 | S52 L53 | S52-H63 PolarHBondContact O-ND1 3.35Å; S52-H63 PolarHBondContact OG-CE1 2.87Å; S52-H63 PolarHBondContact OG-ND1 3.42Å; S52-H63 VanDerWaalsContact OG-ND1 3.11Å; L53-H63 WeakPolarHBondContact CD2-CE1 3.37Å; L53-H63 WeakPolarHBondContact CD2-ND1 3.26Å |
| 64 | E | 91.1 | Very high | 87.3 | Confident | 80 Ų | 80 | 91.9 Ų | 91.9 | 37% | 0.374 | 46% | 0.464 | S | S | . | . | trans | -150.1 | 138.9 | -174.4 | -51.1 | -168 | 156.2 | 0 | 0 | 109.8 | A62 Y66 R83 | A62-E64 VanDerWaalsContact C-N 3.35Å; E64-Y66 HydrophobicContact CB-CE2 3.79Å; E64-Y66 PolarHBondContact OE2-OH 2.83Å; E64-R83 VanDerWaalsContact CD-NH1 3.28Å; E64-R83 VanDerWaalsContact CD-NH2 3.29Å; E64-R83 IonicContact OE1-CZ 3.11Å; E64-R83 IonicContact OE1-NH1 2.8Å; E64-R83 PolarHBondContact OE1-NH1 2.81Å; E64-R83 IonicContact OE1-NH2 2.87Å; E64-R83 PolarHBondContact OE1-NH2 3.39Å; E64-R83 IonicContact OE2-CZ 3.74Å; E64-R83 IonicContact OE2-NH1 3.46Å; E64-R83 PolarHBondContact OE2-NH1 3.49Å | ||
| 65 | F | 92.6 | Very high | 86.6 | Confident | 23 Ų | 23 | 91.3 Ų | 91.3 | 10% | 0.101 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 142.8 | 176.2 | -68.4 | -90.4 | 0 | 0 | 0 | 110.3 | Y54 D56 D60 A62 R83 I84 L88 | Y54-F65 VanDerWaalsContact O-CE2 3.26Å; Y54-F65 WeakPolarHBondContact O-CE2 3.1Å; Y54-F65 WeakPolarHBondContact O-CZ 3.44Å; D56-F65 HydrophobicContact CB-CD1 3.69Å; D56-F65 HydrophobicContact CB-CD2 4.44Å; D56-F65 HydrophobicContact CB-CE1 3.5Å; D56-F65 HydrophobicContact CB-CE2 4.26Å; D56-F65 HydrophobicContact CB-CG 4.17Å; D56-F65 HydrophobicContact CB-CZ 3.8Å; D56-F65 WeakPolarHBondContact OD2-CD1 3.26Å; D56-F65 WeakPolarHBondContact OD2-CE1 3.38Å; D60-F65 HydrophobicContact CB-CE1 4.03Å; D60-F65 VanDerWaalsContact O-CZ 3.26Å; D60-F65 WeakPolarHBondContact O-CZ 3.28Å; A62-F65 HydrophobicContact CB-CD2 4.44Å; A62-F65 HydrophobicContact CB-CE1 3.94Å; A62-F65 HydrophobicContact CB-CE2 3.84Å; A62-F65 HydrophobicContact CB-CZ 3.56Å; F65-R83 WeakPolarHBondContact O-CA 3.43Å; F65-I84 PolarHBondContact O-N 2.92Å; F65-L88 HydrophobicContact CB-CD1 4.42Å; F65-L88 HydrophobicContact CB-CD2 4.18Å; F65-L88 HydrophobicContact CD2-CD1 3.71Å; F65-L88 HydrophobicContact CD2-CD2 3.35Å; F65-L88 HydrophobicContact CD2-CG 4.17Å; F65-L88 HydrophobicContact CE2-CD2 3.85Å; F65-L88 HydrophobicContact CG-CD1 4.47Å; F65-L88 HydrophobicContact CG-CD2 3.82Å |
| 66 | Y | 92.1 | Very high | 85.7 | Confident | 118 Ų | 118 | 95.8 Ų | 95.8 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131.6 | 178.9 | -67.6 | -96.1 | 0 | 0 | 0 | 109.3 | E64 L81 K82 R83 | E64-Y66 HydrophobicContact CB-CE2 3.79Å; E64-Y66 PolarHBondContact OE2-OH 2.83Å; Y66-L81 HydrophobicContact CD1-CB 4.39Å; Y66-K82 CarbonylContact C-O 3.53Å; Y66-K82 VanDerWaalsContact CA-O 3.26Å; Y66-K82 WeakPolarHBondContact CA-O 3.33Å; Y66-R83 HydrophobicContact CD1-CB 3.96Å; Y66-R83 HydrophobicContact CE1-CB 3.62Å; Y66-R83 HydrophobicContact CE1-CG 4.17Å |
| 67 | E | 87.8 | Confident | 85.3 | Confident | 115 Ų | 115 | 102.2 Ų | 102.2 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 139.5 | 173 | 170.5 | -175.8 | -156 | 0 | 0 | 110.1 | T69 L81 K82 I84 | E67-T69 PolarHBondContact O-N 3.29Å; E67-L81 CarbonylContact O-C 3.6Å; E67-L81 WeakPolarHBondContact O-CA 3.41Å; E67-K82 PolarHBondContact N-O 3.03Å; E67-K82 PolarHBondContact O-N 2.68Å; E67-I84 HydrophobicContact CB-CD1 3.27Å; E67-I84 HydrophobicContact CB-CG1 3.94Å; E67-I84 HydrophobicContact CG-CD1 4.34Å |
| 68 | E | 88.1 | Confident | 84.9 | Confident | 118 Ų | 118 | 102.7 Ų | 102.7 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 115.8 | 173.8 | -171.1 | 177.4 | 177 | 0 | 0 | 110.1 | S79 L81 | E68-S79 WeakPolarHBondContact OE1-CB 3.49Å; E68-L81 HydrophobicContact CB-CD2 4.06Å |
| 69 | T | 83.1 | Confident | 84.6 | Confident | 26 Ų | 26 | 99.5 Ų | 99.5 | 16% | 0.16 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127 | 171.7 | 60.4 | 0 | 0 | 0 | 0 | 110.1 | E67 V71 K80 K82 | E67-T69 PolarHBondContact O-N 3.29Å; T69-V71 PolarHBondContact O-N 2.85Å; T69-K80 PolarHBondContact N-O 2.8Å; T69-K80 PolarHBondContact O-N 2.95Å; T69-K80 PolarHBondContact OG1-O 2.84Å; T69-K82 HydrophobicContact CG2-CB 4.34Å; T69-K82 HydrophobicContact CG2-CD 3.75Å; T69-K82 HydrophobicContact CG2-CG 4.09Å; T69-K82 VanDerWaalsContact OG1-CE 3.29Å; T69-K82 WeakPolarHBondContact OG1-CE 3.3Å |
| 70 | L | 81.1 | Confident | 84.5 | Confident | 124 Ų | 124 | 103.4 Ų | 103.4 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 108.8 | 171.6 | -62.7 | 179.6 | 0 | 0 | 0 | 108.7 | ||
| 71 | V | 76.3 | Confident | 84.4 | Confident | 43 Ų | 43 | 103.8 Ų | 103.8 | 26% | 0.261 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113.5 | 176.4 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | T69 K73 R78 K80 | T69-V71 PolarHBondContact O-N 2.85Å; V71-K73 HydrophobicContact CG1-CG 4.04Å; V71-K73 PolarHBondContact O-N 2.87Å; V71-R78 PolarHBondContact N-O 2.9Å; V71-R78 PolarHBondContact O-N 2.8Å; V71-R78 VanDerWaalsContact O-O 3.13Å; V71-K80 HydrophobicContact CG2-CB 4.09Å |
| 72 | T | 75.5 | Confident | 84.3 | Confident | 98 Ų | 98 | 105.6 Ų | 105.6 | 60% | 0.601 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 111.1 | 170 | 51.8 | 0 | 0 | 0 | 0 | 109 | K77 | T72-K77 HydrophobicContact CG2-CG 3.98Å |
| 73 | K | 74.1 | Confident | 84.2 | Confident | 151 Ų | 151 | 109.9 Ų | 109.9 | 66% | 0.657 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.4 | 166 | -72.5 | -167.8 | 175.2 | -169.1 | 0 | 108.4 | V71 G75 R76 | V71-K73 HydrophobicContact CG1-CG 4.04Å; V71-K73 PolarHBondContact O-N 2.87Å; K73-G75 PolarHBondContact O-N 2.95Å; K73-R76 PolarHBondContact N-O 3.46Å; K73-R76 PolarHBondContact O-N 3.11Å |
| 74 | N | 71.2 | Confident | 84 | Confident | 170 Ų | 170 | 107.4 Ų | 107.4 | 91% | 0.909 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 46.5 | 178.1 | -55.5 | -6.1 | 0 | 0 | 0 | 113.5 | R76 | N74-R76 PolarHBondContact O-N 2.85Š|
| 75 | G | 77.8 | Confident | 83.8 | Confident | 81 Ų | 81 | 110.8 Ų | 110.8 | 84% | 0.835 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | -7.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K73 | K73-G75 PolarHBondContact O-N 2.95Š|
| 76 | R | 76.3 | Confident | 83.6 | Confident | 182 Ų | 182 | 117.7 Ų | 117.7 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 119.4 | 176.7 | -157.1 | 166.6 | -177.6 | 176.8 | 0.3 | 109.4 | K73 N74 R78 | K73-R76 PolarHBondContact N-O 3.46Å; K73-R76 PolarHBondContact O-N 3.11Å; N74-R76 PolarHBondContact O-N 2.85Å; R76-R78 PolarHBondContact O-N 3.4Å |
| 77 | K | 82.1 | Confident | 83.3 | Confident | 166 Ų | 166 | 117.7 Ų | 117.7 | 72% | 0.722 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.8 | 124 | 172.4 | -67.5 | 179.6 | -179.2 | -177.8 | 0 | 108.3 | T72 | T72-K77 HydrophobicContact CG2-CG 3.98Å |
| 78 | R | 79.8 | Confident | 83.4 | Confident | 162 Ų | 162 | 113.7 Ų | 113.7 | 61% | 0.611 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.3 | 130.8 | 169.8 | -67.3 | -172.8 | 178.3 | -175.3 | -0.2 | 108.1 | V71 R76 | V71-R78 PolarHBondContact N-O 2.9Å; V71-R78 PolarHBondContact O-N 2.8Å; V71-R78 VanDerWaalsContact O-O 3.13Å; R76-R78 PolarHBondContact O-N 3.4Å |
| 79 | S | 83.6 | Confident | 83.6 | Confident | 78 Ų | 78 | 113.3 Ų | 113.3 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.3 | 137.2 | 166.8 | 47 | 0 | 0 | 0 | 0 | 109.6 | E68 | E68-S79 WeakPolarHBondContact OE1-CB 3.49Å |
| 80 | K | 88.5 | Confident | 84 | Confident | 128 Ų | 128 | 116 Ų | 116 | 56% | 0.557 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -136.8 | 125.4 | 173.4 | -176 | 177.1 | -178.8 | -179.1 | 0 | 109 | T69 V71 | T69-K80 PolarHBondContact N-O 2.8Å; T69-K80 PolarHBondContact O-N 2.95Å; T69-K80 PolarHBondContact OG1-O 2.84Å; V71-K80 HydrophobicContact CG2-CB 4.09Å |
| 81 | L | 91.1 | Very high | 84.5 | Confident | 114 Ų | 114 | 112.4 Ų | 112.4 | 60% | 0.597 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.8 | 129.5 | 169.9 | -63.9 | 176.1 | 0 | 0 | 0 | 110 | Y66 E67 E68 | Y66-L81 HydrophobicContact CD1-CB 4.39Å; E67-L81 CarbonylContact O-C 3.6Å; E67-L81 WeakPolarHBondContact O-CA 3.41Å; E68-L81 HydrophobicContact CB-CD2 4.06Å |
| 82 | K | 90.2 | Very high | 85.1 | Confident | 110 Ų | 110 | 111.6 Ų | 111.6 | 48% | 0.478 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 134 | 171.5 | -71.9 | -172.3 | -171.3 | 168.9 | 0 | 108.9 | Y66 E67 T69 I84 | Y66-K82 CarbonylContact C-O 3.53Å; Y66-K82 VanDerWaalsContact CA-O 3.26Å; Y66-K82 WeakPolarHBondContact CA-O 3.33Å; E67-K82 PolarHBondContact N-O 3.03Å; E67-K82 PolarHBondContact O-N 2.68Å; T69-K82 HydrophobicContact CG2-CB 4.34Å; T69-K82 HydrophobicContact CG2-CD 3.75Å; T69-K82 HydrophobicContact CG2-CG 4.09Å; T69-K82 VanDerWaalsContact OG1-CE 3.29Å; T69-K82 WeakPolarHBondContact OG1-CE 3.3Å; K82-I84 PolarHBondContact O-N 2.85Å |
| 83 | R | 91.8 | Very high | 85.8 | Confident | 119 Ų | 119 | 113 Ų | 113 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.8 | 131.1 | 174.5 | -174.2 | 178 | 176 | 150.6 | 7 | 109.9 | E64 F65 Y66 | E64-R83 VanDerWaalsContact CD-NH1 3.28Å; E64-R83 VanDerWaalsContact CD-NH2 3.29Å; E64-R83 IonicContact OE1-CZ 3.11Å; E64-R83 IonicContact OE1-NH1 2.8Å; E64-R83 PolarHBondContact OE1-NH1 2.81Å; E64-R83 IonicContact OE1-NH2 2.87Å; E64-R83 PolarHBondContact OE1-NH2 3.39Å; E64-R83 IonicContact OE2-CZ 3.74Å; E64-R83 IonicContact OE2-NH1 3.46Å; E64-R83 PolarHBondContact OE2-NH1 3.49Å; F65-R83 WeakPolarHBondContact O-CA 3.43Å; Y66-R83 HydrophobicContact CD1-CB 3.96Å; Y66-R83 HydrophobicContact CE1-CB 3.62Å; Y66-R83 HydrophobicContact CE1-CG 4.17Å |
| 84 | I | 89.1 | Confident | 86.5 | Confident | 50 Ų | 50 | 108 Ų | 108 | 26% | 0.256 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 139.4 | 171.7 | -61.1 | 166.1 | 0 | 0 | 0 | 109 | F65 E67 K82 K86 | F65-I84 PolarHBondContact O-N 2.92Å; E67-I84 HydrophobicContact CB-CD1 3.27Å; E67-I84 HydrophobicContact CB-CG1 3.94Å; E67-I84 HydrophobicContact CG-CD1 4.34Å; K82-I84 PolarHBondContact O-N 2.85Å; I84-K86 VanDerWaalsContact CG2-O 3.23Å; I84-K86 WeakPolarHBondContact CG2-O 3.37Å |
| 85 | Q | 87.5 | Confident | 87.4 | Confident | 151 Ų | 151 | 108.3 Ų | 108.3 | 71% | 0.706 | 54% | 0.536 | S | S | * | . | trans | -128.9 | -1.5 | 169.8 | -65.1 | -177.3 | -15.2 | 0 | 0 | 112.1 | ||||
| 86 | K | 88.4 | Confident | 87.9 | Confident | 168 Ų | 168 | 106.4 Ų | 106.4 | 73% | 0.73 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -94.6 | 152.7 | 179.8 | -61.5 | -176.7 | 178.9 | -176.6 | 0 | 109.1 | I84 L88 | I84-K86 VanDerWaalsContact CG2-O 3.23Å; I84-K86 WeakPolarHBondContact CG2-O 3.37Å; K86-L88 PolarHBondContact O-N 3.18Å |
| 87 | N | 86 | Confident | 88.4 | Confident | 117 Ų | 117 | 105.3 Ų | 105.3 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | S | Bend | trans | 59 | 14.4 | 176.6 | -52.7 | -8.5 | 0 | 0 | 0 | 115.3 | E57 | E57-N87 HydrophobicContact CG-CB 4.39Å; E57-N87 WeakPolarHBondContact OE1-CB 3.44Å; E57-N87 PolarHBondContact OE1-ND2 3.04Å |
| 88 | L | 90.3 | Very high | 88.6 | Confident | 32 Ų | 32 | 104.5 Ų | 104.5 | 17% | 0.168 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 128.2 | 176.2 | -65 | -177.3 | 0 | 0 | 0 | 110.3 | Y54 Y55 D56 F65 K86 | Y54-L88 HydrophobicContact CD1-CB 3.97Å; Y54-L88 HydrophobicContact CG-CB 4.27Å; Y55-L88 CarbonylContact O-C 3.51Å; Y55-L88 WeakPolarHBondContact O-CA 3.26Å; D56-L88 HydrophobicContact CB-CD2 3.85Å; F65-L88 HydrophobicContact CB-CD1 4.42Å; F65-L88 HydrophobicContact CB-CD2 4.18Å; F65-L88 HydrophobicContact CD2-CD1 3.71Å; F65-L88 HydrophobicContact CD2-CD2 3.35Å; F65-L88 HydrophobicContact CD2-CG 4.17Å; F65-L88 HydrophobicContact CE2-CD2 3.85Å; F65-L88 HydrophobicContact CG-CD1 4.47Å; F65-L88 HydrophobicContact CG-CD2 3.82Å; K86-L88 PolarHBondContact O-N 3.18Å |
| 89 | I | 91.4 | Very high | 89 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 118.1 | 178.8 | -58.5 | 171.6 | 0 | 0 | 0 | 108.3 | Y54 Y55 Q91 | Y54-I89 CarbonylContact C-O 3.54Å; Y54-I89 VanDerWaalsContact CA-O 3.28Å; Y54-I89 WeakPolarHBondContact CA-O 3Å; Y55-I89 PolarHBondContact N-O 2.73Å; Y55-I89 PolarHBondContact O-N 3.06Å; I89-Q91 PolarHBondContact O-N 2.78Å |
| 90 | P | 92.8 | Very high | 89 | Confident | 81 Ų | 81 | 103.3 Ų | 103.3 | 53% | 0.526 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 133.9 | 178.3 | 27.4 | -33.3 | 0 | 0 | 0 | 110.5 | Y54 G92 | Y54-P90 HydrophobicContact CD1-CB 3.95Å; Y54-P90 HydrophobicContact CE1-CB 3.77Å; P90-G92 PolarHBondContact O-N 3.34Å |
| 91 | Q | 90 | Very high | 88.9 | Confident | 49 Ų | 49 | 100.7 Ų | 100.7 | 23% | 0.229 | 50% | 0.495 | C | S | . | . | trans | -65.1 | -26.3 | 174.6 | 179.1 | -167.5 | 39.4 | 0 | 0 | 111.8 | S51 L53 Y55 L61 I89 V94 | S51-Q91 WeakPolarHBondContact OG-CB 3.37Å; S51-Q91 PolarHBondContact OG-OE1 2.78Å; L53-Q91 HydrophobicContact CB-CB 4.3Å; L53-Q91 WeakPolarHBondContact O-CB 3.48Å; L53-Q91 PolarHBondContact O-N 2.79Å; Y55-Q91 HydrophobicContact CD2-CB 4.35Å; Y55-Q91 HydrophobicContact CE2-CB 3.87Å; Y55-Q91 HydrophobicContact CE2-CG 3.95Å; L61-Q91 HydrophobicContact CD1-CB 4.07Å; L61-Q91 HydrophobicContact CD1-CG 4.39Å; I89-Q91 PolarHBondContact O-N 2.78Å; Q91-V94 VanDerWaalsContact CD-CG2 3.44Å; Q91-V94 HydrophobicContact CG-CG2 3.73Å | ||
| 92 | G | 89.7 | Confident | 88.5 | Confident | 27 Ų | 27 | 97.8 Ų | 97.8 | 28% | 0.278 | 48% | 0.479 | S | S | . | . | trans | 77.4 | -130.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S51 P90 | S51-G92 PolarHBondContact N-O 2.96Å; S51-G92 PolarHBondContact OG-O 3.01Å; P90-G92 PolarHBondContact O-N 3.34Å | ||
| 93 | I | 90.5 | Very high | 88 | Confident | 128 Ų | 128 | 99.2 Ų | 99.2 | 66% | 0.656 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 114.7 | -177.4 | -59.8 | 174.4 | 0 | 0 | 0 | 108.9 | T48 | T48-I93 HydrophobicContact CG2-CG2 4.01Å |
| 94 | V | 88.8 | Confident | 87.5 | Confident | 44 Ų | 44 | 99.6 Ų | 99.6 | 27% | 0.267 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.3 | -178.5 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | T48 R49 Q91 | T48-V94 CarbonylContact C-O 3.6Å; T48-V94 VanDerWaalsContact CA-O 3.3Å; T48-V94 WeakPolarHBondContact CA-O 3.47Å; R49-V94 PolarHBondContact N-O 2.97Å; R49-V94 PolarHBondContact O-N 2.63Å; Q91-V94 VanDerWaalsContact CD-CG2 3.44Å; Q91-V94 HydrophobicContact CG-CG2 3.73Å |
| 95 | K | 90.6 | Very high | 87 | Confident | 178 Ų | 178 | 100.9 Ų | 100.9 | 77% | 0.774 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 133.1 | 171.6 | -68.2 | -178.8 | -179.5 | 176.9 | 0 | 109.7 | F47 T48 | F47-K95 WeakPolarHBondContact O-CA 3.23Å; T48-K95 HydrophobicContact CG2-CG 4.32Å |
| 96 | L | 86.8 | Confident | 86.5 | Confident | 41 Ų | 41 | 100 Ų | 100 | 22% | 0.215 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 136.6 | 177.4 | -61.7 | 172.3 | 0 | 0 | 0 | 109.2 | I46 F47 R49 H98 R100 | I46-L96 HydrophobicContact CG2-CD1 4.35Å; F47-L96 PolarHBondContact O-N 2.79Å; R49-L96 HydrophobicContact CB-CD1 4.37Å; R49-L96 HydrophobicContact CB-CD2 4.01Å; R49-L96 HydrophobicContact CB-CG 4.32Å; L96-H98 WeakPolarHBondContact CB-O 3.23Å; L96-H98 PolarHBondContact O-N 3.36Å; L96-R100 HydrophobicContact CD1-CB 4.35Å; L96-R100 HydrophobicContact CD1-CG 3.96Å |
| 97 | N | 88 | Confident | 85.7 | Confident | 158 Ų | 158 | 95.4 Ų | 95.4 | 85% | 0.845 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | -36.1 | 174.8 | -66.1 | -17.9 | 0 | 0 | 0 | 111.7 | ||
| 98 | H | 86.3 | Confident | 85.1 | Confident | 150 Ų | 150 | 97.2 Ų | 97.2 | 69% | 0.694 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136.5 | 177.7 | -56.5 | 95.6 | 0 | 0 | 0 | 109.7 | L96 | L96-H98 WeakPolarHBondContact CB-O 3.23Å; L96-H98 PolarHBondContact O-N 3.36Å |
| 99 | P | 86.9 | Confident | 84.5 | Confident | 61 Ų | 61 | 102.4 Ų | 102.4 | 40% | 0.396 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 141.2 | 175.9 | 24.1 | -31.1 | 0 | 0 | 0 | 111 | F45 I46 F47 | F45-P99 HydrophobicContact CB-CB 3.89Å; F45-P99 HydrophobicContact CD1-CB 3.99Å; F45-P99 HydrophobicContact CD1-CG 4.37Å; F45-P99 HydrophobicContact CG-CB 4.24Å; I46-P99 WeakPolarHBondContact O-CA 2.94Å; F47-P99 HydrophobicContact CD1-CB 3.97Å; F47-P99 HydrophobicContact CE1-CB 3.65Å; F47-P99 HydrophobicContact CE1-CG 4.01Å; F47-P99 HydrophobicContact CZ-CB 3.96Å; F47-P99 HydrophobicContact CZ-CG 4.46Å |
| 100 | R | 84.8 | Confident | 83.5 | Confident | 154 Ų | 154 | 102.5 Ų | 102.5 | 58% | 0.581 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 151.4 | 175.2 | -64.9 | -174.9 | 77.3 | 174.5 | 4.5 | 110.8 | F45 I46 L96 | F45-R100 CarbonylContact C-O 3.56Å; F45-R100 WeakPolarHBondContact CA-O 3.42Å; I46-R100 WeakPolarHBondContact CB-O 3.29Å; I46-R100 PolarHBondContact N-O 3.4Å; I46-R100 PolarHBondContact O-N 3.15Å; L96-R100 HydrophobicContact CD1-CB 4.35Å; L96-R100 HydrophobicContact CD1-CG 3.96Å |
| 101 | I | 85.8 | Confident | 82.9 | Confident | 72 Ų | 72 | 108 Ų | 108 | 37% | 0.369 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.5 | 136.2 | 178.3 | -57.9 | 173.6 | 0 | 0 | 0 | 109.8 | P44 V107 L109 | P44-I101 CarbonylContact O-C 3.44Å; P44-I101 VanDerWaalsContact O-CA 3.23Å; P44-I101 WeakPolarHBondContact O-CA 3.37Å; I101-V107 HydrophobicContact CD1-CB 4.31Å; I101-V107 HydrophobicContact CD1-CG1 4.46Å; I101-V107 HydrophobicContact CG2-CB 4.43Å; I101-V107 HydrophobicContact CG2-CG2 3.98Å; I101-L109 HydrophobicContact CD1-CD1 4.36Å; I101-L109 HydrophobicContact CD1-CD2 4.46Å |
| 102 | H | 83.9 | Confident | 81.6 | Confident | 54 Ų | 54 | 115.6 Ų | 115.6 | 25% | 0.25 | 62% | 0.617 | C | S | . | * | trans | -71.4 | 134.6 | 176.6 | -170.9 | -75.2 | 0 | 0 | 0 | 110.8 | P44 I46 D104 F105 | P44-H102 PolarHBondContact O-N 3.27Å; I46-H102 HydrophobicContact CD1-CB 3.85Å; I46-H102 HydrophobicContact CG1-CB 3.91Å; H102-D104 IonicContact CE1-OD2 3.27Å; H102-D104 PolarHBondContact CE1-OD2 3.45Å; H102-D104 VanDerWaalsContact CE1-OD2 3.27Å; H102-D104 PolarHBondContact ND1-N 3.09Å; H102-D104 IonicContact ND1-OD2 3.88Å; H102-D104 PolarHBondContact O-N 3.26Å; H102-D104 VanDerWaalsContact O-N 3.15Å; H102-F105 HydrophobicContact CB-CD2 3.72Å; H102-F105 HydrophobicContact CB-CE2 4.3Å; H102-F105 AromaticContact CG-CD2 3.94Å; H102-F105 AromaticContact ND1-CD2 3.76Å; H102-F105 PolarHBondContact O-N 2.67Å | ||
| 103 | V | 79.8 | Confident | 81.2 | Confident | 139 Ų | 139 | 120 Ų | 120 | 84% | 0.842 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -31.5 | -170.7 | -175.9 | 0 | 0 | 0 | 0 | 112.7 | F105 | V103-F105 VanDerWaalsContact C-N 3.26Å; V103-F105 PolarHBondContact O-N 3.26Å |
| 104 | D | 81.1 | Confident | 80.7 | Confident | 128 Ų | 128 | 119.6 Ų | 119.6 | 68% | 0.684 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -3.1 | 178.9 | -59.3 | -20.8 | 0 | 0 | 0 | 114.4 | H102 P106 | H102-D104 IonicContact CE1-OD2 3.27Å; H102-D104 PolarHBondContact CE1-OD2 3.45Å; H102-D104 VanDerWaalsContact CE1-OD2 3.27Å; H102-D104 PolarHBondContact ND1-N 3.09Å; H102-D104 IonicContact ND1-OD2 3.88Å; H102-D104 PolarHBondContact O-N 3.26Å; H102-D104 VanDerWaalsContact O-N 3.15Å; D104-P106 VanDerWaalsContact O-CD 3.3Å; D104-P106 WeakPolarHBondContact O-CD 3.3Å |
| 105 | F | 76.9 | Confident | 80.2 | Confident | 76 Ų | 76 | 123.8 Ų | 123.8 | 33% | 0.333 | 65% | 0.653 | S | S | . | * | trans | -107 | 99.8 | 178.5 | -71.8 | -95.2 | 0 | 0 | 0 | 109.9 | A42 P44 H102 V103 V107 | A42-F105 HydrophobicContact CB-CE2 3.67Å; A42-F105 HydrophobicContact CB-CZ 3.89Å; A42-F105 WeakPolarHBondContact O-CZ 2.82Å; P44-F105 HydrophobicContact CB-CB 4.35Å; P44-F105 HydrophobicContact CB-CD1 4.39Å; P44-F105 HydrophobicContact CB-CG 4.25Å; H102-F105 HydrophobicContact CB-CD2 3.72Å; H102-F105 HydrophobicContact CB-CE2 4.3Å; H102-F105 AromaticContact CG-CD2 3.94Å; H102-F105 AromaticContact ND1-CD2 3.76Å; H102-F105 PolarHBondContact O-N 2.67Å; V103-F105 VanDerWaalsContact C-N 3.26Å; V103-F105 PolarHBondContact O-N 3.26Å; F105-V107 HydrophobicContact CB-CG2 4.15Å; F105-V107 PolarHBondContact O-N 3.16Å; F105-V107 VanDerWaalsContact O-N 3.09Å | ||
| 106 | P | 76.9 | Confident | 79.6 | Confident | 132 Ų | 132 | 120.6 Ų | 120.6 | 86% | 0.857 | 65% | 0.646 | S | S | * | * | trans | -66.6 | 109.4 | 169.6 | 27.5 | -32.2 | 0 | 0 | 0 | 108.8 | D104 | D104-P106 VanDerWaalsContact O-CD 3.3Å; D104-P106 WeakPolarHBondContact O-CD 3.3Å | ||
| 107 | V | 73.2 | Confident | 79.2 | Confident | 73 Ų | 73 | 125.6 Ų | 125.6 | 44% | 0.442 | 67% | 0.673 | S | S | . | * | trans | -119.4 | 133.6 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | I101 F105 L109 | I101-V107 HydrophobicContact CD1-CB 4.31Å; I101-V107 HydrophobicContact CD1-CG1 4.46Å; I101-V107 HydrophobicContact CG2-CB 4.43Å; I101-V107 HydrophobicContact CG2-CG2 3.98Å; F105-V107 HydrophobicContact CB-CG2 4.15Å; F105-V107 PolarHBondContact O-N 3.16Å; F105-V107 VanDerWaalsContact O-N 3.09Å; V107-L109 HydrophobicContact CG1-CD2 4.22Å | ||
| 108 | I | 72.9 | Confident | 78.6 | Confident | 154 Ų | 154 | 123.4 Ų | 123.4 | 79% | 0.79 | 66% | 0.661 | S | S | * | * | trans | -101 | 122.3 | 170.6 | -57.7 | 173.9 | 0 | 0 | 0 | 107.3 | ||||
| 109 | L | 77.4 | Confident | 78 | Confident | 141 Ų | 141 | 121.5 Ų | 121.5 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | trans | -93.7 | 119.4 | 175 | -62.2 | 173 | 0 | 0 | 0 | 108.2 | I101 V107 | I101-L109 HydrophobicContact CD1-CD1 4.36Å; I101-L109 HydrophobicContact CD1-CD2 4.46Å; V107-L109 HydrophobicContact CG1-CD2 4.22Å | ||
| 110 | C | 69.9 | Low | 77.4 | Confident | 113 Ų | 113 | 126.2 Ų | 126.2 | 76% | 0.764 | 68% | 0.679 | S | S | * | * | trans | -106.2 | 130.2 | 173 | -60.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 111 | E | 81.4 | Confident | 76.7 | Confident | 195 Ų | 195 | 123.8 Ų | 123.8 | 91% | 0.911 | 69% | 0.687 | S | S | * | * | trans | -82.5 | 145.3 | 165 | -170.4 | 172.8 | -175.5 | 0 | 0 | 108.6 | ||||
| 112 | V | 61.6 | Low | 75.9 | Confident | 209 Ų | 209 | 128.5 Ų | 128.5 | 100% | 1.267 | 72% | 0.716 | S | S | * | * | trans | -98 | 0 | -179.7 | 179.8 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 112 of 112 residues in 325.1 ms
(Link to these results)