| 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 | 41.4 | Very low | 42.2 | Very low | 241 Ų | 241 | 124.1 Ų | 124.1 | 100% | 1.187 | 82% | 0.82 | S | S | * | * | 0 | 119.4 | 0 | -65.8 | 166.7 | 179.4 | 0 | 0 | 106.5 | |||||
| 2 | A | 46.3 | Very low | 42.8 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | trans | 57.7 | 110.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 3 | S | 39.2 | Very low | 42.3 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | 54.5 | 124.9 | 50.5 | -40.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 4 | K | 40 | Very low | 41.7 | Very low | 204 Ų | 204 | 130.1 Ų | 130.1 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | cis | -176.1 | 138.6 | -1.5 | -164.8 | 160.8 | 174 | 178.5 | 0 | 103.5 | ||||
| 5 | G | 36.9 | Very low | 41.8 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | -73 | -158.3 | 168 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 6 | P | 58.9 | Low | 41.9 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | cis | -140.1 | -159.1 | -14.8 | 40.3 | -19.4 | 0 | 0 | 0 | 112.7 | ||||
| 7 | S | 39.5 | Very low | 41.9 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | 88.4 | 134.4 | 147.3 | -85.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 8 | A | 42.5 | Very low | 41.6 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -71.5 | 153.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 9 | S | 39.8 | Very low | 41.6 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | 160.7 | 144.7 | 128.2 | -69.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 10 | A | 36.3 | Very low | 42.1 | Very low | 92 Ų | 92 | 121 Ų | 121 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | 86.8 | 113 | 144.7 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 11 | S | 43.7 | Very low | 42.4 | Very low | 95 Ų | 95 | 121.2 Ų | 121.2 | 66% | 0.664 | 81% | 0.81 | S | S | * | * | trans | 76.3 | 132.7 | 137.4 | -51.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 12 | P | 49.3 | Very low | 42.1 | Very low | 136 Ų | 136 | 113.3 Ų | 113.3 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | -119.1 | 149.1 | 99.9 | 35.2 | -32.9 | 0 | 0 | 0 | 113.2 | |||||
| 13 | E | 36.3 | Very low | 42.2 | Very low | 174 Ų | 174 | 113.5 Ų | 113.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -92.7 | 167 | 178.6 | -45.6 | 178.8 | 133.9 | 0 | 0 | 109.8 | ||||
| 14 | N | 34.5 | Very low | 42.5 | Very low | 146 Ų | 146 | 113.5 Ų | 113.5 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | 102.8 | 87.5 | 160 | -138.2 | 43 | 0 | 0 | 0 | 115.2 | ||||
| 15 | S | 42.3 | Very low | 42.8 | Very low | 95 Ų | 95 | 111.1 Ų | 111.1 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | 74.9 | 127.8 | 87.2 | -59.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 16 | T | 43.9 | Very low | 43.4 | Very low | 136 Ų | 136 | 111.4 Ų | 111.4 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | cis | -159.9 | 152.6 | 17.4 | -43.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 17 | A | 42.3 | Very low | 42.5 | Very low | 99 Ų | 99 | 109.7 Ų | 109.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -62.4 | 162.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 18 | G | 35.2 | Very low | 42.5 | Very low | 76 Ų | 76 | 107.2 Ų | 107.2 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | 149.3 | 78.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 19 | G | 41.8 | Very low | 42.6 | Very low | 73 Ų | 73 | 112.6 Ų | 112.6 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -69.8 | 170.6 | 144.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 20 | P | 52.8 | Low | 42.7 | Very low | 120 Ų | 120 | 112.3 Ų | 112.3 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | cis | -143.9 | 175.6 | 35.3 | 36.6 | -15 | 0 | 0 | 0 | 116.1 | ||||
| 21 | S | 48.3 | Very low | 43 | Very low | 125 Ų | 125 | 112 Ų | 112 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | 45.9 | 109.2 | 148.1 | -57.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 22 | G | 35.6 | Very low | 42.9 | Very low | 75 Ų | 75 | 110.1 Ų | 110.1 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -151.2 | 83.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 23 | S | 47.1 | Very low | 42.8 | Very low | 98 Ų | 98 | 113 Ų | 113 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | 38.7 | 107.2 | 149.6 | -57.1 | 0 | 0 | 0 | 0 | 118.8 | N25 | S23-N25 PolarHBondContact O-N 2.83Š| ||
| 24 | S | 46.7 | Very low | 43.4 | Very low | 120 Ų | 120 | 111.3 Ų | 111.3 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -48.7 | 104.8 | 141.4 | 50.3 | 0 | 0 | 0 | 0 | 108.9 | G26 | S24-G26 PolarHBondContact O-N 3.45Š| ||
| 25 | N | 46.4 | Very low | 44.5 | Very low | 153 Ų | 153 | 109.3 Ų | 109.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -74.5 | 69.8 | 166 | -77.2 | -17 | 0 | 0 | 0 | 108.8 | S23 A27 | S23-N25 PolarHBondContact O-N 2.83Å; N25-A27 VanDerWaalsContact C-N 3.32Å | ||
| 26 | G | 47.8 | Very low | 45.7 | Very low | 75 Ų | 75 | 109.2 Ų | 109.2 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -88.8 | 79.7 | 145.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | S24 | S24-G26 PolarHBondContact O-N 3.45Š| ||
| 27 | A | 40.8 | Very low | 47.5 | Very low | 87 Ų | 87 | 108.2 Ų | 108.2 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | trans | -100.2 | 104.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 103.5 | N25 | N25-A27 VanDerWaalsContact C-N 3.32Š| ||
| 28 | G | 40.4 | Very low | 49.6 | Very low | 69 Ų | 69 | 108.6 Ų | 108.6 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | 83.9 | 56.8 | 71.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | S30 | G28-S30 VanDerWaalsContact C-N 3.28Å; G28-S30 PolarHBondContact O-N 2.85Å | |||
| 29 | E | 43.9 | Very low | 52.3 | Low | 200 Ų | 200 | 105 Ų | 105 | 94% | 0.935 | 71% | 0.708 | S | S | * | * | trans | -92.9 | 71.4 | 163.2 | -103.9 | 169.3 | 97.8 | 0 | 0 | 108.3 | G31 | E29-G31 PolarHBondContact O-N 3.16Š| ||
| 30 | S | 41.7 | Very low | 54.6 | Low | 114 Ų | 114 | 105.2 Ų | 105.2 | 80% | 0.797 | 69% | 0.692 | S | S | * | * | trans | -75 | 113.7 | 158.2 | 55.8 | 0 | 0 | 0 | 0 | 108.4 | G28 | G28-S30 VanDerWaalsContact C-N 3.28Å; G28-S30 PolarHBondContact O-N 2.85Å | ||
| 31 | G | 42.4 | Very low | 56.4 | Low | 85 Ų | 85 | 102.6 Ų | 102.6 | 88% | 0.876 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 68.3 | 73.1 | 135.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | E29 | E29-G31 PolarHBondContact O-N 3.16Š|
| 32 | G | 42.5 | Very low | 58.4 | Low | 56 Ų | 56 | 99.5 Ų | 99.5 | 58% | 0.577 | 65% | 0.649 | S | S | * | * | trans | -170.5 | 103.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | D34 | G32-D34 PolarHBondContact O-N 2.77Š| ||
| 33 | Q | 46.1 | Very low | 61 | Low | 197 Ų | 197 | 101.8 Ų | 101.8 | 92% | 0.921 | 64% | 0.643 | S | S | * | * | trans | -68.3 | 65.5 | 155.5 | -68.4 | 165.5 | 72.6 | 0 | 0 | 106.2 | S35 | Q33-S35 PolarHBondContact O-N 3.02Š| ||
| 34 | D | 49.3 | Very low | 63 | Low | 138 Ų | 138 | 101.5 Ų | 101.5 | 74% | 0.738 | 63% | 0.633 | S | S | * | * | trans | -60.1 | 104.1 | 156.8 | -81.1 | -27.2 | 0 | 0 | 0 | 102.4 | G32 T36 | G32-D34 PolarHBondContact O-N 2.77Å; D34-T36 PolarHBondContact O-N 3.29Å; D34-T36 PolarHBondContact O-OG1 3.1Å | ||
| 35 | S | 57.6 | Low | 64.9 | Low | 104 Ų | 104 | 99.4 Ų | 99.4 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | trans | -69.4 | 76.3 | 174.4 | 29.4 | 0 | 0 | 0 | 0 | 105.6 | Q33 F37 | Q33-S35 PolarHBondContact O-N 3.02Å; S35-F37 PolarHBondContact O-N 3.26Å; S35-F37 VanDerWaalsContact O-N 3.12Å | ||
| 36 | T | 68.4 | Low | 66.7 | Low | 94 Ų | 94 | 92.9 Ų | 92.9 | 58% | 0.577 | 58% | 0.583 | S | S | * | * | trans | -55.7 | 121.5 | 176 | -14.6 | 0 | 0 | 0 | 0 | 105.6 | D34 E38 T45 | D34-T36 PolarHBondContact O-N 3.29Å; D34-T36 PolarHBondContact O-OG1 3.1Å; T36-E38 PolarHBondContact O-N 3.14Å; T36-T45 HydrophobicContact CG2-CG2 3.87Å | ||
| 37 | F | 80.1 | Confident | 68.4 | Low | 115 Ų | 115 | 96.5 Ų | 96.5 | 50% | 0.504 | 58% | 0.577 | S | S | . | * | trans | -60.4 | 107.6 | -179.6 | -65.2 | -73.7 | 0 | 0 | 0 | 108.5 | S35 A46 L57 | S35-F37 PolarHBondContact O-N 3.26Å; S35-F37 VanDerWaalsContact O-N 3.12Å; F37-A46 HydrophobicContact CB-CB 4.44Å; F37-A46 VanDerWaalsContact O-CB 3.22Å; F37-A46 WeakPolarHBondContact O-CB 3.44Å; F37-A46 PolarHBondContact O-N 3.04Å; F37-L57 HydrophobicContact CB-CD1 3.76Å; F37-L57 HydrophobicContact CB-CD2 4.07Å; F37-L57 HydrophobicContact CD1-CD1 3.5Å; F37-L57 HydrophobicContact CE1-CD1 4.42Å; F37-L57 HydrophobicContact CG-CD1 3.94Å | ||
| 38 | E | 87.8 | Confident | 70.5 | Confident | 107 Ų | 107 | 98.3 Ų | 98.3 | 50% | 0.5 | 58% | 0.575 | S | S | . | * | B | Isolated β-bridge | trans | -94.1 | 135.5 | -177.8 | -167.2 | -172.2 | 150.2 | 0 | 0 | 110.5 | T36 L43 L57 | T36-E38 PolarHBondContact O-N 3.14Å; E38-L43 WeakPolarHBondContact OE1-CA 3.24Å; E38-L57 WeakPolarHBondContact O-CD2 3.42Å |
| 39 | C | 91.1 | Very high | 72.8 | Confident | 0 Ų | 0 | 95.5 Ų | 95.5 | 0% | 0 | 55% | 0.545 | C | S | . | . | trans | -81.7 | 125.2 | 175.2 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | I41 C42 L43 D44 A46 F58 C59 | C39-I41 PolarHBondContact O-N 3.45Å; C39-I41 PolarHBondContact SG-N 3.01Å; C39-I41 VanDerWaalsContact SG-N 3.36Å; C39-C42 VanDerWaalsContact CB-SG 3.51Å; C39-C42 VanDerWaalsContact SG-SG 3.68Å; C39-L43 VanDerWaalsContact O-CA 3.27Å; C39-L43 WeakPolarHBondContact O-CA 3.46Å; C39-L43 PolarHBondContact O-N 3Å; C39-D44 PolarHBondContact N-O 2.71Å; C39-A46 HydrophobicContact CB-CB 4.19Å; C39-F58 VanDerWaalsContact SG-CA 3.6Å; C39-C59 WeakPolarHBondContact CB-SG 3.08Å; C39-C59 PolarHBondContact SG-N 3.08Å | ||
| 40 | N | 89.9 | Confident | 75.1 | Confident | 77 Ų | 77 | 86.2 Ų | 86.2 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 4.2 | 178.9 | -67.3 | -87.3 | 0 | 0 | 0 | 115.4 | L57 F58 V78 | N40-L57 PolarHBondContact N-O 3.37Å; N40-L57 PolarHBondContact ND2-O 3.18Å; N40-F58 HydrophobicContact CB-CD1 4Å; N40-F58 HydrophobicContact CB-CE1 3.62Å; N40-V78 HydrophobicContact CB-CG2 3.78Å |
| 41 | I | 90.6 | Very high | 77.5 | Confident | 66 Ų | 66 | 82.9 Ų | 82.9 | 34% | 0.338 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -49.5 | 177.3 | -65.2 | 162.8 | 0 | 0 | 0 | 110.5 | C39 F58 C62 P77 | C39-I41 PolarHBondContact O-N 3.45Å; C39-I41 PolarHBondContact SG-N 3.01Å; C39-I41 VanDerWaalsContact SG-N 3.36Å; I41-F58 HydrophobicContact CD1-CB 4.32Å; I41-F58 HydrophobicContact CD1-CD1 3.53Å; I41-F58 HydrophobicContact CD1-CE1 4.14Å; I41-F58 HydrophobicContact CD1-CG 4.14Å; I41-F58 HydrophobicContact CG1-CD1 3.65Å; I41-F58 HydrophobicContact CG1-CE1 4.02Å; I41-C62 HydrophobicContact CB-CB 3.9Å; I41-C62 HydrophobicContact CD1-CB 3.75Å; I41-C62 HydrophobicContact CG1-CB 4.44Å; I41-C62 HydrophobicContact CG2-CB 3.87Å; I41-P77 HydrophobicContact CD1-CG 4.16Å; I41-P77 HydrophobicContact CG1-CG 4.23Å |
| 42 | C | 90.8 | Very high | 79.8 | Confident | 60 Ų | 60 | 78.9 Ų | 78.9 | 41% | 0.405 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -8.7 | -179.6 | 66 | 0 | 0 | 0 | 0 | 114.1 | C39 D44 C59 | C39-C42 VanDerWaalsContact CB-SG 3.51Å; C39-C42 VanDerWaalsContact SG-SG 3.68Å; C42-D44 PolarHBondContact O-N 3.28Å; C42-C59 VanDerWaalsContact SG-SG 3.7Å |
| 43 | L | 90 | Very high | 82.1 | Confident | 123 Ų | 123 | 81.9 Ų | 81.9 | 64% | 0.644 | 44% | 0.435 | S | S | * | . | trans | 54.5 | 35.2 | 179.6 | -51.4 | 178.3 | 0 | 0 | 0 | 113 | E38 C39 | E38-L43 WeakPolarHBondContact OE1-CA 3.24Å; C39-L43 VanDerWaalsContact O-CA 3.27Å; C39-L43 WeakPolarHBondContact O-CA 3.46Å; C39-L43 PolarHBondContact O-N 3Å | ||
| 44 | D | 88.7 | Confident | 84.3 | Confident | 91 Ų | 91 | 74.7 Ų | 74.7 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -133.6 | 169.8 | 179.8 | -167.1 | 6.4 | 0 | 0 | 0 | 108.6 | C39 C42 A46 | C39-D44 PolarHBondContact N-O 2.71Å; C42-D44 PolarHBondContact O-N 3.28Å; D44-A46 PolarHBondContact O-N 3.27Å |
| 45 | T | 86.6 | Confident | 86.3 | Confident | 76 Ų | 76 | 70.7 Ų | 70.7 | 47% | 0.466 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -53 | 121.3 | 177 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | T36 K47 | T36-T45 HydrophobicContact CG2-CG2 3.87Å; T45-K47 PolarHBondContact O-N 3.29Å; T45-K47 VanDerWaalsContact O-N 3.16Å |
| 46 | A | 83.9 | Confident | 88 | Confident | 16 Ų | 16 | 67.8 Ų | 67.8 | 13% | 0.132 | 37% | 0.373 | C | S | . | . | trans | -70.1 | 113.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F37 C39 D44 A49 L57 C59 | F37-A46 HydrophobicContact CB-CB 4.44Å; F37-A46 VanDerWaalsContact O-CB 3.22Å; F37-A46 WeakPolarHBondContact O-CB 3.44Å; F37-A46 PolarHBondContact O-N 3.04Å; C39-A46 HydrophobicContact CB-CB 4.19Å; D44-A46 PolarHBondContact O-N 3.27Å; A46-A49 HydrophobicContact CB-CB 3.84Å; A46-L57 HydrophobicContact CB-CD2 3.39Å; A46-C59 VanDerWaalsContact CA-SG 3.59Å | ||
| 47 | K | 83.2 | Confident | 89.1 | Confident | 151 Ų | 151 | 64.2 Ų | 64.2 | 66% | 0.657 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 131.8 | 170 | -60.2 | 175.1 | -172.5 | 173 | 0 | 108.2 | T45 A49 C59 | T45-K47 PolarHBondContact O-N 3.29Å; T45-K47 VanDerWaalsContact O-N 3.16Å; K47-A49 VanDerWaalsContact C-N 3.35Å; K47-A49 PolarHBondContact O-N 3.27Å; K47-C59 WeakPolarHBondContact O-CA 3.43Å; K47-C59 WeakPolarHBondContact O-CB 3.45Å |
| 48 | D | 85.8 | Confident | 89.7 | Confident | 126 Ų | 126 | 58.7 Ų | 58.7 | 67% | 0.674 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 57.8 | -172.1 | -57.1 | -42.8 | 0 | 0 | 0 | 111 | V50 W60 | D48-V50 PolarHBondContact O-N 3.43Å; D48-W60 HydrophobicContact CB-CB 4Å; D48-W60 PolarHBondContact O-N 3.15Å |
| 49 | A | 88.4 | Confident | 89.9 | Confident | 9 Ų | 9 | 54 Ų | 54 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 125.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | A46 K47 L57 F58 L91 | A46-A49 HydrophobicContact CB-CB 3.84Å; K47-A49 VanDerWaalsContact C-N 3.35Å; K47-A49 PolarHBondContact O-N 3.27Å; A49-L57 HydrophobicContact CB-CD1 4.41Å; A49-L57 HydrophobicContact CB-CD2 4.13Å; A49-L57 HydrophobicContact CB-CG 4.37Å; A49-F58 WeakPolarHBondContact CA-O 3.18Å; A49-L91 HydrophobicContact CB-CB 4.2Å; A49-L91 PolarHBondContact O-N 2.89Å |
| 50 | V | 91.4 | Very high | 89.9 | Confident | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.036 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.5 | 173.5 | -67.4 | 0 | 0 | 0 | 0 | 109.5 | D48 L57 F58 W60 L63 P90 | D48-V50 PolarHBondContact O-N 3.43Å; V50-L57 WeakPolarHBondContact O-CA 3.23Å; V50-F58 HydrophobicContact CG2-CB 4.32Å; V50-F58 WeakPolarHBondContact CG2-O 3.34Å; V50-F58 PolarHBondContact N-O 3.04Å; V50-F58 PolarHBondContact O-N 3.4Å; V50-W60 HydrophobicContact CG1-CB 4.13Å; V50-W60 HydrophobicContact CG1-CE3 3.91Å; V50-W60 HydrophobicContact CG2-CE3 4.35Å; V50-L63 HydrophobicContact CG2-CB 4.33Å; V50-L63 HydrophobicContact CG2-CD2 3.75Å; V50-P90 HydrophobicContact CG1-CB 4.48Å |
| 51 | I | 92.1 | Very high | 90.1 | Very high | 44 Ų | 44 | 57.9 Ų | 57.9 | 23% | 0.226 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 132.4 | 171.3 | -76.5 | -172.3 | 0 | 0 | 0 | 109.2 | L57 I89 L91 | I51-L57 HydrophobicContact CD1-CD1 4.49Å; I51-L57 HydrophobicContact CG1-CB 4.3Å; I51-L57 HydrophobicContact CG1-CD1 4.2Å; I51-L57 HydrophobicContact CG1-CG 4.31Å; I51-I89 PolarHBondContact N-O 3.34Å; I51-I89 PolarHBondContact O-N 3.25Å; I51-L91 HydrophobicContact CB-CG 4.49Å; I51-L91 HydrophobicContact CD1-CD1 3.47Å; I51-L91 VanDerWaalsContact CD1-CD1 3.47Å; I51-L91 HydrophobicContact CD1-CD2 4Å; I51-L91 HydrophobicContact CD1-CG 3.89Å; I51-L91 HydrophobicContact CG1-CD1 3.65Å; I51-L91 HydrophobicContact CG1-CD2 4.38Å; I51-L91 HydrophobicContact CG1-CG 3.85Å |
| 52 | S | 91.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | trans | -76.7 | 155.3 | 166.4 | 58 | 0 | 0 | 0 | 0 | 111.2 | C54 G55 H56 I83 | S52-C54 PolarHBondContact O-N 3.01Å; S52-C54 PolarHBondContact OG-SG 3.35Å; S52-G55 PolarHBondContact O-N 3.29Å; S52-H56 PolarHBondContact N-O 2.91Å; S52-H56 PolarHBondContact OG-N 3.24Å; S52-H56 VanDerWaalsContact OG-N 3.13Å; S52-H56 PolarHBondContact OG-O 3.05Å; S52-I83 VanDerWaalsContact CB-CD1 3.4Å | ||
| 53 | L | 90.8 | Very high | 90.3 | Very high | 118 Ų | 118 | 53.3 Ų | 53.3 | 62% | 0.618 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -23.1 | 176.9 | -64.9 | -179.5 | 0 | 0 | 0 | 114.1 | G55 K87 I89 | L53-G55 VanDerWaalsContact C-N 3.27Å; L53-G55 PolarHBondContact O-N 3.34Å; L53-K87 HydrophobicContact CD1-CB 4Å; L53-K87 HydrophobicContact CD1-CD 4.11Å; L53-K87 HydrophobicContact CG-CB 4.37Å; L53-K87 WeakPolarHBondContact CG-O 3.32Å; L53-I89 HydrophobicContact CD2-CD1 4.2Å |
| 54 | C | 92.3 | Very high | 90.4 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 32% | 0.318 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 4.8 | 174.6 | 64.9 | 0 | 0 | 0 | 0 | 114.6 | S52 H56 C76 C79 A81 | S52-C54 PolarHBondContact O-N 3.01Å; S52-C54 PolarHBondContact OG-SG 3.35Å; C54-H56 PolarHBondContact SG-ND1 3.17Å; C54-C76 VanDerWaalsContact SG-SG 3.6Å; C54-C79 PolarHBondContact SG-SG 3.02Å; C54-A81 HydrophobicContact CB-CB 3.72Å |
| 55 | G | 90.6 | Very high | 90.6 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 55% | 0.546 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 87 | 0.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | S52 L53 | S52-G55 PolarHBondContact O-N 3.29Å; L53-G55 VanDerWaalsContact C-N 3.27Å; L53-G55 PolarHBondContact O-N 3.34Å |
| 56 | H | 92.8 | Very high | 90.9 | Very high | 44 Ų | 44 | 49.9 Ų | 49.9 | 20% | 0.204 | 27% | 0.267 | C | S | . | . | trans | -84.3 | 138 | 178.2 | -62.5 | 89.3 | 0 | 0 | 0 | 111.5 | S52 C54 F58 V78 C79 | S52-H56 PolarHBondContact N-O 2.91Å; S52-H56 PolarHBondContact OG-N 3.24Å; S52-H56 VanDerWaalsContact OG-N 3.13Å; S52-H56 PolarHBondContact OG-O 3.05Å; C54-H56 PolarHBondContact SG-ND1 3.17Å; H56-F58 HydrophobicContact CB-CE2 3.52Å; H56-F58 HydrophobicContact CB-CZ 3.49Å; H56-F58 VanDerWaalsContact CB-CZ 3.49Å; H56-F58 WeakPolarHBondContact O-CE2 3.46Å; H56-V78 HydrophobicContact CB-CG2 4.46Å; H56-V78 VanDerWaalsContact CD2-CB 3.4Å; H56-V78 WeakPolarHBondContact CD2-CB 3.48Å; H56-V78 VanDerWaalsContact CD2-CG1 3.43Å; H56-V78 WeakPolarHBondContact CD2-CG1 3.46Å; H56-V78 WeakPolarHBondContact NE2-CG1 3.5Å; H56-C79 VanDerWaalsContact CE1-CB 3.47Å; H56-C79 WeakPolarHBondContact CE1-CB 2.98Å; H56-C79 PolarHBondContact CE1-SG 2.96Å; H56-C79 PolarHBondContact ND1-SG 3.42Å | ||
| 57 | L | 91.7 | Very high | 91.2 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.4 | -175.5 | -167.9 | 149.8 | 0 | 0 | 0 | 111.6 | F37 E38 N40 A46 A49 V50 I51 L91 | F37-L57 HydrophobicContact CB-CD1 3.76Å; F37-L57 HydrophobicContact CB-CD2 4.07Å; F37-L57 HydrophobicContact CD1-CD1 3.5Å; F37-L57 HydrophobicContact CE1-CD1 4.42Å; F37-L57 HydrophobicContact CG-CD1 3.94Å; E38-L57 WeakPolarHBondContact O-CD2 3.42Å; N40-L57 PolarHBondContact N-O 3.37Å; N40-L57 PolarHBondContact ND2-O 3.18Å; A46-L57 HydrophobicContact CB-CD2 3.39Å; A49-L57 HydrophobicContact CB-CD1 4.41Å; A49-L57 HydrophobicContact CB-CD2 4.13Å; A49-L57 HydrophobicContact CB-CG 4.37Å; V50-L57 WeakPolarHBondContact O-CA 3.23Å; I51-L57 HydrophobicContact CD1-CD1 4.49Å; I51-L57 HydrophobicContact CG1-CB 4.3Å; I51-L57 HydrophobicContact CG1-CD1 4.2Å; I51-L57 HydrophobicContact CG1-CG 4.31Å; L57-L91 HydrophobicContact CD1-CD1 3.71Å |
| 58 | F | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 160.1 | -179.8 | -50.4 | -79.2 | 0 | 0 | 0 | 111.3 | C39 N40 I41 A49 V50 H56 L63 P77 V78 | C39-F58 VanDerWaalsContact SG-CA 3.6Å; N40-F58 HydrophobicContact CB-CD1 4Å; N40-F58 HydrophobicContact CB-CE1 3.62Å; I41-F58 HydrophobicContact CD1-CB 4.32Å; I41-F58 HydrophobicContact CD1-CD1 3.53Å; I41-F58 HydrophobicContact CD1-CE1 4.14Å; I41-F58 HydrophobicContact CD1-CG 4.14Å; I41-F58 HydrophobicContact CG1-CD1 3.65Å; I41-F58 HydrophobicContact CG1-CE1 4.02Å; A49-F58 WeakPolarHBondContact CA-O 3.18Å; V50-F58 HydrophobicContact CG2-CB 4.32Å; V50-F58 WeakPolarHBondContact CG2-O 3.34Å; V50-F58 PolarHBondContact N-O 3.04Å; V50-F58 PolarHBondContact O-N 3.4Å; H56-F58 HydrophobicContact CB-CE2 3.52Å; H56-F58 HydrophobicContact CB-CZ 3.49Å; H56-F58 VanDerWaalsContact CB-CZ 3.49Å; H56-F58 WeakPolarHBondContact O-CE2 3.46Å; F58-L63 HydrophobicContact CB-CB 4.06Å; F58-L63 HydrophobicContact CD2-CD1 4.12Å; F58-L63 HydrophobicContact CD2-CD2 4.27Å; F58-L63 HydrophobicContact CE2-CD1 4.48Å; F58-L63 HydrophobicContact CG-CD1 4.42Å; F58-P77 HydrophobicContact CE1-CB 4.34Å; F58-P77 HydrophobicContact CE1-CG 3.89Å; F58-P77 HydrophobicContact CZ-CG 4.09Å; F58-V78 HydrophobicContact CE1-CG2 4.14Å; F58-V78 HydrophobicContact CZ-CG2 4.09Å |
| 59 | C | 92.2 | Very high | 91.7 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 5% | 0.047 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 139.7 | 160.6 | -57.2 | 0 | 0 | 0 | 0 | 109.1 | C39 C42 A46 K47 P61 C62 L63 | C39-C59 WeakPolarHBondContact CB-SG 3.08Å; C39-C59 PolarHBondContact SG-N 3.08Å; C42-C59 VanDerWaalsContact SG-SG 3.7Å; A46-C59 VanDerWaalsContact CA-SG 3.59Å; K47-C59 WeakPolarHBondContact O-CA 3.43Å; K47-C59 WeakPolarHBondContact O-CB 3.45Å; C59-P61 HydrophobicContact CB-CG 4.12Å; C59-C62 HydrophobicContact CB-CB 4.05Å; C59-C62 PolarHBondContact O-N 3.42Å; C59-C62 VanDerWaalsContact O-N 3.17Å; C59-L63 PolarHBondContact O-N 3.02Å |
| 60 | W | 92.1 | Very high | 91.6 | Very high | 84 Ų | 84 | 50.9 Ų | 50.9 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -48.6 | -51.6 | 172 | 177.3 | -118.1 | 0 | 0 | 0 | 114.1 | D48 V50 C62 L63 H64 R85 V88 | D48-W60 HydrophobicContact CB-CB 4Å; D48-W60 PolarHBondContact O-N 3.15Å; V50-W60 HydrophobicContact CG1-CB 4.13Å; V50-W60 HydrophobicContact CG1-CE3 3.91Å; V50-W60 HydrophobicContact CG2-CE3 4.35Å; W60-C62 VanDerWaalsContact C-N 3.32Å; W60-C62 PolarHBondContact O-N 3.26Å; W60-L63 PolarHBondContact O-N 3.17Å; W60-H64 VanDerWaalsContact O-CB 3.24Å; W60-H64 WeakPolarHBondContact O-CB 3.09Å; W60-H64 PolarHBondContact O-N 2.98Å; W60-R85 HydrophobicContact CH2-CG 3.93Å; W60-V88 HydrophobicContact CE3-CG2 4.36Å; W60-V88 HydrophobicContact CH2-CG2 4.42Å; W60-V88 HydrophobicContact CZ3-CG2 3.6Å |
| 61 | P | 92.8 | Very high | 91.1 | Very high | 76 Ų | 76 | 54.7 Ų | 54.7 | 49% | 0.494 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 180 | 23.8 | -35.3 | 0 | 0 | 0 | 113.2 | C59 Q65 | C59-P61 HydrophobicContact CB-CG 4.12Å; P61-Q65 WeakPolarHBondContact O-CB 3.21Å; P61-Q65 PolarHBondContact O-N 2.76Å |
| 62 | C | 93.4 | Very high | 90.7 | Very high | 29 Ų | 29 | 60.3 Ų | 60.3 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 178.5 | -65 | 0 | 0 | 0 | 0 | 111.5 | I41 C59 W60 W66 | I41-C62 HydrophobicContact CB-CB 3.9Å; I41-C62 HydrophobicContact CD1-CB 3.75Å; I41-C62 HydrophobicContact CG1-CB 4.44Å; I41-C62 HydrophobicContact CG2-CB 3.87Å; C59-C62 HydrophobicContact CB-CB 4.05Å; C59-C62 PolarHBondContact O-N 3.42Å; C59-C62 VanDerWaalsContact O-N 3.17Å; W60-C62 VanDerWaalsContact C-N 3.32Å; W60-C62 PolarHBondContact O-N 3.26Å; C62-W66 PolarHBondContact O-N 2.96Å |
| 63 | L | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 178.6 | -175.4 | 62 | 0 | 0 | 0 | 111.6 | V50 F58 C59 W60 W66 L67 I83 V88 | V50-L63 HydrophobicContact CG2-CB 4.33Å; V50-L63 HydrophobicContact CG2-CD2 3.75Å; F58-L63 HydrophobicContact CB-CB 4.06Å; F58-L63 HydrophobicContact CD2-CD1 4.12Å; F58-L63 HydrophobicContact CD2-CD2 4.27Å; F58-L63 HydrophobicContact CE2-CD1 4.48Å; F58-L63 HydrophobicContact CG-CD1 4.42Å; C59-L63 PolarHBondContact O-N 3.02Å; W60-L63 PolarHBondContact O-N 3.17Å; L63-W66 WeakPolarHBondContact O-CB 3.41Å; L63-W66 PolarHBondContact O-N 2.93Å; L63-L67 HydrophobicContact CG-CD1 4.21Å; L63-L67 WeakPolarHBondContact O-CG 3.1Å; L63-L67 PolarHBondContact O-N 3.4Å; L63-I83 HydrophobicContact CD1-CD1 4.05Å; L63-I83 HydrophobicContact CD2-CD1 3.89Å; L63-V88 HydrophobicContact CD2-CG1 3.69Å |
| 64 | H | 92 | Very high | 90.3 | Very high | 42 Ų | 42 | 66.6 Ų | 66.6 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.9 | -52.3 | 176.3 | -175.1 | -84.4 | 0 | 0 | 0 | 111.9 | W60 W66 L67 E68 R85 | W60-H64 VanDerWaalsContact O-CB 3.24Å; W60-H64 WeakPolarHBondContact O-CB 3.09Å; W60-H64 PolarHBondContact O-N 2.98Å; H64-W66 PolarHBondContact O-N 3.49Å; H64-L67 PolarHBondContact O-N 2.91Å; H64-L67 VanDerWaalsContact O-N 3.14Å; H64-E68 IonicContact CE1-OE1 3.29Å; H64-E68 PolarHBondContact CE1-OE1 3.14Å; H64-E68 IonicContact CE1-OE2 3.64Å; H64-E68 PolarHBondContact CE1-OE2 3.35Å; H64-E68 VanDerWaalsContact CE1-OE2 3.29Å; H64-E68 VanDerWaalsContact ND1-CD 3.27Å; H64-E68 IonicContact ND1-OE1 3.1Å; H64-E68 PolarHBondContact ND1-OE1 3.47Å; H64-E68 IonicContact ND1-OE2 2.83Å; H64-E68 PolarHBondContact ND1-OE2 2.88Å; H64-E68 VanDerWaalsContact ND1-OE2 3.1Å; H64-E68 IonicContact NE2-OE1 3.45Å; H64-E68 WeakPolarHBondContact O-CG 3.47Å; H64-E68 PolarHBondContact O-N 2.8Å; H64-R85 PolarHBondContact CD2-NH1 3.34Å; H64-R85 PolarHBondContact CD2-NH2 2.81Å; H64-R85 PolarHBondContact NE2-NH1 2.98Å; H64-R85 PolarHBondContact NE2-NH2 2.98Å |
| 65 | Q | 93.1 | Very high | 90.3 | Very high | 118 Ų | 118 | 66.5 Ų | 66.5 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -56.8 | -39.5 | 177.3 | -173.6 | 67.1 | 25.8 | 0 | 0 | 111.7 | P61 T69 | P61-Q65 WeakPolarHBondContact O-CB 3.21Å; P61-Q65 PolarHBondContact O-N 2.76Å; Q65-T69 WeakPolarHBondContact O-CB 3.17Å; Q65-T69 PolarHBondContact O-N 2.93Å; Q65-T69 PolarHBondContact O-OG1 2.87Å |
| 66 | W | 91.9 | Very high | 90.4 | Very high | 59 Ų | 59 | 64 Ų | 64 | 22% | 0.223 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 177.5 | 177.9 | -98.9 | 0 | 0 | 0 | 112.7 | C62 L63 H64 T69 R70 V75 P77 | C62-W66 PolarHBondContact O-N 2.96Å; L63-W66 WeakPolarHBondContact O-CB 3.41Å; L63-W66 PolarHBondContact O-N 2.93Å; H64-W66 PolarHBondContact O-N 3.49Å; W66-T69 PolarHBondContact O-N 3.27Å; W66-R70 VanDerWaalsContact CZ2-NH1 3.28Å; W66-R70 PolarHBondContact O-N 3.21Å; W66-V75 PolarHBondContact NE1-O 2.96Å; W66-P77 HydrophobicContact CD2-CG 4.04Å; W66-P77 HydrophobicContact CG-CG 4.17Å; W66-P77 HydrophobicContact CH2-CB 4.47Å; W66-P77 HydrophobicContact CZ2-CB 4.16Å; W66-P77 HydrophobicContact CZ2-CG 4.19Å |
| 67 | L | 90.4 | Very high | 90.3 | Very high | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.1 | -34.8 | 180 | -64.8 | 172.3 | 0 | 0 | 0 | 112.3 | L63 H64 R70 Q74 I83 R85 | L63-L67 HydrophobicContact CG-CD1 4.21Å; L63-L67 WeakPolarHBondContact O-CG 3.1Å; L63-L67 PolarHBondContact O-N 3.4Å; H64-L67 PolarHBondContact O-N 2.91Å; H64-L67 VanDerWaalsContact O-N 3.14Å; L67-R70 CarbonylContact O-C 3.53Å; L67-R70 PolarHBondContact O-N 3.16Å; L67-Q74 HydrophobicContact CD2-CB 4.2Å; L67-I83 HydrophobicContact CD2-CG2 3.67Å; L67-R85 HydrophobicContact CD1-CB 4.47Å |
| 68 | E | 90.6 | Very high | 90.3 | Very high | 106 Ų | 106 | 66.3 Ų | 66.3 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.5 | -37.5 | 175.9 | -72.7 | -176.8 | 149.9 | 0 | 0 | 112.8 | H64 R70 | H64-E68 IonicContact CE1-OE1 3.29Å; H64-E68 PolarHBondContact CE1-OE1 3.14Å; H64-E68 IonicContact CE1-OE2 3.64Å; H64-E68 PolarHBondContact CE1-OE2 3.35Å; H64-E68 VanDerWaalsContact CE1-OE2 3.29Å; H64-E68 VanDerWaalsContact ND1-CD 3.27Å; H64-E68 IonicContact ND1-OE1 3.1Å; H64-E68 PolarHBondContact ND1-OE1 3.47Å; H64-E68 IonicContact ND1-OE2 2.83Å; H64-E68 PolarHBondContact ND1-OE2 2.88Å; H64-E68 VanDerWaalsContact ND1-OE2 3.1Å; H64-E68 IonicContact NE2-OE1 3.45Å; H64-E68 WeakPolarHBondContact O-CG 3.47Å; H64-E68 PolarHBondContact O-N 2.8Å; E68-R70 PolarHBondContact O-N 2.82Å |
| 69 | T | 89.4 | Confident | 90.2 | Very high | 91 Ų | 91 | 69.1 Ų | 69.1 | 56% | 0.558 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.3 | -25 | 177.5 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | Q65 W66 | Q65-T69 WeakPolarHBondContact O-CB 3.17Å; Q65-T69 PolarHBondContact O-N 2.93Å; Q65-T69 PolarHBondContact O-OG1 2.87Å; W66-T69 PolarHBondContact O-N 3.27Å |
| 70 | R | 85.9 | Confident | 90.2 | Very high | 115 Ų | 115 | 76.6 Ų | 76.6 | 43% | 0.434 | 38% | 0.382 | S | S | . | . | trans | -134.3 | 66.7 | -172.8 | -60.2 | 179.7 | -173.8 | -172 | 2.7 | 112.1 | W66 L67 E68 N72 R73 | W66-R70 VanDerWaalsContact CZ2-NH1 3.28Å; W66-R70 PolarHBondContact O-N 3.21Å; L67-R70 CarbonylContact O-C 3.53Å; L67-R70 PolarHBondContact O-N 3.16Å; E68-R70 PolarHBondContact O-N 2.82Å; R70-N72 VanDerWaalsContact C-N 3.27Å; R70-N72 PolarHBondContact O-N 3.2Å; R70-R73 CarbonylContact O-C 3.34Å; R70-R73 PolarHBondContact O-N 2.96Å | ||
| 71 | P | 81.9 | Confident | 90.1 | Very high | 87 Ų | 87 | 74.4 Ų | 74.4 | 57% | 0.565 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -34.1 | -175.9 | 25.3 | -33.9 | 0 | 0 | 0 | 112.6 | R73 | P71-R73 VanDerWaalsContact C-N 3.28Å; P71-R73 PolarHBondContact O-N 2.8Å |
| 72 | N | 83.6 | Confident | 89.9 | Confident | 161 Ų | 161 | 74.1 Ų | 74.1 | 86% | 0.861 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -10.6 | 178.9 | -66 | -29.3 | 0 | 0 | 0 | 113.9 | R70 | R70-N72 VanDerWaalsContact C-N 3.27Å; R70-N72 PolarHBondContact O-N 3.2Å |
| 73 | R | 84.2 | Confident | 89.7 | Confident | 187 Ų | 187 | 73.4 Ų | 73.4 | 71% | 0.706 | 39% | 0.387 | S | S | * | . | trans | -139.1 | 78.1 | -175.8 | -67.5 | -171.5 | -178.4 | 176.2 | 1.6 | 110.4 | R70 P71 V75 | R70-R73 CarbonylContact O-C 3.34Å; R70-R73 PolarHBondContact O-N 2.96Å; P71-R73 VanDerWaalsContact C-N 3.28Å; P71-R73 PolarHBondContact O-N 2.8Å; R73-V75 VanDerWaalsContact C-N 3.28Å; R73-V75 PolarHBondContact O-N 2.91Å | ||
| 74 | Q | 89.1 | Confident | 89.5 | Confident | 65 Ų | 65 | 74.7 Ų | 74.7 | 30% | 0.304 | 40% | 0.396 | S | S | . | . | trans | -78.9 | 80.8 | 174.9 | -53.8 | -108.2 | -41.5 | 0 | 0 | 109.6 | L67 G82 I83 | L67-Q74 HydrophobicContact CD2-CB 4.2Å; Q74-G82 WeakPolarHBondContact O-CA 3.39Å; Q74-I83 WeakPolarHBondContact CB-O 3.33Å; Q74-I83 PolarHBondContact O-N 3.36Å | ||
| 75 | V | 92.4 | Very high | 89.1 | Confident | 44 Ų | 44 | 78 Ų | 78 | 27% | 0.267 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -126.2 | 147.1 | -177.3 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | W66 R73 A81 | W66-V75 PolarHBondContact NE1-O 2.96Å; R73-V75 VanDerWaalsContact C-N 3.28Å; R73-V75 PolarHBondContact O-N 2.91Å; V75-A81 CarbonylContact C-O 3.36Å; V75-A81 WeakPolarHBondContact CA-O 3.22Å |
| 76 | C | 92.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.007 | 42% | 0.419 | C | S | . | . | trans | -60.6 | 132.1 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | C54 V78 C79 K80 A81 | C54-C76 VanDerWaalsContact SG-SG 3.6Å; C76-V78 PolarHBondContact O-N 3.23Å; C76-V78 PolarHBondContact SG-N 2.81Å; C76-C79 VanDerWaalsContact SG-SG 3.66Å; C76-K80 WeakPolarHBondContact O-CA 3.45Å; C76-K80 PolarHBondContact O-N 2.98Å; C76-A81 HydrophobicContact CB-CB 4.49Å; C76-A81 PolarHBondContact N-O 3.4Å | ||
| 77 | P | 90.2 | Very high | 88.4 | Confident | 41 Ų | 41 | 83 Ų | 83 | 27% | 0.266 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.6 | 176.2 | -22.9 | 29.9 | 0 | 0 | 0 | 114.1 | I41 F58 W66 | I41-P77 HydrophobicContact CD1-CG 4.16Å; I41-P77 HydrophobicContact CG1-CG 4.23Å; F58-P77 HydrophobicContact CE1-CB 4.34Å; F58-P77 HydrophobicContact CE1-CG 3.89Å; F58-P77 HydrophobicContact CZ-CG 4.09Å; W66-P77 HydrophobicContact CD2-CG 4.04Å; W66-P77 HydrophobicContact CG-CG 4.17Å; W66-P77 HydrophobicContact CH2-CB 4.47Å; W66-P77 HydrophobicContact CZ2-CB 4.16Å; W66-P77 HydrophobicContact CZ2-CG 4.19Å |
| 78 | V | 91.5 | Very high | 88.3 | Confident | 70 Ų | 70 | 83.6 Ų | 83.6 | 42% | 0.424 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -61.8 | -173.3 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | N40 H56 F58 C76 | N40-V78 HydrophobicContact CB-CG2 3.78Å; H56-V78 HydrophobicContact CB-CG2 4.46Å; H56-V78 VanDerWaalsContact CD2-CB 3.4Å; H56-V78 WeakPolarHBondContact CD2-CB 3.48Å; H56-V78 VanDerWaalsContact CD2-CG1 3.43Å; H56-V78 WeakPolarHBondContact CD2-CG1 3.46Å; H56-V78 WeakPolarHBondContact NE2-CG1 3.5Å; F58-V78 HydrophobicContact CE1-CG2 4.14Å; F58-V78 HydrophobicContact CZ-CG2 4.09Å; C76-V78 PolarHBondContact O-N 3.23Å; C76-V78 PolarHBondContact SG-N 2.81Å |
| 79 | C | 91.2 | Very high | 88.3 | Confident | 58 Ų | 58 | 82.9 Ų | 82.9 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -0.3 | -173.4 | 66.9 | 0 | 0 | 0 | 0 | 114.8 | C54 H56 C76 A81 | C54-C79 PolarHBondContact SG-SG 3.02Å; H56-C79 VanDerWaalsContact CE1-CB 3.47Å; H56-C79 WeakPolarHBondContact CE1-CB 2.98Å; H56-C79 PolarHBondContact CE1-SG 2.96Å; H56-C79 PolarHBondContact ND1-SG 3.42Å; C76-C79 VanDerWaalsContact SG-SG 3.66Å; C79-A81 PolarHBondContact O-N 3.1Å; C79-A81 VanDerWaalsContact O-N 3.08Å; C79-A81 VanDerWaalsContact SG-CB 3.56Å |
| 80 | K | 92.1 | Very high | 88.2 | Confident | 165 Ų | 165 | 81.3 Ų | 81.3 | 72% | 0.717 | 43% | 0.429 | S | S | * | . | trans | 61.6 | 11.8 | -178.8 | -46.3 | -176.2 | -176 | -167.8 | 0 | 115.5 | C76 | C76-K80 WeakPolarHBondContact O-CA 3.45Å; C76-K80 PolarHBondContact O-N 2.98Å | ||
| 81 | A | 89.6 | Confident | 88.1 | Confident | 37 Ų | 37 | 78.6 Ų | 78.6 | 31% | 0.306 | 42% | 0.423 | S | S | . | . | trans | -60.8 | 146.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | C54 V75 C76 C79 I83 | C54-A81 HydrophobicContact CB-CB 3.72Å; V75-A81 CarbonylContact C-O 3.36Å; V75-A81 WeakPolarHBondContact CA-O 3.22Å; C76-A81 HydrophobicContact CB-CB 4.49Å; C76-A81 PolarHBondContact N-O 3.4Å; C79-A81 PolarHBondContact O-N 3.1Å; C79-A81 VanDerWaalsContact O-N 3.08Å; C79-A81 VanDerWaalsContact SG-CB 3.56Å; A81-I83 PolarHBondContact O-N 3.02Å | ||
| 82 | G | 89.3 | Confident | 87.9 | Confident | 70 Ų | 70 | 84.4 Ų | 84.4 | 72% | 0.722 | 44% | 0.435 | S | S | * | . | B | Isolated β-bridge | trans | -61.1 | 122.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q74 | Q74-G82 WeakPolarHBondContact O-CA 3.39Å |
| 83 | I | 90.4 | Very high | 87.1 | Confident | 14 Ų | 14 | 78.1 Ų | 78.1 | 7% | 0.072 | 41% | 0.409 | C | S | . | . | trans | -120.3 | 154.5 | 176.2 | -167.4 | 170.2 | 0 | 0 | 0 | 108.2 | S52 L63 L67 Q74 A81 V88 | S52-I83 VanDerWaalsContact CB-CD1 3.4Å; L63-I83 HydrophobicContact CD1-CD1 4.05Å; L63-I83 HydrophobicContact CD2-CD1 3.89Å; L67-I83 HydrophobicContact CD2-CG2 3.67Å; Q74-I83 WeakPolarHBondContact CB-O 3.33Å; Q74-I83 PolarHBondContact O-N 3.36Å; A81-I83 PolarHBondContact O-N 3.02Å; I83-V88 HydrophobicContact CD1-CG1 3.94Å; I83-V88 HydrophobicContact CG1-CG1 4.15Å | ||
| 84 | S | 86.8 | Confident | 86 | Confident | 27 Ų | 27 | 82.2 Ų | 82.2 | 19% | 0.189 | 42% | 0.424 | C | S | . | . | trans | -140.2 | 150.4 | 169.9 | 57.4 | 0 | 0 | 0 | 0 | 108.9 | D86 K87 | S84-D86 PolarHBondContact O-N 2.82Å; S84-D86 VanDerWaalsContact O-N 3.15Å; S84-K87 PolarHBondContact O-N 3.13Å; S84-K87 WeakPolarHBondContact OG-CB 3.36Å; S84-K87 WeakPolarHBondContact OG-CD 3.43Å; S84-K87 WeakPolarHBondContact OG-CG 3.43Å | ||
| 85 | R | 85.3 | Confident | 84.3 | Confident | 113 Ų | 113 | 82.3 Ų | 82.3 | 43% | 0.426 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -52.8 | -36.7 | -178.8 | -169.5 | -172.3 | 178.9 | 113.3 | 2.7 | 113 | W60 H64 L67 K87 V88 | W60-R85 HydrophobicContact CH2-CG 3.93Å; H64-R85 PolarHBondContact CD2-NH1 3.34Å; H64-R85 PolarHBondContact CD2-NH2 2.81Å; H64-R85 PolarHBondContact NE2-NH1 2.98Å; H64-R85 PolarHBondContact NE2-NH2 2.98Å; L67-R85 HydrophobicContact CD1-CB 4.47Å; R85-K87 VanDerWaalsContact C-N 3.33Å; R85-K87 PolarHBondContact O-N 3.01Å; R85-V88 VanDerWaalsContact O-CG2 3.23Å; R85-V88 WeakPolarHBondContact O-CG2 3.27Å |
| 86 | D | 84.3 | Confident | 82.5 | Confident | 151 Ų | 151 | 83.9 Ų | 83.9 | 81% | 0.807 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -83.3 | -7.3 | -177.5 | -44.7 | -69.8 | 0 | 0 | 0 | 113.9 | S84 | S84-D86 PolarHBondContact O-N 2.82Å; S84-D86 VanDerWaalsContact O-N 3.15Å |
| 87 | K | 84.8 | Confident | 80.8 | Confident | 129 Ų | 129 | 91.2 Ų | 91.2 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -111 | 19.1 | -176.1 | -64.6 | -177.7 | -164.5 | -179.3 | 0 | 113 | L53 S84 R85 | L53-K87 HydrophobicContact CD1-CB 4Å; L53-K87 HydrophobicContact CD1-CD 4.11Å; L53-K87 HydrophobicContact CG-CB 4.37Å; L53-K87 WeakPolarHBondContact CG-O 3.32Å; S84-K87 PolarHBondContact O-N 3.13Å; S84-K87 WeakPolarHBondContact OG-CB 3.36Å; S84-K87 WeakPolarHBondContact OG-CD 3.43Å; S84-K87 WeakPolarHBondContact OG-CG 3.43Å; R85-K87 VanDerWaalsContact C-N 3.33Å; R85-K87 PolarHBondContact O-N 3.01Å |
| 88 | V | 89.3 | Confident | 79.4 | Confident | 23 Ų | 23 | 92.9 Ų | 92.9 | 14% | 0.139 | 53% | 0.525 | C | S | . | . | trans | -93.1 | 140.9 | 173.5 | -65.6 | 0 | 0 | 0 | 0 | 110.2 | W60 L63 I83 R85 | W60-V88 HydrophobicContact CE3-CG2 4.36Å; W60-V88 HydrophobicContact CH2-CG2 4.42Å; W60-V88 HydrophobicContact CZ3-CG2 3.6Å; L63-V88 HydrophobicContact CD2-CG1 3.69Å; I83-V88 HydrophobicContact CD1-CG1 3.94Å; I83-V88 HydrophobicContact CG1-CG1 4.15Å; R85-V88 VanDerWaalsContact O-CG2 3.23Å; R85-V88 WeakPolarHBondContact O-CG2 3.27Å | ||
| 89 | I | 89.4 | Confident | 77.8 | Confident | 91 Ų | 91 | 97.4 Ų | 97.4 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113 | -177.9 | -57.6 | 169.4 | 0 | 0 | 0 | 107.2 | I51 L53 | I51-I89 PolarHBondContact N-O 3.34Å; I51-I89 PolarHBondContact O-N 3.25Å; L53-I89 HydrophobicContact CD2-CD1 4.2Å |
| 90 | P | 88.2 | Confident | 76.1 | Confident | 59 Ų | 59 | 103.4 Ų | 103.4 | 38% | 0.383 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.6 | 135.8 | 174.9 | 28.3 | -32.8 | 0 | 0 | 0 | 110.3 | V50 Y92 | V50-P90 HydrophobicContact CG1-CB 4.48Å; P90-Y92 HydrophobicContact CB-CE1 4.48Å; P90-Y92 HydrophobicContact CB-CE2 4.02Å; P90-Y92 HydrophobicContact CG-CE2 3.87Å |
| 91 | L | 84.1 | Confident | 74.4 | Confident | 57 Ų | 57 | 99.8 Ų | 99.8 | 30% | 0.298 | 55% | 0.552 | S | S | . | * | trans | -99 | 118.1 | 173.6 | -72.1 | -171.2 | 0 | 0 | 0 | 110.5 | A49 I51 L57 | A49-L91 HydrophobicContact CB-CB 4.2Å; A49-L91 PolarHBondContact O-N 2.89Å; I51-L91 HydrophobicContact CB-CG 4.49Å; I51-L91 HydrophobicContact CD1-CD1 3.47Å; I51-L91 VanDerWaalsContact CD1-CD1 3.47Å; I51-L91 HydrophobicContact CD1-CD2 4Å; I51-L91 HydrophobicContact CD1-CG 3.89Å; I51-L91 HydrophobicContact CG1-CD1 3.65Å; I51-L91 HydrophobicContact CG1-CD2 4.38Å; I51-L91 HydrophobicContact CG1-CG 3.85Å; L57-L91 HydrophobicContact CD1-CD1 3.71Å | ||
| 92 | Y | 76.6 | Confident | 72.9 | Confident | 209 Ų | 209 | 102.5 Ų | 102.5 | 82% | 0.82 | 57% | 0.567 | S | S | * | * | trans | -99.9 | 88.5 | 169.3 | -52.8 | -71.8 | 0 | 0 | 0 | 108.1 | P90 | P90-Y92 HydrophobicContact CB-CE1 4.48Å; P90-Y92 HydrophobicContact CB-CE2 4.02Å; P90-Y92 HydrophobicContact CG-CE2 3.87Å | ||
| 93 | G | 66.5 | Low | 71.4 | Confident | 30 Ų | 30 | 108.7 Ų | 108.7 | 31% | 0.309 | 57% | 0.569 | S | S | . | * | trans | -81.6 | 145.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G95 S96 | G93-G95 PolarHBondContact O-N 2.92Å; G93-S96 PolarHBondContact O-N 3.25Å | ||
| 94 | R | 61.8 | Low | 69.9 | Low | 273 Ų | 273 | 116.9 Ų | 116.9 | 100% | 1.03 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 16.8 | 173.8 | -85 | -176 | 164 | 113 | -2.2 | 115.2 | ||
| 95 | G | 53.6 | Low | 68.6 | Low | 67 Ų | 67 | 124.6 Ų | 124.6 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.1 | 12.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G93 T97 | G93-G95 PolarHBondContact O-N 2.92Å; G95-T97 PolarHBondContact O-N 3.12Å; G95-T97 VanDerWaalsContact O-N 3.14Å |
| 96 | S | 54.9 | Low | 67.6 | Low | 76 Ų | 76 | 124 Ų | 124 | 53% | 0.531 | 65% | 0.646 | S | S | . | * | trans | -70 | 109.3 | 167.3 | 56.4 | 0 | 0 | 0 | 0 | 108.2 | G93 G98 | G93-S96 PolarHBondContact O-N 3.25Å; S96-G98 PolarHBondContact O-N 2.91Å | ||
| 97 | T | 56.8 | Low | 66.9 | Low | 155 Ų | 155 | 121.9 Ų | 121.9 | 95% | 0.951 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 84.6 | 177.7 | 42 | 0 | 0 | 0 | 0 | 109.8 | G95 | G95-T97 PolarHBondContact O-N 3.12Å; G95-T97 VanDerWaalsContact O-N 3.14Å |
| 98 | G | 61.5 | Low | 65.9 | Low | 77 Ų | 77 | 121.7 Ų | 121.7 | 79% | 0.794 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163.6 | -9.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | S96 | S96-G98 PolarHBondContact O-N 2.91Š|
| 99 | Q | 56.7 | Low | 64.3 | Low | 165 Ų | 165 | 131.6 Ų | 131.6 | 77% | 0.771 | 69% | 0.687 | S | S | * | * | trans | -98.9 | 96.2 | 170 | -89 | -151.9 | -11.1 | 0 | 0 | 111.1 | D101 | Q99-D101 PolarHBondContact O-N 3.18Š| ||
| 100 | Q | 55.5 | Low | 63.3 | Low | 183 Ų | 183 | 132.8 Ų | 132.8 | 86% | 0.855 | 70% | 0.701 | S | S | * | * | trans | -58.3 | 128.7 | 154.7 | -73.3 | 174.3 | 26.8 | 0 | 0 | 107.9 | P102 | Q100-P102 WeakPolarHBondContact O-CD 3.4Š| ||
| 101 | D | 56.2 | Low | 62 | Low | 89 Ų | 89 | 138.9 Ų | 138.9 | 48% | 0.476 | 72% | 0.724 | S | S | . | * | trans | -62.7 | 115.5 | 176.5 | -170.2 | -18.7 | 0 | 0 | 0 | 109.2 | Q99 R103 E104 | Q99-D101 PolarHBondContact O-N 3.18Å; D101-R103 PolarHBondContact O-N 3.22Å; D101-R103 WeakPolarHBondContact OD1-CB 3.22Å; D101-R103 WeakPolarHBondContact OD1-CD 3.47Å; D101-R103 WeakPolarHBondContact OD1-CG 3.04Å; D101-R103 PolarHBondContact OD1-N 3.08Å; D101-E104 PolarHBondContact O-N 3.46Å | ||
| 102 | P | 58.3 | Low | 61.3 | Low | 94 Ų | 94 | 139.8 Ų | 139.8 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -62.2 | -5.7 | 178.2 | -22.1 | 34.6 | 0 | 0 | 0 | 114.1 | Q100 E104 K105 T106 | Q100-P102 WeakPolarHBondContact O-CD 3.4Å; P102-E104 PolarHBondContact O-N 3Å; P102-K105 PolarHBondContact O-N 2.84Å; P102-T106 PolarHBondContact O-OG1 3.09Å |
| 103 | R | 58.6 | Low | 60.7 | Low | 201 Ų | 201 | 139 Ų | 139 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -71.6 | -14.5 | 174.5 | -63.5 | 175.1 | 84.2 | -167.3 | 4.6 | 113.5 | D101 K105 | D101-R103 PolarHBondContact O-N 3.22Å; D101-R103 WeakPolarHBondContact OD1-CB 3.22Å; D101-R103 WeakPolarHBondContact OD1-CD 3.47Å; D101-R103 WeakPolarHBondContact OD1-CG 3.04Å; D101-R103 PolarHBondContact OD1-N 3.08Å; R103-K105 VanDerWaalsContact C-N 3.33Å |
| 104 | E | 59.9 | Low | 60.6 | Low | 185 Ų | 185 | 147.9 Ų | 147.9 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -81.8 | -10.2 | 172 | -66.9 | -164.3 | 159 | 0 | 0 | 113.4 | D101 P102 | D101-E104 PolarHBondContact O-N 3.46Å; P102-E104 PolarHBondContact O-N 3Å |
| 105 | K | 59.4 | Low | 60.9 | Low | 189 Ų | 189 | 140.2 Ų | 140.2 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -107 | 3.7 | -178.9 | -161.7 | 70.1 | -176.1 | -161.9 | 0 | 114.2 | P102 R103 | P102-K105 PolarHBondContact O-N 2.84Å; R103-K105 VanDerWaalsContact C-N 3.33Å |
| 106 | T | 62.5 | Low | 61.9 | Low | 101 Ų | 101 | 145.8 Ų | 145.8 | 62% | 0.62 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -106.5 | 124.1 | -179.9 | 7 | 0 | 0 | 0 | 0 | 111 | P102 | P102-T106 PolarHBondContact O-OG1 3.09Š|
| 107 | P | 70.8 | Confident | 62.2 | Low | 107 Ų | 107 | 146.8 Ų | 146.8 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 156.1 | 177.5 | 25.2 | -33.7 | 0 | 0 | 0 | 111.1 | R109 | P107-R109 PolarHBondContact O-N 2.75Š|
| 108 | P | 62.8 | Low | 62.9 | Low | 124 Ų | 124 | 147.4 Ų | 147.4 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 129.7 | -175.3 | 21.2 | -32.8 | 0 | 0 | 0 | 111 | ||
| 109 | R | 56 | Low | 63.1 | Low | 232 Ų | 232 | 150.8 Ų | 150.8 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 122.7 | -178 | -170.9 | -178.2 | -151.3 | 130.7 | 4.4 | 109.7 | P107 Q111 | P107-R109 PolarHBondContact O-N 2.75Å; R109-Q111 PolarHBondContact O-N 3.08Å |
| 110 | P | 67.7 | Low | 63.3 | Low | 116 Ų | 116 | 153.8 Ų | 153.8 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 138.2 | 172.7 | 22.7 | -30.9 | 0 | 0 | 0 | 109.3 | G112 | P110-G112 PolarHBondContact O-N 3.19Š|
| 111 | Q | 61.6 | Low | 63.3 | Low | 186 Ų | 186 | 148.1 Ų | 148.1 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 131.6 | 179.4 | -69.1 | -176.5 | -8.6 | 0 | 0 | 109.4 | R109 Q113 | R109-Q111 PolarHBondContact O-N 3.08Å; Q111-Q113 PolarHBondContact O-N 3.23Å; Q111-Q113 VanDerWaalsContact O-N 3.08Å |
| 112 | G | 70.3 | Confident | 63 | Low | 77 Ų | 77 | 147.3 Ų | 147.3 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -66.2 | 109.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P110 R114 | P110-G112 PolarHBondContact O-N 3.19Å; G112-R114 VanDerWaalsContact C-N 3.31Å; G112-R114 PolarHBondContact O-N 2.88Å | ||
| 113 | Q | 62.4 | Low | 62.5 | Low | 191 Ų | 191 | 151 Ų | 151 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -70.9 | 95.1 | 161.2 | -78.5 | -178.7 | -26.3 | 0 | 0 | 107.1 | Q111 P115 | Q111-Q113 PolarHBondContact O-N 3.23Å; Q111-Q113 VanDerWaalsContact O-N 3.08Å; Q113-P115 WeakPolarHBondContact O-CD 3.25Å | ||
| 114 | R | 65.9 | Low | 62.7 | Low | 217 Ų | 217 | 150.8 Ų | 150.8 | 82% | 0.819 | 79% | 0.788 | S | S | * | * | trans | -82.3 | 104.7 | 167.6 | -178 | 176.3 | -173 | 169.1 | 1.8 | 106.9 | G112 E116 | G112-R114 VanDerWaalsContact C-N 3.31Å; G112-R114 PolarHBondContact O-N 2.88Å; R114-E116 PolarHBondContact O-N 3.26Å | ||
| 115 | P | 68 | Low | 62.2 | Low | 112 Ų | 112 | 144.2 Ų | 144.2 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 135.3 | 166 | 24.7 | -31.1 | 0 | 0 | 0 | 108.2 | Q113 | Q113-P115 WeakPolarHBondContact O-CD 3.25Š|
| 116 | E | 74.4 | Confident | 61.2 | Low | 185 Ų | 185 | 142.1 Ų | 142.1 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 133.7 | -179.8 | -148.6 | 150.8 | 86.2 | 0 | 0 | 108.7 | R114 E118 | R114-E116 PolarHBondContact O-N 3.26Å; E116-E118 PolarHBondContact O-N 3.3Å; E116-E118 VanDerWaalsContact O-N 3.1Å |
| 117 | P | 61.3 | Low | 60.1 | Low | 97 Ų | 97 | 141.1 Ų | 141.1 | 63% | 0.63 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 119.4 | 178.2 | 23.7 | -30.9 | 0 | 0 | 0 | 109 | N119 | P117-N119 PolarHBondContact O-N 3.36Å; P117-N119 VanDerWaalsContact O-N 3.08Å |
| 118 | E | 71.4 | Confident | 58.9 | Low | 167 Ų | 167 | 144.9 Ų | 144.9 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 116.4 | 173.1 | -174.5 | 101.5 | 83.4 | 0 | 0 | 109 | E116 R120 | E116-E118 PolarHBondContact O-N 3.3Å; E116-E118 VanDerWaalsContact O-N 3.1Å; E118-R120 HydrophobicContact CG-CG 4.44Å; E118-R120 PolarHBondContact O-N 3.01Å |
| 119 | N | 65.8 | Low | 57.8 | Low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -68.9 | 78.1 | 177.5 | -171.2 | -13 | 0 | 0 | 0 | 109.2 | P117 G121 | P117-N119 PolarHBondContact O-N 3.36Å; P117-N119 VanDerWaalsContact O-N 3.08Å; N119-G121 VanDerWaalsContact C-N 3.28Å; N119-G121 PolarHBondContact O-N 3.19Å; N119-G121 VanDerWaalsContact O-N 3.09Å | ||
| 120 | R | 60.5 | Low | 57.5 | Low | 227 Ų | 227 | 139.6 Ų | 139.6 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -75.2 | 91.3 | 161.3 | -74.9 | -176.3 | 117.7 | 101.9 | -2.9 | 106.5 | E118 | E118-R120 HydrophobicContact CG-CG 4.44Å; E118-R120 PolarHBondContact O-N 3.01Å | ||
| 121 | G | 55.3 | Low | 56.4 | Low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | trans | -50.4 | 153.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | N119 | N119-G121 VanDerWaalsContact C-N 3.28Å; N119-G121 PolarHBondContact O-N 3.19Å; N119-G121 VanDerWaalsContact O-N 3.09Å | ||
| 122 | G | 50.8 | Low | 55.7 | Low | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | trans | 130.1 | 67.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q124 | G122-Q124 PolarHBondContact O-N 3.28Å; G122-Q124 VanDerWaalsContact O-N 3.15Å | ||
| 123 | F | 46.8 | Very low | 54.7 | Low | 170 Ų | 170 | 136 Ų | 136 | 75% | 0.746 | 76% | 0.757 | S | S | * | * | trans | -74.3 | 94.3 | 155.9 | 179.9 | -101.5 | 0 | 0 | 0 | 108.3 | G125 F126 | F123-G125 VanDerWaalsContact CE1-C 3.44Å; F123-G125 WeakPolarHBondContact CZ-O 3.43Å; F123-F126 HydrophobicContact CE1-CB 4.27Å; F123-F126 VanDerWaalsContact CE1-N 3.32Å; F123-F126 HydrophobicContact CZ-CB 4.07Å | ||
| 124 | Q | 62.2 | Low | 54.2 | Low | 198 Ų | 198 | 135.1 Ų | 135.1 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | trans | -97.4 | 94 | 160.1 | -70 | -161.2 | -32.7 | 0 | 0 | 107.9 | G122 | G122-Q124 PolarHBondContact O-N 3.28Å; G122-Q124 VanDerWaalsContact O-N 3.15Å | ||
| 125 | G | 50.4 | Low | 53.6 | Low | 46 Ų | 46 | 131.5 Ų | 131.5 | 47% | 0.474 | 75% | 0.747 | S | S | . | * | S | Bend | trans | 157.1 | 63.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | F123 | F123-G125 VanDerWaalsContact CE1-C 3.44Å; F123-G125 WeakPolarHBondContact CZ-O 3.43Å |
| 126 | F | 38.1 | Very low | 53.2 | Low | 146 Ų | 146 | 132.3 Ų | 132.3 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | trans | -179.6 | 90.1 | 134.9 | -121.1 | -97.6 | 0 | 0 | 0 | 108.2 | F123 | F123-F126 HydrophobicContact CE1-CB 4.27Å; F123-F126 VanDerWaalsContact CE1-N 3.32Å; F123-F126 HydrophobicContact CZ-CB 4.07Å | ||
| 127 | G | 39.9 | Very low | 52.1 | Low | 79 Ų | 79 | 131.8 Ų | 131.8 | 81% | 0.814 | 75% | 0.75 | S | S | * | * | trans | -84.6 | 118.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | G129 | G127-G129 PolarHBondContact O-N 3.47Š| ||
| 128 | F | 44.6 | Very low | 51.5 | Low | 186 Ų | 186 | 131.1 Ų | 131.1 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | trans | -66.9 | 116.7 | 176.5 | -84.7 | -105 | 0 | 0 | 0 | 110.9 | ||||
| 129 | G | 41.3 | Very low | 50.5 | Low | 73 Ų | 73 | 131.2 Ų | 131.2 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -125.4 | 96.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | G127 | G127-G129 PolarHBondContact O-N 3.47Š| ||
| 130 | D | 48.9 | Very low | 49.6 | Very low | 172 Ų | 172 | 127.3 Ų | 127.3 | 92% | 0.92 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 50.6 | 103.4 | 168.5 | -80.7 | -35 | 0 | 0 | 0 | 120.4 | ||
| 131 | G | 45.1 | Very low | 49.6 | Very low | 73 Ų | 73 | 121 Ų | 121 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | 100.4 | 95.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 132 | G | 47 | Very low | 49.1 | Very low | 44 Ų | 44 | 125.6 Ų | 125.6 | 45% | 0.454 | 76% | 0.758 | S | S | . | * | trans | 56.5 | 112 | 135.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 133 | F | 47.8 | Very low | 49.3 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | trans | 40.8 | 103.3 | 144.6 | 16.1 | -95.9 | 0 | 0 | 0 | 118.5 | M135 | F133-M135 PolarHBondContact O-N 3.47Š| ||
| 134 | Q | 53.3 | Low | 49.6 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | trans | -76.7 | 87.3 | 166.7 | 60.7 | -168.3 | 8.6 | 0 | 0 | 111.6 | ||||
| 135 | M | 52.6 | Low | 49.2 | Very low | 142 Ų | 142 | 119.1 Ų | 119.1 | 70% | 0.7 | 73% | 0.729 | S | S | * | * | trans | -83.5 | 110.6 | 167.1 | -62.9 | -88.3 | -173.4 | 0 | 0 | 108.3 | F133 F137 | F133-M135 PolarHBondContact O-N 3.47Å; M135-F137 VanDerWaalsContact C-N 3.33Å; M135-F137 HydrophobicContact CB-CD2 3.96Å; M135-F137 HydrophobicContact CB-CE2 4.33Å; M135-F137 PolarHBondContact O-N 2.71Å | ||
| 136 | S | 59.6 | Low | 49.4 | Very low | 128 Ų | 128 | 123 Ų | 123 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | trans | -78.2 | 83.8 | 171.1 | -63.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 137 | F | 51 | Low | 49.7 | Very low | 174 Ų | 174 | 122.7 Ų | 122.7 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 121.7 | 165 | -90.4 | -98.3 | 0 | 0 | 0 | 109 | M135 I139 | M135-F137 VanDerWaalsContact C-N 3.33Å; M135-F137 HydrophobicContact CB-CD2 3.96Å; M135-F137 HydrophobicContact CB-CE2 4.33Å; M135-F137 PolarHBondContact O-N 2.71Å; F137-I139 PolarHBondContact O-N 2.91Å |
| 138 | G | 49.7 | Very low | 50.1 | Low | 83 Ų | 83 | 123.1 Ų | 123.1 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 125 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 139 | I | 49.7 | Very low | 50.5 | Low | 170 Ų | 170 | 118.7 Ų | 118.7 | 87% | 0.872 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 122.2 | -170.9 | -67.8 | 157.7 | 0 | 0 | 0 | 110.5 | F137 | F137-I139 PolarHBondContact O-N 2.91Š|
| 140 | G | 47.8 | Very low | 51.1 | Low | 67 Ų | 67 | 118.2 Ų | 118.2 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | trans | -154.7 | 70.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | F142 | G140-F142 PolarHBondContact O-N 2.76Å; G140-F142 VanDerWaalsContact O-N 3.14Å | ||
| 141 | A | 59.8 | Low | 51.1 | Low | 93 Ų | 93 | 118.3 Ų | 118.3 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | -75.7 | 93.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 142 | F | 45.3 | Very low | 51.4 | Low | 162 Ų | 162 | 120.4 Ų | 120.4 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | trans | -156 | 135.8 | 158.5 | -120.9 | -91.7 | 0 | 0 | 0 | 108.9 | G140 F144 G145 | G140-F142 PolarHBondContact O-N 2.76Å; G140-F142 VanDerWaalsContact O-N 3.14Å; F142-F144 HydrophobicContact CD1-CD2 4.41Å; F142-F144 PolarHBondContact O-N 3.42Å; F142-G145 PolarHBondContact O-N 3.36Å | ||
| 143 | P | 54 | Low | 51.7 | Low | 108 Ų | 108 | 125.2 Ų | 125.2 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 1.3 | -172.8 | 26.2 | -34.5 | 0 | 0 | 0 | 115.1 | ||
| 144 | F | 53.5 | Low | 51.6 | Low | 154 Ų | 154 | 123.1 Ų | 123.1 | 68% | 0.675 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 6.5 | 173.9 | -57.4 | -73 | 0 | 0 | 0 | 113.9 | F142 I146 F147 | F142-F144 HydrophobicContact CD1-CD2 4.41Å; F142-F144 PolarHBondContact O-N 3.42Å; F144-I146 PolarHBondContact O-N 2.89Å; F144-F147 PolarHBondContact O-N 3.15Å |
| 145 | G | 53.1 | Low | 51.5 | Low | 42 Ų | 42 | 120.8 Ų | 120.8 | 43% | 0.433 | 70% | 0.7 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.9 | -0.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | F142 | F142-G145 PolarHBondContact O-N 3.36Š|
| 146 | I | 54.9 | Low | 51.2 | Low | 129 Ų | 129 | 117.6 Ų | 117.6 | 66% | 0.662 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -13.3 | 174.6 | 36.1 | 173.7 | 0 | 0 | 0 | 113.7 | F144 | F144-I146 PolarHBondContact O-N 2.89Š|
| 147 | F | 45.7 | Very low | 50.9 | Low | 139 Ų | 139 | 122.5 Ų | 122.5 | 61% | 0.61 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -94.4 | -19 | 177.4 | -80.9 | -81.7 | 0 | 0 | 0 | 114.6 | F144 F151 | F144-F147 PolarHBondContact O-N 3.15Å; F147-F151 HydrophobicContact CD1-CE2 4.42Å |
| 148 | A | 47.2 | Very low | 51.4 | Low | 87 Ų | 87 | 119.1 Ų | 119.1 | 72% | 0.719 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -78.9 | -20.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 149 | T | 52.6 | Low | 51.9 | Low | 94 Ų | 94 | 120.5 Ų | 120.5 | 58% | 0.577 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -96.6 | -14.3 | -178.4 | -14.1 | 0 | 0 | 0 | 0 | 113.4 | I153 | T149-I153 WeakPolarHBondContact O-CD1 3.38Å; T149-I153 WeakPolarHBondContact O-CG1 3.36Å |
| 150 | A | 53.8 | Low | 52.4 | Low | 63 Ų | 63 | 118.1 Ų | 118.1 | 52% | 0.521 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -92.1 | -11.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 151 | F | 49.4 | Very low | 53 | Low | 173 Ų | 173 | 116.8 Ų | 116.8 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -116.2 | 15.6 | 178.9 | -70.9 | -72.7 | 0 | 0 | 0 | 114.8 | F147 | F147-F151 HydrophobicContact CD1-CE2 4.42Š|
| 152 | N | 52.2 | Low | 53.4 | Low | 117 Ų | 117 | 117 Ų | 117 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | trans | -144.8 | 55.7 | 173.7 | -138.5 | -90 | 0 | 0 | 0 | 112.6 | ||||
| 153 | I | 52.2 | Low | 54.2 | Low | 145 Ų | 145 | 114.3 Ų | 114.3 | 74% | 0.744 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -103 | 2.1 | 174.9 | -73.7 | 173.3 | 0 | 0 | 0 | 112.6 | T149 | T149-I153 WeakPolarHBondContact O-CD1 3.38Å; T149-I153 WeakPolarHBondContact O-CG1 3.36Å |
| 154 | N | 47.1 | Very low | 54.9 | Low | 143 Ų | 143 | 113 Ų | 113 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -112.9 | -11.9 | 179 | -163 | 69.2 | 0 | 0 | 0 | 117.5 | ||
| 155 | D | 49.7 | Very low | 55.9 | Low | 123 Ų | 123 | 108 Ų | 108 | 66% | 0.658 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -114.8 | 99.7 | 176.6 | -75.3 | -61.8 | 0 | 0 | 0 | 110.2 | R157 | D155-R157 PolarHBondContact O-N 3.21Š|
| 156 | G | 46.8 | Very low | 56.9 | Low | 75 Ų | 75 | 110.5 Ų | 110.5 | 77% | 0.773 | 66% | 0.657 | S | S | * | * | trans | -50.4 | 106.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | P158 | G156-P158 WeakPolarHBondContact O-CD 3.5Š| ||
| 157 | R | 54.3 | Low | 57.5 | Low | 231 Ų | 231 | 110.3 Ų | 110.3 | 87% | 0.872 | 65% | 0.654 | S | S | * | * | trans | -57.5 | 113 | 174.7 | -175.7 | 176 | -175.5 | 132.1 | 0.9 | 107.7 | D155 | D155-R157 PolarHBondContact O-N 3.21Š| ||
| 158 | P | 60.6 | Low | 59 | Low | 103 Ų | 103 | 108 Ų | 108 | 67% | 0.669 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 144.6 | 173.2 | 23.8 | -29.8 | 0 | 0 | 0 | 108.5 | G156 | G156-P158 WeakPolarHBondContact O-CD 3.5Š|
| 159 | P | 60.3 | Low | 60.5 | Low | 113 Ų | 113 | 107.8 Ų | 107.8 | 73% | 0.734 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 146.8 | 177.1 | 24.3 | -33.5 | 0 | 0 | 0 | 109.7 | A161 | P159-A161 PolarHBondContact O-N 3.02Š|
| 160 | P | 60.2 | Low | 61.8 | Low | 120 Ų | 120 | 107.5 Ų | 107.5 | 78% | 0.779 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 129.3 | 178.4 | 21.7 | -32.3 | 0 | 0 | 0 | 109.8 | V162 | P160-V162 PolarHBondContact O-N 3.21Š|
| 161 | A | 61.2 | Low | 62.9 | Low | 38 Ų | 38 | 110 Ų | 110 | 31% | 0.314 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 126.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P159 Y168 | P159-A161 PolarHBondContact O-N 3.02Å; A161-Y168 HydrophobicContact CB-CD2 4.14Å |
| 162 | V | 67.6 | Low | 64.4 | Low | 98 Ų | 98 | 105.4 Ų | 105.4 | 59% | 0.594 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 132 | -179.3 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | P160 G164 T165 | P160-V162 PolarHBondContact O-N 3.21Å; V162-G164 PolarHBondContact O-N 3.44Å; V162-T165 HydrophobicContact CB-CG2 4.22Å; V162-T165 PolarHBondContact O-N 3.09Å; V162-T165 PolarHBondContact O-OG1 3.46Å |
| 163 | P | 61.8 | Low | 66.1 | Low | 105 Ų | 105 | 106.5 Ų | 106.5 | 68% | 0.682 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | 125.2 | 177.5 | -26.3 | 34.1 | 0 | 0 | 0 | 111.4 | ||
| 164 | G | 68.5 | Low | 67.8 | Low | 81 Ų | 81 | 103.1 Ų | 103.1 | 84% | 0.835 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.5 | -1.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V162 | V162-G164 PolarHBondContact O-N 3.44Š|
| 165 | T | 75.8 | Confident | 69.6 | Low | 50 Ų | 50 | 99.2 Ų | 99.2 | 31% | 0.307 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -85.6 | 148.3 | 171.3 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | V162 Q167 Y168 | V162-T165 HydrophobicContact CB-CG2 4.22Å; V162-T165 PolarHBondContact O-N 3.09Å; V162-T165 PolarHBondContact O-OG1 3.46Å; T165-Q167 PolarHBondContact O-N 2.91Å; T165-Y168 WeakPolarHBondContact O-CB 3.19Å; T165-Y168 PolarHBondContact O-N 3.45Å |
| 166 | P | 72.7 | Confident | 71.4 | Confident | 93 Ų | 93 | 102.2 Ų | 102.2 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.6 | -27.6 | 176.5 | 21.9 | -32.3 | 0 | 0 | 0 | 112.8 | Y168 V169 D170 | P166-Y168 VanDerWaalsContact C-N 3.28Å; P166-Y168 PolarHBondContact O-N 3.18Å; P166-V169 WeakPolarHBondContact O-CG2 3.34Å; P166-V169 PolarHBondContact O-N 3.39Å; P166-D170 PolarHBondContact O-N 3.15Å |
| 167 | Q | 67.6 | Low | 73.7 | Confident | 126 Ų | 126 | 102.7 Ų | 102.7 | 59% | 0.589 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.6 | -33.7 | 174.4 | -62.4 | -72.5 | -59.3 | 0 | 0 | 112.4 | T165 E171 | T165-Q167 PolarHBondContact O-N 2.91Å; Q167-E171 WeakPolarHBondContact O-CB 3.49Å; Q167-E171 WeakPolarHBondContact O-CG 3.32Å; Q167-E171 PolarHBondContact O-N 2.86Å; Q167-E171 VanDerWaalsContact O-N 3.15Å |
| 168 | Y | 77.8 | Confident | 75.5 | Confident | 89 Ų | 89 | 98.6 Ų | 98.6 | 35% | 0.349 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.5 | -36.6 | 178.3 | -179.3 | -97 | 0 | 0 | 0 | 112.5 | A161 T165 P166 Q172 | A161-Y168 HydrophobicContact CB-CD2 4.14Å; T165-Y168 WeakPolarHBondContact O-CB 3.19Å; T165-Y168 PolarHBondContact O-N 3.45Å; P166-Y168 VanDerWaalsContact C-N 3.28Å; P166-Y168 PolarHBondContact O-N 3.18Å; Y168-Q172 HydrophobicContact CD1-CG 4.37Å; Y168-Q172 HydrophobicContact CE1-CG 4.05Å; Y168-Q172 WeakPolarHBondContact O-CG 3.38Å; Y168-Q172 PolarHBondContact O-N 2.94Å; Y168-Q172 VanDerWaalsContact O-N 3.09Å; Y168-Q172 PolarHBondContact OH-NE2 3.18Å |
| 169 | V | 78 | Confident | 77 | Confident | 83 Ų | 83 | 99.3 Ų | 99.3 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.2 | -36 | 179.6 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | P166 Q172 F173 | P166-V169 WeakPolarHBondContact O-CG2 3.34Å; P166-V169 PolarHBondContact O-N 3.39Å; V169-Q172 PolarHBondContact O-N 3.32Å; V169-F173 WeakPolarHBondContact O-CB 3.49Å; V169-F173 PolarHBondContact O-N 2.91Å |
| 170 | D | 79.7 | Confident | 78.7 | Confident | 89 Ų | 89 | 100.4 Ų | 100.4 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 176 | -66.3 | -30.1 | 0 | 0 | 0 | 111.3 | P166 Q172 F173 L174 | P166-D170 PolarHBondContact O-N 3.15Å; D170-Q172 PolarHBondContact O-N 2.91Å; D170-F173 PolarHBondContact O-N 2.85Å; D170-L174 WeakPolarHBondContact O-CB 3.49Å; D170-L174 WeakPolarHBondContact O-CG 2.97Å; D170-L174 PolarHBondContact O-N 3.02Å |
| 171 | E | 77.9 | Confident | 80.3 | Confident | 116 Ų | 116 | 97.9 Ų | 97.9 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 175.6 | -71.5 | -73.1 | 150 | 0 | 0 | 112.6 | Q167 S175 | Q167-E171 WeakPolarHBondContact O-CB 3.49Å; Q167-E171 WeakPolarHBondContact O-CG 3.32Å; Q167-E171 PolarHBondContact O-N 2.86Å; Q167-E171 VanDerWaalsContact O-N 3.15Å; E171-S175 WeakPolarHBondContact O-CB 3.4Å; E171-S175 PolarHBondContact O-N 3.03Å; E171-S175 PolarHBondContact O-OG 3.23Å |
| 172 | Q | 80.6 | Confident | 81.8 | Confident | 76 Ų | 76 | 98.3 Ų | 98.3 | 36% | 0.355 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 174.5 | -77.5 | -166.6 | -26.5 | 0 | 0 | 112.6 | Y168 V169 D170 S175 R176 | Y168-Q172 HydrophobicContact CD1-CG 4.37Å; Y168-Q172 HydrophobicContact CE1-CG 4.05Å; Y168-Q172 WeakPolarHBondContact O-CG 3.38Å; Y168-Q172 PolarHBondContact O-N 2.94Å; Y168-Q172 VanDerWaalsContact O-N 3.09Å; Y168-Q172 PolarHBondContact OH-NE2 3.18Å; V169-Q172 PolarHBondContact O-N 3.32Å; D170-Q172 PolarHBondContact O-N 2.91Å; Q172-S175 WeakPolarHBondContact CA-OG 3.5Å; Q172-S175 PolarHBondContact O-OG 3.49Å; Q172-R176 WeakPolarHBondContact O-CB 3.13Å; Q172-R176 VanDerWaalsContact O-CG 3.32Å; Q172-R176 WeakPolarHBondContact O-CG 3.32Å; Q172-R176 PolarHBondContact O-N 2.93Å |
| 173 | F | 87.8 | Confident | 83.1 | Confident | 140 Ų | 140 | 99.5 Ų | 99.5 | 61% | 0.614 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.9 | -47.8 | 175.9 | -178.4 | -97.7 | 0 | 0 | 0 | 111.2 | V169 D170 R176 L177 | V169-F173 WeakPolarHBondContact O-CB 3.49Å; V169-F173 PolarHBondContact O-N 2.91Å; D170-F173 PolarHBondContact O-N 2.85Å; F173-R176 PolarHBondContact O-N 3.35Å; F173-L177 WeakPolarHBondContact O-CB 3.38Å; F173-L177 PolarHBondContact O-N 3.03Å |
| 174 | L | 87.8 | Confident | 84.7 | Confident | 74 Ų | 74 | 98.2 Ų | 98.2 | 39% | 0.387 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -48 | 177.4 | -73 | 167.2 | 0 | 0 | 0 | 111.4 | D170 R176 L177 F178 | D170-L174 WeakPolarHBondContact O-CB 3.49Å; D170-L174 WeakPolarHBondContact O-CG 2.97Å; D170-L174 PolarHBondContact O-N 3.02Å; L174-R176 VanDerWaalsContact C-N 3.34Å; L174-R176 PolarHBondContact O-N 3.05Å; L174-L177 PolarHBondContact O-N 3.3Å; L174-F178 HydrophobicContact CB-CD2 4.4Å; L174-F178 HydrophobicContact CB-CE2 4.44Å; L174-F178 HydrophobicContact CD2-CE2 4.43Å; L174-F178 WeakPolarHBondContact O-CB 3.36Å; L174-F178 WeakPolarHBondContact O-CD2 3.13Å; L174-F178 PolarHBondContact O-N 3.08Å |
| 175 | S | 84.6 | Confident | 86 | Confident | 60 Ų | 60 | 98.6 Ų | 98.6 | 42% | 0.42 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 178.5 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | E171 Q172 L179 | E171-S175 WeakPolarHBondContact O-CB 3.4Å; E171-S175 PolarHBondContact O-N 3.03Å; E171-S175 PolarHBondContact O-OG 3.23Å; Q172-S175 WeakPolarHBondContact CA-OG 3.5Å; Q172-S175 PolarHBondContact O-OG 3.49Å; S175-L179 VanDerWaalsContact O-CG 3.32Å; S175-L179 WeakPolarHBondContact O-CG 3.36Å; S175-L179 PolarHBondContact O-N 3.46Å; S175-L179 VanDerWaalsContact O-N 3.08Å |
| 176 | R | 88.4 | Confident | 86.8 | Confident | 186 Ų | 186 | 101.6 Ų | 101.6 | 70% | 0.702 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -41.1 | 173.9 | -74.2 | 180 | -179.8 | -164.1 | 1.8 | 112.5 | Q172 F173 L174 F180 | Q172-R176 WeakPolarHBondContact O-CB 3.13Å; Q172-R176 VanDerWaalsContact O-CG 3.32Å; Q172-R176 WeakPolarHBondContact O-CG 3.32Å; Q172-R176 PolarHBondContact O-N 2.93Å; F173-R176 PolarHBondContact O-N 3.35Å; L174-R176 VanDerWaalsContact C-N 3.34Å; L174-R176 PolarHBondContact O-N 3.05Å; R176-F180 WeakPolarHBondContact O-CB 3.3Å; R176-F180 PolarHBondContact O-N 2.98Å |
| 177 | L | 94 | Very high | 87.9 | Confident | 85 Ų | 85 | 103.7 Ų | 103.7 | 45% | 0.445 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 177.7 | -176 | 70.9 | 0 | 0 | 0 | 111.3 | F173 L174 L179 F180 V181 | F173-L177 WeakPolarHBondContact O-CB 3.38Å; F173-L177 PolarHBondContact O-N 3.03Å; L174-L177 PolarHBondContact O-N 3.3Å; L177-L179 PolarHBondContact O-N 3.27Å; L177-F180 PolarHBondContact O-N 3.46Å; L177-V181 WeakPolarHBondContact O-CG2 3.45Å; L177-V181 PolarHBondContact O-N 3.01Å |
| 178 | F | 93.1 | Very high | 89.2 | Confident | 145 Ų | 145 | 106.1 Ų | 106.1 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 177.9 | -84.6 | -67.5 | 0 | 0 | 0 | 112.1 | L174 F180 V181 A182 | L174-F178 HydrophobicContact CB-CD2 4.4Å; L174-F178 HydrophobicContact CB-CE2 4.44Å; L174-F178 HydrophobicContact CD2-CE2 4.43Å; L174-F178 WeakPolarHBondContact O-CB 3.36Å; L174-F178 WeakPolarHBondContact O-CD2 3.13Å; L174-F178 PolarHBondContact O-N 3.08Å; F178-F180 VanDerWaalsContact C-N 3.33Å; F178-F180 PolarHBondContact O-N 3.4Å; F178-V181 PolarHBondContact O-N 3.42Å; F178-A182 VanDerWaalsContact O-CB 3.29Å; F178-A182 WeakPolarHBondContact O-CB 3.29Å; F178-A182 PolarHBondContact O-N 2.99Å |
| 179 | L | 91.7 | Very high | 89.9 | Confident | 119 Ų | 119 | 106.8 Ų | 106.8 | 62% | 0.623 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -41.5 | 175.4 | -73.3 | 176 | 0 | 0 | 0 | 111.8 | S175 L177 A182 L183 | S175-L179 VanDerWaalsContact O-CG 3.32Å; S175-L179 WeakPolarHBondContact O-CG 3.36Å; S175-L179 PolarHBondContact O-N 3.46Å; S175-L179 VanDerWaalsContact O-N 3.08Å; L177-L179 PolarHBondContact O-N 3.27Å; L179-A182 PolarHBondContact O-N 3.24Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.34Å; L179-L183 PolarHBondContact O-N 3.01Å |
| 180 | F | 95.2 | Very high | 90.4 | Very high | 135 Ų | 135 | 109.5 Ų | 109.5 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -48.1 | 177.1 | -178.4 | -97.9 | 0 | 0 | 0 | 112.1 | R176 L177 F178 A182 L183 V184 | R176-F180 WeakPolarHBondContact O-CB 3.3Å; R176-F180 PolarHBondContact O-N 2.98Å; L177-F180 PolarHBondContact O-N 3.46Å; F178-F180 VanDerWaalsContact C-N 3.33Å; F178-F180 PolarHBondContact O-N 3.4Å; F180-A182 VanDerWaalsContact C-N 3.32Å; F180-A182 PolarHBondContact O-N 3.43Å; F180-L183 PolarHBondContact O-N 2.9Å; F180-V184 HydrophobicContact CD1-CG2 4.29Å; F180-V184 HydrophobicContact CE1-CG2 3.91Å; F180-V184 HydrophobicContact CZ-CG2 4.06Å; F180-V184 WeakPolarHBondContact O-CG2 3.2Å; F180-V184 PolarHBondContact O-N 3.44Å |
| 181 | V | 94.8 | Very high | 90.8 | Very high | 67 Ų | 67 | 111 Ų | 111 | 41% | 0.406 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 111 | L177 F178 L183 V184 I185 | L177-V181 WeakPolarHBondContact O-CG2 3.45Å; L177-V181 PolarHBondContact O-N 3.01Å; F178-V181 PolarHBondContact O-N 3.42Å; V181-L183 PolarHBondContact O-N 3.46Å; V181-V184 PolarHBondContact O-N 3.44Å; V181-I185 HydrophobicContact CG1-CD1 3.84Å; V181-I185 HydrophobicContact CG1-CG1 4.48Å; V181-I185 WeakPolarHBondContact O-CG1 3.38Å; V181-I185 PolarHBondContact O-N 2.89Å |
| 182 | A | 93.2 | Very high | 90.7 | Very high | 48 Ų | 48 | 111 Ų | 111 | 40% | 0.397 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | F178 L179 F180 I185 M186 | F178-A182 VanDerWaalsContact O-CB 3.29Å; F178-A182 WeakPolarHBondContact O-CB 3.29Å; F178-A182 PolarHBondContact O-N 2.99Å; L179-A182 PolarHBondContact O-N 3.24Å; F180-A182 VanDerWaalsContact C-N 3.32Å; F180-A182 PolarHBondContact O-N 3.43Å; A182-I185 PolarHBondContact O-N 3.14Å; A182-M186 WeakPolarHBondContact O-CB 3.41Å; A182-M186 VanDerWaalsContact O-CG 3.22Å; A182-M186 WeakPolarHBondContact O-CG 3.22Å; A182-M186 PolarHBondContact O-N 3.37Å |
| 183 | L | 94.8 | Very high | 91.2 | Very high | 122 Ų | 122 | 112.8 Ų | 112.8 | 64% | 0.639 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.7 | -39.5 | 176.5 | -71.3 | 175.2 | 0 | 0 | 0 | 112.4 | L179 F180 V181 M186 F187 | L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.34Å; L179-L183 PolarHBondContact O-N 3.01Å; F180-L183 PolarHBondContact O-N 2.9Å; V181-L183 PolarHBondContact O-N 3.46Å; L183-M186 PolarHBondContact O-N 3.26Å; L183-F187 VanDerWaalsContact O-CB 3.29Å; L183-F187 WeakPolarHBondContact O-CB 3.35Å; L183-F187 PolarHBondContact O-N 2.99Å |
| 184 | V | 95.3 | Very high | 91.4 | Very high | 78 Ų | 78 | 111.3 Ų | 111.3 | 47% | 0.473 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.2 | -44.1 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | F180 V181 F187 W188 | F180-V184 HydrophobicContact CD1-CG2 4.29Å; F180-V184 HydrophobicContact CE1-CG2 3.91Å; F180-V184 HydrophobicContact CZ-CG2 4.06Å; F180-V184 WeakPolarHBondContact O-CG2 3.2Å; F180-V184 PolarHBondContact O-N 3.44Å; V181-V184 PolarHBondContact O-N 3.44Å; V184-F187 PolarHBondContact O-N 2.87Å; V184-W188 WeakPolarHBondContact O-CB 3.38Å; V184-W188 PolarHBondContact O-N 3.46Å |
| 185 | I | 94.9 | Very high | 91.6 | Very high | 90 Ų | 90 | 113.4 Ų | 113.4 | 46% | 0.462 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.4 | -45.6 | 177.5 | -67.6 | 168 | 0 | 0 | 0 | 110.7 | V181 A182 F187 W188 L189 | V181-I185 HydrophobicContact CG1-CD1 3.84Å; V181-I185 HydrophobicContact CG1-CG1 4.48Å; V181-I185 WeakPolarHBondContact O-CG1 3.38Å; V181-I185 PolarHBondContact O-N 2.89Å; A182-I185 PolarHBondContact O-N 3.14Å; I185-F187 VanDerWaalsContact C-N 3.34Å; I185-F187 PolarHBondContact O-N 3.24Å; I185-W188 PolarHBondContact O-N 3.06Å; I185-L189 HydrophobicContact CG2-CD1 4.13Å; I185-L189 HydrophobicContact CG2-CG 4.48Å; I185-L189 WeakPolarHBondContact O-CG 3.29Å; I185-L189 PolarHBondContact O-N 2.93Å |
| 186 | M | 93 | Very high | 92 | Very high | 113 Ų | 113 | 116.5 Ų | 116.5 | 56% | 0.557 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.8 | -41.5 | 178 | -73.8 | -65.9 | -64.2 | 0 | 0 | 112.2 | A182 L183 L189 L190 | A182-M186 WeakPolarHBondContact O-CB 3.41Å; A182-M186 VanDerWaalsContact O-CG 3.22Å; A182-M186 WeakPolarHBondContact O-CG 3.22Å; A182-M186 PolarHBondContact O-N 3.37Å; L183-M186 PolarHBondContact O-N 3.26Å; M186-L189 PolarHBondContact O-N 2.94Å; M186-L190 WeakPolarHBondContact O-CG 3.44Å; M186-L190 PolarHBondContact O-N 2.93Å; M186-L190 VanDerWaalsContact O-N 3.11Å |
| 187 | F | 96.1 | Very high | 92.2 | Very high | 137 Ų | 137 | 112.2 Ų | 112.2 | 60% | 0.601 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.8 | -40.7 | 176 | -178.1 | -104.3 | 0 | 0 | 0 | 111.9 | L183 V184 I185 L190 I191 | L183-F187 VanDerWaalsContact O-CB 3.29Å; L183-F187 WeakPolarHBondContact O-CB 3.35Å; L183-F187 PolarHBondContact O-N 2.99Å; V184-F187 PolarHBondContact O-N 2.87Å; I185-F187 VanDerWaalsContact C-N 3.34Å; I185-F187 PolarHBondContact O-N 3.24Å; F187-L190 PolarHBondContact O-N 3.11Å; F187-I191 HydrophobicContact CD1-CD1 3.8Å; F187-I191 HydrophobicContact CD2-CD1 4.02Å; F187-I191 HydrophobicContact CE1-CD1 3.28Å; F187-I191 HydrophobicContact CE2-CD1 3.52Å; F187-I191 HydrophobicContact CG-CD1 4.16Å; F187-I191 HydrophobicContact CZ-CD1 3.14Å; F187-I191 PolarHBondContact O-N 3.28Å |
| 188 | W | 94.8 | Very high | 92.1 | Very high | 177 Ų | 177 | 114 Ų | 114 | 67% | 0.67 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.5 | -43.5 | 175.9 | -171.1 | 75.6 | 0 | 0 | 0 | 112 | V184 I185 L190 I191 A192 | V184-W188 WeakPolarHBondContact O-CB 3.38Å; V184-W188 PolarHBondContact O-N 3.46Å; I185-W188 PolarHBondContact O-N 3.06Å; W188-L190 VanDerWaalsContact C-N 3.27Å; W188-L190 PolarHBondContact O-N 3.33Å; W188-I191 PolarHBondContact O-N 3.23Å; W188-A192 WeakPolarHBondContact O-CB 3.48Å; W188-A192 PolarHBondContact O-N 3.36Å |
| 189 | L | 91.7 | Very high | 92 | Very high | 103 Ų | 103 | 111.8 Ų | 111.8 | 54% | 0.539 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68 | -21.1 | 175.7 | -71.1 | 176.7 | 0 | 0 | 0 | 114.3 | I185 M186 | I185-L189 HydrophobicContact CG2-CD1 4.13Å; I185-L189 HydrophobicContact CG2-CG 4.48Å; I185-L189 WeakPolarHBondContact O-CG 3.29Å; I185-L189 PolarHBondContact O-N 2.93Å; M186-L189 PolarHBondContact O-N 2.94Å |
| 190 | L | 89.1 | Confident | 92 | Very high | 139 Ų | 139 | 111.2 Ų | 111.2 | 73% | 0.728 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -84 | -17.2 | 176.6 | -85.7 | 165.6 | 0 | 0 | 0 | 113.2 | M186 F187 W188 | M186-L190 WeakPolarHBondContact O-CG 3.44Å; M186-L190 PolarHBondContact O-N 2.93Å; M186-L190 VanDerWaalsContact O-N 3.11Å; F187-L190 PolarHBondContact O-N 3.11Å; W188-L190 VanDerWaalsContact C-N 3.27Å; W188-L190 PolarHBondContact O-N 3.33Å |
| 191 | I | 87.6 | Confident | 91.8 | Very high | 120 Ų | 120 | 109.3 Ų | 109.3 | 62% | 0.615 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -106.4 | -23.4 | -177.1 | -72.1 | 166 | 0 | 0 | 0 | 112.2 | F187 W188 | F187-I191 HydrophobicContact CD1-CD1 3.8Å; F187-I191 HydrophobicContact CD2-CD1 4.02Å; F187-I191 HydrophobicContact CE1-CD1 3.28Å; F187-I191 HydrophobicContact CE2-CD1 3.52Å; F187-I191 HydrophobicContact CG-CD1 4.16Å; F187-I191 HydrophobicContact CZ-CD1 3.14Å; F187-I191 PolarHBondContact O-N 3.28Å; W188-I191 PolarHBondContact O-N 3.23Å |
| 192 | A | 75.9 | Confident | 91.5 | Very high | 117 Ų | 117 | 113.1 Ų | 113.1 | 97% | 0.967 | 60% | 0.604 | S | S | * | * | trans | -81.7 | 0 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W188 | W188-A192 WeakPolarHBondContact O-CB 3.48Å; W188-A192 PolarHBondContact O-N 3.36Å |
Retrieved 192 of 192 residues in 461.7 ms
(Link to these results)