| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.3 | Very low | 37.4 | Very low | 236 Ų | 236 | 149 Ų | 149 | 100% | 1.163 | 83% | 0.832 | S | S | * | * | 0 | 123.6 | 0 | -75.4 | 160.6 | 63.9 | 0 | 0 | 107.5 | |||||
| 2 | C | 32.8 | Very low | 37.9 | Very low | 126 Ų | 126 | 149 Ų | 149 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | 27.5 | 140.3 | 157.4 | -60.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 3 | S | 31.2 | Very low | 38.5 | Very low | 89 Ų | 89 | 149.7 Ų | 149.7 | 62% | 0.622 | 82% | 0.821 | S | S | * | * | cis | 170.5 | 150.6 | 2.4 | -109.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 4 | R | 39.5 | Very low | 39.2 | Very low | 249 Ų | 249 | 149.1 Ų | 149.1 | 94% | 0.94 | 82% | 0.815 | S | S | * | * | trans | 63.7 | 135.1 | 144.1 | -65 | 170.3 | 170.6 | -179.2 | -5 | 117.5 | ||||
| 5 | G | 37.2 | Very low | 39.8 | Very low | 72 Ų | 72 | 148.3 Ų | 148.3 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | cis | -176.1 | 172.6 | 10.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 6 | W | 36.8 | Very low | 40.6 | Very low | 244 Ų | 244 | 149 Ų | 149 | 92% | 0.924 | 81% | 0.81 | S | S | * | * | trans | -43.9 | 162 | 173 | -59.8 | -39.9 | 0 | 0 | 0 | 114.3 | ||||
| 7 | D | 38 | Very low | 41.1 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | cis | -177 | 171.3 | 35.3 | -130.3 | -24.1 | 0 | 0 | 0 | 111.5 | ||||
| 8 | S | 37.3 | Very low | 42 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 79.5 | 132.3 | 153.7 | -53 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 9 | C | 39.9 | Very low | 42.4 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | cis | -150.4 | 120.5 | 19.5 | -96.3 | 0 | 0 | 0 | 0 | 108.9 | A11 | C9-A11 PolarHBondContact O-N 2.67Š| ||
| 10 | L | 40.3 | Very low | 42.8 | Very low | 178 Ų | 178 | 145 Ų | 145 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -89.1 | 92.5 | 155.4 | -73.2 | 174.1 | 0 | 0 | 0 | 106.8 | L12 | L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.18Å | ||
| 11 | A | 44.9 | Very low | 43.1 | Very low | 89 Ų | 89 | 145 Ų | 145 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -69 | 93.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | C9 E13 | C9-A11 PolarHBondContact O-N 2.67Å; A11-E13 VanDerWaalsContact C-N 3.33Å; A11-E13 PolarHBondContact O-N 3.14Å; A11-E13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | L | 44.3 | Very low | 43.6 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -78.1 | 88.2 | 166.9 | -154.4 | 94.2 | 0 | 0 | 0 | 106.8 | L10 L14 | L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.18Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 HydrophobicContact CD2-CD1 4.24Å; L12-L14 HydrophobicContact CD2-CG 4.46Å; L12-L14 PolarHBondContact O-N 3.43Å | ||
| 13 | E | 44.7 | Very low | 44.1 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -67.7 | 93.1 | 169.9 | -77 | -152.7 | 157.6 | 0 | 0 | 109.5 | A11 L15 | A11-E13 VanDerWaalsContact C-N 3.33Å; A11-E13 PolarHBondContact O-N 3.14Å; A11-E13 VanDerWaalsContact O-N 3.15Å; E13-L15 PolarHBondContact O-N 2.93Å | ||
| 14 | L | 48.3 | Very low | 44.6 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -69 | 86.9 | 158.8 | -91.3 | 148.1 | 0 | 0 | 0 | 107.8 | L12 L16 | L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 HydrophobicContact CD2-CD1 4.24Å; L12-L14 HydrophobicContact CD2-CG 4.46Å; L12-L14 PolarHBondContact O-N 3.43Å; L14-L16 VanDerWaalsContact C-N 3.26Å; L14-L16 PolarHBondContact O-N 2.72Å | ||
| 15 | L | 48.3 | Very low | 44.7 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | -64.9 | 91.3 | 165.7 | -70.8 | 169.9 | 0 | 0 | 0 | 108.2 | E13 L17 | E13-L15 PolarHBondContact O-N 2.93Å; L15-L17 PolarHBondContact O-N 3.3Å | ||
| 16 | L | 53.2 | Low | 45.4 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -63.3 | 89.9 | 162.7 | -71.2 | 169.6 | 0 | 0 | 0 | 107.3 | L14 P18 | L14-L16 VanDerWaalsContact C-N 3.26Å; L14-L16 PolarHBondContact O-N 2.72Å; L16-P18 VanDerWaalsContact O-CD 3.23Å; L16-P18 WeakPolarHBondContact O-CD 3.49Å; L16-P18 VanDerWaalsContact O-N 3.16Å | ||
| 17 | L | 48.9 | Very low | 45.8 | Very low | 153 Ų | 153 | 135 Ų | 135 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | trans | -60.2 | 116.7 | 166.8 | -76.1 | 166.5 | 0 | 0 | 0 | 106.9 | L15 L19 | L15-L17 PolarHBondContact O-N 3.3Å; L17-L19 PolarHBondContact O-N 3.22Å | ||
| 18 | P | 56.4 | Low | 46.7 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | trans | -61.3 | 118 | 169.6 | 25.2 | -29.3 | 0 | 0 | 0 | 105.4 | L16 S20 | L16-P18 VanDerWaalsContact O-CD 3.23Å; L16-P18 WeakPolarHBondContact O-CD 3.49Å; L16-P18 VanDerWaalsContact O-N 3.16Å; P18-S20 PolarHBondContact O-N 3.06Å | ||
| 19 | L | 50.3 | Low | 48.4 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | trans | -63.6 | 86 | 169 | -157.5 | 80.1 | 0 | 0 | 0 | 105.4 | L17 L21 | L17-L19 PolarHBondContact O-N 3.22Å; L19-L21 PolarHBondContact O-N 2.88Å | ||
| 20 | S | 50.6 | Low | 50.7 | Low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | trans | -63.3 | 95.8 | 170.1 | 41.8 | 0 | 0 | 0 | 0 | 104.7 | P18 L22 | P18-S20 PolarHBondContact O-N 3.06Å; S20-L22 PolarHBondContact O-N 3.31Å | ||
| 21 | L | 49 | Very low | 53.2 | Low | 146 Ų | 146 | 121.2 Ų | 121.2 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | trans | -58.2 | 90.7 | 158.3 | -70.6 | 169.2 | 0 | 0 | 0 | 104.6 | L19 V23 | L19-L21 PolarHBondContact O-N 2.88Å; L21-V23 PolarHBondContact O-N 3.36Å | ||
| 22 | L | 43.2 | Very low | 55.5 | Low | 144 Ų | 144 | 122.9 Ų | 122.9 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | trans | -58.8 | 87.6 | 155.6 | -81.5 | 156.9 | 0 | 0 | 0 | 104 | S20 T24 | S20-L22 PolarHBondContact O-N 3.31Å; L22-T24 HydrophobicContact CB-CG2 4.4Å; L22-T24 PolarHBondContact O-N 3.18Å | ||
| 23 | V | 43.7 | Very low | 57.9 | Low | 130 Ų | 130 | 118 Ų | 118 | 79% | 0.788 | 65% | 0.646 | S | S | * | * | trans | -61.5 | 88.3 | 152.5 | 178.8 | 0 | 0 | 0 | 0 | 102.7 | L21 S25 | L21-V23 PolarHBondContact O-N 3.36Å; V23-S25 PolarHBondContact O-N 2.92Å | ||
| 24 | T | 41.2 | Very low | 60.4 | Low | 104 Ų | 104 | 113.6 Ų | 113.6 | 64% | 0.638 | 63% | 0.63 | S | S | * | * | trans | -59.5 | 104.7 | 165.2 | 46.4 | 0 | 0 | 0 | 0 | 103.3 | L22 I26 | L22-T24 HydrophobicContact CB-CG2 4.4Å; L22-T24 PolarHBondContact O-N 3.18Å; T24-I26 PolarHBondContact O-N 3.04Å | ||
| 25 | S | 42.2 | Very low | 62.6 | Low | 107 Ų | 107 | 107.9 Ų | 107.9 | 75% | 0.748 | 60% | 0.601 | S | S | * | * | trans | -55.3 | 98.4 | 164.8 | 178.3 | 0 | 0 | 0 | 0 | 104.7 | V23 Q27 | V23-S25 PolarHBondContact O-N 2.92Å; S25-Q27 PolarHBondContact O-N 2.88Å | ||
| 26 | I | 51.9 | Low | 64.9 | Low | 141 Ų | 141 | 103.9 Ų | 103.9 | 72% | 0.723 | 58% | 0.582 | S | S | * | * | trans | -64.2 | 102.3 | 170.6 | -53.5 | 176.7 | 0 | 0 | 0 | 102.3 | T24 G28 | T24-I26 PolarHBondContact O-N 3.04Å; I26-G28 PolarHBondContact O-N 3.41Å | ||
| 27 | Q | 46 | Very low | 66.9 | Low | 179 Ų | 179 | 97.2 Ų | 97.2 | 84% | 0.836 | 55% | 0.549 | S | S | * | . | trans | -58 | 92.9 | 178.2 | -173.3 | 167.1 | -22.8 | 0 | 0 | 106.6 | S25 H29 | S25-Q27 PolarHBondContact O-N 2.88Å; Q27-H29 PolarHBondContact O-N 2.95Å; Q27-H29 VanDerWaalsContact O-N 3.08Å | ||
| 28 | G | 57.2 | Low | 69.2 | Low | 40 Ų | 40 | 92 Ų | 92 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | trans | -58.2 | 119.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | I26 L30 | I26-G28 PolarHBondContact O-N 3.41Å; G28-L30 PolarHBondContact O-N 2.91Å | ||
| 29 | H | 72.3 | Confident | 71.1 | Confident | 80 Ų | 80 | 88.7 Ų | 88.7 | 37% | 0.37 | 51% | 0.511 | S | S | . | . | trans | -63.4 | 103.8 | 179.2 | -169.4 | 73 | 0 | 0 | 0 | 108.3 | Q27 V31 K122 | Q27-H29 PolarHBondContact O-N 2.95Å; Q27-H29 VanDerWaalsContact O-N 3.08Å; H29-V31 WeakPolarHBondContact NE2-CG2 3.4Å; H29-K122 PolarHBondContact O-N 2.9Å; H29-K122 VanDerWaalsContact O-O 3.09Å | ||
| 30 | L | 87.8 | Confident | 73.4 | Confident | 81 Ų | 81 | 86.9 Ų | 86.9 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 109.5 | 177.1 | -179.5 | 65.3 | 0 | 0 | 0 | 109.2 | G28 T106 K122 K124 | G28-L30 PolarHBondContact O-N 2.91Å; L30-T106 HydrophobicContact CD1-CG2 4.17Å; L30-K122 WeakPolarHBondContact CA-O 2.94Å; L30-K122 HydrophobicContact CD1-CB 3.57Å; L30-K124 HydrophobicContact CD1-CB 4.13Å |
| 31 | V | 92.4 | Very high | 75.6 | Confident | 43 Ų | 43 | 82.9 Ų | 82.9 | 26% | 0.261 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 134.3 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | H29 K122 I123 K124 | H29-V31 WeakPolarHBondContact NE2-CG2 3.4Å; V31-K122 PolarHBondContact N-O 2.77Å; V31-I123 HydrophobicContact CB-CG1 4.32Å; V31-I123 HydrophobicContact CB-CG2 4.5Å; V31-I123 CarbonylContact O-C 3.56Å; V31-I123 WeakPolarHBondContact O-CA 3.16Å; V31-K124 PolarHBondContact O-N 3.3Å |
| 32 | H | 94.4 | Very high | 77.9 | Confident | 124 Ų | 124 | 78.4 Ų | 78.4 | 57% | 0.574 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.2 | 173.3 | -75.4 | -112.9 | 0 | 0 | 0 | 109.9 | ||
| 33 | M | 94.4 | Very high | 80.5 | Confident | 47 Ų | 47 | 71.5 Ų | 71.5 | 23% | 0.232 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125 | 179.1 | -176.5 | 178.1 | -77 | 0 | 0 | 109.5 | V35 V41 L43 I123 K124 L125 Q126 | M33-V35 HydrophobicContact CG-CG1 3.93Å; M33-V35 HydrophobicContact SD-CG1 4.2Å; M33-V41 HydrophobicContact SD-CG2 3.36Å; M33-V41 WeakPolarHBondContact SD-CG2 3.49Å; M33-L43 HydrophobicContact SD-CD2 4.1Å; M33-I123 HydrophobicContact CB-CG2 4.35Å; M33-K124 PolarHBondContact N-O 3.08Å; M33-L125 HydrophobicContact CB-CD1 4.28Å; M33-L125 HydrophobicContact CG-CD1 4.12Å; M33-L125 HydrophobicContact SD-CD1 4.12Å; M33-Q126 PolarHBondContact O-N 2.7Å |
| 34 | T | 95.9 | Very high | 82.9 | Confident | 65 Ų | 65 | 69.5 Ų | 69.5 | 40% | 0.399 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.1 | 173.7 | -55.1 | 0 | 0 | 0 | 0 | 109.9 | Q126 L128 V202 | T34-Q126 CarbonylContact C-O 3.53Å; T34-Q126 WeakPolarHBondContact CA-O 3.36Å; T34-L128 HydrophobicContact CG2-CD1 3.86Å; T34-L128 HydrophobicContact CG2-CG 4.17Å; T34-V202 HydrophobicContact CG2-CG1 3.79Å |
| 35 | V | 96 | Very high | 85.2 | Confident | 21 Ų | 21 | 65.2 Ų | 65.2 | 13% | 0.127 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 159.8 | -177.2 | -60.8 | 0 | 0 | 0 | 0 | 112 | M33 V41 V99 L125 Q126 V127 L128 | M33-V35 HydrophobicContact CG-CG1 3.93Å; M33-V35 HydrophobicContact SD-CG1 4.2Å; V35-V41 HydrophobicContact CG1-CG2 3.9Å; V35-V99 HydrophobicContact CG2-CG2 3.88Å; V35-L125 HydrophobicContact CG1-CD1 4.23Å; V35-L125 HydrophobicContact CG2-CD1 3.75Å; V35-L125 HydrophobicContact CG2-CG 4.48Å; V35-Q126 PolarHBondContact N-O 2.9Å; V35-V127 HydrophobicContact CG2-CB 4.31Å; V35-V127 HydrophobicContact CG2-CG1 4.33Å; V35-V127 HydrophobicContact CG2-CG2 3.82Å; V35-V127 WeakPolarHBondContact O-CA 3.09Å; V35-L128 PolarHBondContact O-N 2.86Å |
| 36 | V | 95.6 | Very high | 87.3 | Confident | 53 Ų | 53 | 64.9 Ų | 64.9 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 136.2 | 177.1 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | S39 L128 P130 V202 | V36-S39 VanDerWaalsContact O-CB 3.29Å; V36-S39 WeakPolarHBondContact O-CB 3.19Å; V36-S39 PolarHBondContact O-N 2.77Å; V36-S39 PolarHBondContact O-OG 2.82Å; V36-L128 WeakPolarHBondContact CA-O 3.35Å; V36-P130 HydrophobicContact CG1-CG 3.74Å; V36-V202 HydrophobicContact CG2-CB 3.74Å; V36-V202 HydrophobicContact CG2-CG1 4.21Å; V36-V202 HydrophobicContact CG2-CG2 4.37Å |
| 37 | S | 96.5 | Very high | 88.9 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 142.3 | 170.9 | -170.2 | 0 | 0 | 0 | 0 | 112.3 | S39 L128 D129 | S37-S39 VanDerWaalsContact C-N 3.26Å; S37-S39 PolarHBondContact O-N 2.78Å; S37-L128 PolarHBondContact N-O 2.76Å; S37-D129 WeakPolarHBondContact CB-OD1 3.36Å; S37-D129 PolarHBondContact OG-OD1 2.97Å |
| 38 | G | 96.4 | Very high | 91 | Very high | 42 Ų | 42 | 59.7 Ų | 59.7 | 43% | 0.433 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -8.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V99 | G38-V99 PolarHBondContact N-O 3.31Š|
| 39 | S | 96.6 | Very high | 92.6 | Very high | 42 Ų | 42 | 58.8 Ų | 58.8 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | trans | -79.3 | 171.5 | 177.7 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | V36 S37 K98 V99 | V36-S39 VanDerWaalsContact O-CB 3.29Å; V36-S39 WeakPolarHBondContact O-CB 3.19Å; V36-S39 PolarHBondContact O-N 2.77Å; V36-S39 PolarHBondContact O-OG 2.82Å; S37-S39 VanDerWaalsContact C-N 3.26Å; S37-S39 PolarHBondContact O-N 2.78Å; S39-K98 CarbonylContact O-C 3.57Å; S39-K98 VanDerWaalsContact O-CA 3.25Å; S39-K98 WeakPolarHBondContact O-CA 3.47Å; S39-K98 PolarHBondContact O-N 3.24Å; S39-K98 VanDerWaalsContact O-N 3.08Å; S39-V99 WeakPolarHBondContact O-CG2 3.41Å; S39-V99 PolarHBondContact O-N 3.16Å | ||
| 40 | N | 97.8 | Very high | 93.4 | Very high | 120 Ų | 120 | 55.8 Ų | 55.8 | 64% | 0.642 | 33% | 0.33 | S | S | * | . | trans | -99.4 | 140.9 | 169 | -62.7 | -18.7 | 0 | 0 | 0 | 108.9 | I96 S97 K98 | N40-I96 WeakPolarHBondContact CA-O 3.21Å; N40-S97 VanDerWaalsContact OD1-CA 3.24Å; N40-S97 WeakPolarHBondContact OD1-CA 3.36Å; N40-S97 WeakPolarHBondContact OD1-CB 3.47Å; N40-K98 PolarHBondContact OD1-N 3.21Å | ||
| 41 | V | 97.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.6 | 179.4 | 71.4 | 0 | 0 | 0 | 0 | 110.9 | M33 V35 L43 Y95 I96 V99 L125 | M33-V41 HydrophobicContact SD-CG2 3.36Å; M33-V41 WeakPolarHBondContact SD-CG2 3.49Å; V35-V41 HydrophobicContact CG1-CG2 3.9Å; V41-L43 HydrophobicContact CG1-CD2 4.34Å; V41-L43 HydrophobicContact CG2-CD2 4.08Å; V41-Y95 WeakPolarHBondContact O-CA 3.5Å; V41-I96 HydrophobicContact CG1-CB 3.86Å; V41-I96 HydrophobicContact CG1-CD1 4.45Å; V41-I96 HydrophobicContact CG1-CG1 4.26Å; V41-I96 PolarHBondContact N-O 3.48Å; V41-I96 PolarHBondContact O-N 2.88Å; V41-V99 HydrophobicContact CB-CG1 4.32Å; V41-V99 HydrophobicContact CG1-CG1 3.48Å; V41-V99 VanDerWaalsContact CG1-CG1 3.48Å; V41-L125 HydrophobicContact CG1-CD2 4.43Å; V41-L125 HydrophobicContact CG2-CD1 4.26Å |
| 42 | T | 97.4 | Very high | 92.9 | Very high | 52 Ų | 52 | 63.1 Ų | 63.1 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 116.9 | 170.9 | -55.5 | 0 | 0 | 0 | 0 | 108.1 | A93 Y95 | T42-A93 HydrophobicContact CG2-CB 3.81Å; T42-Y95 HydrophobicContact CG2-CD1 3.97Å; T42-Y95 HydrophobicContact CG2-CE1 3.69Å; T42-Y95 HydrophobicContact CG2-CE2 4.42Å; T42-Y95 HydrophobicContact CG2-CG 4.49Å; T42-Y95 WeakPolarHBondContact OG1-CD1 3.42Å; T42-Y95 VanDerWaalsContact OG1-CE1 3.3Å; T42-Y95 WeakPolarHBondContact OG1-CE1 3.47Å |
| 43 | L | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 112.4 | 172.3 | -54 | -172.3 | 0 | 0 | 0 | 107.8 | M33 V41 W58 A93 L94 I96 Y107 I123 L125 | M33-L43 HydrophobicContact SD-CD2 4.1Å; V41-L43 HydrophobicContact CG1-CD2 4.34Å; V41-L43 HydrophobicContact CG2-CD2 4.08Å; L43-W58 HydrophobicContact CB-CH2 3.84Å; L43-W58 HydrophobicContact CB-CZ2 4.3Å; L43-W58 HydrophobicContact CB-CZ3 4.28Å; L43-W58 HydrophobicContact CD1-CZ3 4.32Å; L43-A93 CarbonylContact O-C 3.57Å; L43-A93 VanDerWaalsContact O-CA 3.28Å; L43-A93 WeakPolarHBondContact O-CA 3.24Å; L43-L94 HydrophobicContact CB-CB 4.28Å; L43-L94 HydrophobicContact CD1-CD2 4.34Å; L43-L94 PolarHBondContact N-O 2.81Å; L43-L94 PolarHBondContact O-N 3.18Å; L43-I96 HydrophobicContact CD1-CD1 3.79Å; L43-I96 HydrophobicContact CG-CD1 4.26Å; L43-Y107 HydrophobicContact CD1-CD1 3.56Å; L43-Y107 HydrophobicContact CD1-CD2 3.9Å; L43-Y107 HydrophobicContact CD1-CE1 4.13Å; L43-Y107 HydrophobicContact CD1-CE2 4.46Å; L43-Y107 HydrophobicContact CD1-CG 3.42Å; L43-Y107 VanDerWaalsContact CD1-CG 3.42Å; L43-I123 HydrophobicContact CB-CD1 4.03Å; L43-I123 HydrophobicContact CD2-CG2 4.19Å; L43-L125 HydrophobicContact CD2-CD1 4.28Å |
| 44 | N | 94.2 | Very high | 92.6 | Very high | 87 Ų | 87 | 62.9 Ų | 62.9 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | trans | -131.2 | 158.1 | -179 | 64 | -11.2 | 0 | 0 | 0 | 111.1 | A93 I123 | N44-A93 HydrophobicContact CB-CB 4.08Å; N44-I123 VanDerWaalsContact O-CD1 3.23Å; N44-I123 WeakPolarHBondContact O-CD1 3.3Å | ||
| 45 | I | 90.4 | Very high | 92.6 | Very high | 15 Ų | 15 | 61.6 Ų | 61.6 | 8% | 0.077 | 35% | 0.347 | C | S | . | . | trans | -91.4 | 152.3 | 169.3 | 55.1 | 158.6 | 0 | 0 | 0 | 109.9 | E47 L49 M109 W121 | I45-E47 HydrophobicContact CD1-CB 4.42Å; I45-E47 WeakPolarHBondContact CD1-O 3.4Å; I45-E47 VanDerWaalsContact CG1-O 3.22Å; I45-E47 WeakPolarHBondContact CG1-O 3.5Å; I45-E47 PolarHBondContact O-N 2.87Å; I45-L49 HydrophobicContact CD1-CD2 4.19Å; I45-M109 HydrophobicContact CB-CE 4.31Å; I45-M109 HydrophobicContact CD1-CE 3.71Å; I45-M109 HydrophobicContact CG1-CE 3.94Å; I45-M109 HydrophobicContact CG2-CE 3.41Å; I45-M109 VanDerWaalsContact CG2-CE 3.41Å; I45-M109 HydrophobicContact CG2-SD 4.41Å; I45-W121 HydrophobicContact CB-CG 4.35Å; I45-W121 HydrophobicContact CD1-CD2 4.46Å; I45-W121 HydrophobicContact CD1-CZ2 4.05Å; I45-W121 HydrophobicContact CG2-CB 3.57Å; I45-W121 HydrophobicContact CG2-CD2 3.84Å; I45-W121 HydrophobicContact CG2-CG 3.39Å | ||
| 46 | S | 85.5 | Confident | 92.6 | Very high | 99 Ų | 99 | 60.6 Ų | 60.6 | 69% | 0.692 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -72.7 | -20.6 | 177.6 | -48.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 47 | E | 87.1 | Confident | 92.6 | Very high | 104 Ų | 104 | 58.3 Ų | 58.3 | 49% | 0.486 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -102.4 | 165.7 | -176.5 | -59.9 | 167.5 | -107.6 | 0 | 0 | 110.7 | I45 W121 | I45-E47 HydrophobicContact CD1-CB 4.42Å; I45-E47 WeakPolarHBondContact CD1-O 3.4Å; I45-E47 VanDerWaalsContact CG1-O 3.22Å; I45-E47 WeakPolarHBondContact CG1-O 3.5Å; I45-E47 PolarHBondContact O-N 2.87Å; E47-W121 PolarHBondContact OE1-NE1 2.81Å |
| 48 | S | 88.4 | Confident | 92.7 | Very high | 107 Ų | 107 | 57.4 Ų | 57.4 | 75% | 0.748 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 153.6 | 168.4 | 58.3 | 0 | 0 | 0 | 0 | 111 | ||
| 49 | L | 91.4 | Very high | 92.7 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 12% | 0.115 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 144.7 | 172.2 | -72 | 179.1 | 0 | 0 | 0 | 111.2 | I45 E51 Y53 L56 M109 V111 | I45-L49 HydrophobicContact CD1-CD2 4.19Å; L49-E51 PolarHBondContact O-N 2.84Å; L49-Y53 HydrophobicContact CB-CE1 4.4Å; L49-Y53 HydrophobicContact CD1-CE1 3.92Å; L49-L56 HydrophobicContact CD1-CD1 4Å; L49-L56 HydrophobicContact CD2-CD1 3.7Å; L49-M109 HydrophobicContact CD2-CE 3.91Å; L49-M109 HydrophobicContact CD2-SD 4.36Å; L49-V111 HydrophobicContact CD2-CG2 4.13Å |
| 50 | P | 89.3 | Confident | 92.5 | Very high | 17 Ų | 17 | 55.6 Ų | 55.6 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 137.6 | 173.7 | -23.9 | 32 | 0 | 0 | 0 | 111.7 | Y53 V111 K113 W121 | P50-Y53 WeakPolarHBondContact O-CD1 3.42Å; P50-V111 HydrophobicContact CG-CB 4.47Å; P50-V111 HydrophobicContact CG-CG1 4.02Å; P50-K113 HydrophobicContact CB-CD 4.29Å; P50-K113 HydrophobicContact CB-CG 4.35Å; P50-W121 HydrophobicContact CG-CH2 3.76Å |
| 51 | E | 84.6 | Confident | 92.1 | Very high | 169 Ų | 169 | 51.9 Ų | 51.9 | 79% | 0.79 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 148.2 | 171.8 | -64.8 | -173.4 | 179.5 | 0 | 0 | 111.1 | L49 Y53 | L49-E51 PolarHBondContact O-N 2.84Å; E51-Y53 PolarHBondContact O-N 2.87Å |
| 52 | N | 84.9 | Confident | 91.6 | Very high | 109 Ų | 109 | 57.8 Ų | 57.8 | 58% | 0.583 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 32.9 | 173 | -64.9 | -58 | 0 | 0 | 0 | 114.9 | K114 | N52-K114 HydrophobicContact CB-CD 4.32Å; N52-K114 WeakPolarHBondContact O-CG 3.33Å; N52-K114 PolarHBondContact O-N 3.31Å |
| 53 | Y | 91.1 | Very high | 91 | Very high | 50 Ų | 50 | 61.5 Ų | 61.5 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 147.8 | 171.2 | 76.9 | -86.3 | 0 | 0 | 0 | 111.9 | L49 P50 E51 L56 W69 P89 V111 | L49-Y53 HydrophobicContact CB-CE1 4.4Å; L49-Y53 HydrophobicContact CD1-CE1 3.92Å; P50-Y53 WeakPolarHBondContact O-CD1 3.42Å; E51-Y53 PolarHBondContact O-N 2.87Å; Y53-L56 HydrophobicContact CD2-CB 4.32Å; Y53-L56 HydrophobicContact CE2-CB 3.89Å; Y53-W69 AromaticContact CE2-CD1 3.79Å; Y53-W69 PolarHBondContact OH-NE1 3.44Å; Y53-P89 PolarHBondContact OH-O 3.36Å; Y53-V111 HydrophobicContact CD2-CG1 4.06Å; Y53-V111 HydrophobicContact CG-CG1 3.83Å |
| 54 | K | 91.7 | Very high | 90.8 | Very high | 116 Ų | 116 | 64.8 Ų | 64.8 | 50% | 0.504 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -41.8 | 176 | -178.6 | -176.1 | 175.1 | -172.4 | 0 | 110.7 | L112 K114 | K54-L112 PolarHBondContact N-O 2.63Å; K54-K114 HydrophobicContact CB-CG 4.28Å |
| 55 | Q | 95.6 | Very high | 90.9 | Very high | 37 Ų | 37 | 63.8 Ų | 63.8 | 17% | 0.173 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 143 | -170.3 | 178.2 | -178.4 | -14.4 | 0 | 0 | 111 | T57 E68 W69 D70 V111 L112 | Q55-T57 PolarHBondContact NE2-OG1 3.35Å; Q55-E68 HydrophobicContact CG-CG 3.98Å; Q55-E68 PolarHBondContact NE2-OE2 3.15Å; Q55-W69 VanDerWaalsContact CA-O 3.31Å; Q55-W69 WeakPolarHBondContact CA-O 3.44Å; Q55-D70 HydrophobicContact CG-CB 4.4Å; Q55-V111 CarbonylContact O-C 3.58Å; Q55-V111 WeakPolarHBondContact O-CA 3.43Å; Q55-L112 HydrophobicContact CB-CB 4.23Å; Q55-L112 PolarHBondContact N-O 3.27Å; Q55-L112 PolarHBondContact O-N 3.44Å |
| 56 | L | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.4 | 170.8 | 178.4 | 158.9 | 0 | 0 | 0 | 108.5 | L49 Y53 E68 W69 L87 M109 R110 V111 | L49-L56 HydrophobicContact CD1-CD1 4Å; L49-L56 HydrophobicContact CD2-CD1 3.7Å; Y53-L56 HydrophobicContact CD2-CB 4.32Å; Y53-L56 HydrophobicContact CE2-CB 3.89Å; L56-E68 CarbonylContact O-C 3.55Å; L56-E68 WeakPolarHBondContact O-CA 3.32Å; L56-W69 HydrophobicContact CB-CB 4.37Å; L56-W69 PolarHBondContact N-O 2.82Å; L56-W69 PolarHBondContact O-N 3.31Å; L56-L87 HydrophobicContact CD2-CD1 3.99Å; L56-L87 HydrophobicContact CD2-CD2 4.16Å; L56-M109 HydrophobicContact CD1-CG 4.46Å; L56-M109 HydrophobicContact CD1-SD 3.91Å; L56-M109 HydrophobicContact CD2-CG 4.34Å; L56-M109 HydrophobicContact CG-CG 4.19Å; L56-M109 HydrophobicContact CG-SD 4.28Å; L56-R110 CarbonylContact C-O 3.6Å; L56-R110 WeakPolarHBondContact CA-O 3.43Å; L56-V111 HydrophobicContact CB-CG2 4.28Å; L56-V111 HydrophobicContact CD1-CG2 4.06Å; L56-V111 HydrophobicContact CG-CG2 4.01Å |
| 57 | T | 96.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132 | 178.5 | -48 | 0 | 0 | 0 | 0 | 110.5 | Q55 F59 K65 V67 E68 M109 R110 | Q55-T57 PolarHBondContact NE2-OG1 3.35Å; T57-F59 HydrophobicContact CG2-CD2 4.01Å; T57-F59 HydrophobicContact CG2-CE1 4.3Å; T57-F59 HydrophobicContact CG2-CE2 3.38Å; T57-F59 HydrophobicContact CG2-CZ 3.56Å; T57-K65 HydrophobicContact CG2-CD 3.96Å; T57-K65 HydrophobicContact CG2-CG 3.93Å; T57-V67 WeakPolarHBondContact CA-O 3.27Å; T57-E68 HydrophobicContact CG2-CB 4.29Å; T57-M109 WeakPolarHBondContact O-CA 3.38Å; T57-R110 PolarHBondContact N-O 3.15Å; T57-R110 PolarHBondContact O-N 2.91Å |
| 58 | W | 97.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.1 | 167.4 | -84.5 | 97.6 | 0 | 0 | 0 | 110.7 | L43 I66 V67 G92 L94 I108 M109 I123 | L43-W58 HydrophobicContact CB-CH2 3.84Å; L43-W58 HydrophobicContact CB-CZ2 4.3Å; L43-W58 HydrophobicContact CB-CZ3 4.28Å; L43-W58 HydrophobicContact CD1-CZ3 4.32Å; W58-I66 HydrophobicContact CB-CB 4.39Å; W58-I66 PolarHBondContact O-N 2.83Å; W58-V67 HydrophobicContact CB-CG1 3.94Å; W58-V67 HydrophobicContact CG-CG1 4.46Å; W58-V67 PolarHBondContact N-O 3.21Å; W58-G92 PolarHBondContact NE1-O 3.19Å; W58-L94 HydrophobicContact CB-CD2 4.1Å; W58-L94 HydrophobicContact CD2-CB 3.9Å; W58-L94 HydrophobicContact CD2-CD2 4Å; W58-L94 HydrophobicContact CE3-CD2 4.23Å; W58-L94 HydrophobicContact CG-CB 4.07Å; W58-L94 HydrophobicContact CG-CD1 4.38Å; W58-L94 HydrophobicContact CG-CD2 3.96Å; W58-L94 HydrophobicContact CG-CG 4.37Å; W58-L94 HydrophobicContact CZ2-CB 4.12Å; W58-I108 CarbonylContact C-O 3.55Å; W58-I108 WeakPolarHBondContact CA-O 3.47Å; W58-M109 HydrophobicContact CD2-CB 3.98Å; W58-M109 HydrophobicContact CD2-CG 4.21Å; W58-M109 HydrophobicContact CE3-CB 4.02Å; W58-M109 HydrophobicContact CH2-CB 3.8Å; W58-M109 HydrophobicContact CZ2-CB 3.75Å; W58-M109 HydrophobicContact CZ2-CG 3.99Å; W58-M109 HydrophobicContact CZ2-SD 3.71Å; W58-M109 HydrophobicContact CZ3-CB 3.93Å; W58-I123 HydrophobicContact CH2-CD1 3.89Å |
| 59 | F | 96.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 52 Ų | 52 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141 | 174.2 | -58.5 | -103.4 | 0 | 0 | 0 | 110 | T57 T61 Q64 K65 Y107 I108 R110 | T57-F59 HydrophobicContact CG2-CD2 4.01Å; T57-F59 HydrophobicContact CG2-CE1 4.3Å; T57-F59 HydrophobicContact CG2-CE2 3.38Å; T57-F59 HydrophobicContact CG2-CZ 3.56Å; F59-T61 VanDerWaalsContact CB-O 3.22Å; F59-T61 WeakPolarHBondContact CB-O 3.44Å; F59-Q64 CarbonylContact C-O 3.55Å; F59-Q64 WeakPolarHBondContact CA-O 3.38Å; F59-K65 HydrophobicContact CD1-CB 4.49Å; F59-K65 HydrophobicContact CD1-CG 3.75Å; F59-K65 HydrophobicContact CE1-CB 4.48Å; F59-K65 HydrophobicContact CE1-CD 4.23Å; F59-K65 HydrophobicContact CE1-CG 3.33Å; F59-K65 HydrophobicContact CZ-CD 4.48Å; F59-K65 HydrophobicContact CZ-CG 3.93Å; F59-Y107 WeakPolarHBondContact O-CA 3.34Å; F59-I108 HydrophobicContact CB-CB 4.27Å; F59-I108 PolarHBondContact N-O 2.87Å; F59-I108 PolarHBondContact O-N 2.82Å; F59-R110 HydrophobicContact CD2-CG 4.43Å; F59-R110 HydrophobicContact CE2-CB 4.12Å; F59-R110 HydrophobicContact CE2-CG 4.04Å |
| 60 | Y | 93.4 | Very high | 92.7 | Very high | 31 Ų | 31 | 53.5 Ų | 53.5 | 12% | 0.122 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 125.1 | 156.1 | 173.2 | -106 | 0 | 0 | 0 | 104.6 | Q64 K80 F81 E102 Y107 | Y60-Q64 PolarHBondContact N-O 2.84Å; Y60-Q64 VanDerWaalsContact O-CB 3.27Å; Y60-Q64 WeakPolarHBondContact O-CB 3.31Å; Y60-Q64 PolarHBondContact O-N 3.29Å; Y60-K80 VanDerWaalsContact CZ-NZ 3.32Å; Y60-K80 VanDerWaalsContact OH-CE 3.26Å; Y60-K80 WeakPolarHBondContact OH-CE 3.22Å; Y60-K80 PolarHBondContact OH-NZ 2.86Å; Y60-F81 AromaticContact CD1-CE2 3.94Å; Y60-F81 HydrophobicContact CD1-CE2 3.94Å; Y60-F81 AromaticContact CD2-CE2 3.41Å; Y60-F81 HydrophobicContact CD2-CE2 3.41Å; Y60-F81 VanDerWaalsContact CD2-CE2 3.41Å; Y60-F81 AromaticContact CD2-CZ 3.3Å; Y60-F81 HydrophobicContact CD2-CZ 3.3Å; Y60-F81 HydrophobicContact CE1-CE2 4.49Å; Y60-F81 HydrophobicContact CE2-CE2 4Å; Y60-F81 AromaticContact CE2-CZ 3.62Å; Y60-F81 HydrophobicContact CE2-CZ 3.62Å; Y60-F81 AromaticContact CG-CE2 3.36Å; Y60-F81 HydrophobicContact CG-CE2 3.36Å; Y60-F81 AromaticContact CG-CZ 3.8Å; Y60-F81 HydrophobicContact CG-CZ 3.8Å; Y60-E102 PolarHBondContact OH-O 2.8Å; Y60-Y107 HydrophobicContact CD2-CD1 4.5Å; Y60-Y107 AromaticContact CD2-CE1 3.79Å; Y60-Y107 HydrophobicContact CD2-CE1 3.79Å; Y60-Y107 HydrophobicContact CD2-CE2 4.34Å; Y60-Y107 AromaticContact CD2-CZ 3.69Å |
| 61 | T | 89.9 | Confident | 92.6 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -169.7 | -167.7 | 73.1 | 0 | 0 | 0 | 0 | 113.1 | F59 D63 | F59-T61 VanDerWaalsContact CB-O 3.22Å; F59-T61 WeakPolarHBondContact CB-O 3.44Å; T61-D63 PolarHBondContact OG1-OD1 3.33Å |
| 62 | F | 85.4 | Confident | 92.6 | Very high | 133 Ų | 133 | 59.8 Ų | 59.8 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -18.7 | -173 | -75.5 | -78.4 | 0 | 0 | 0 | 114.4 | I108 | F62-I108 HydrophobicContact CD1-CD1 3.46Å; F62-I108 VanDerWaalsContact CD1-CD1 3.46Å; F62-I108 HydrophobicContact CE1-CD1 3.68Å; F62-I108 HydrophobicContact CG-CD1 4.08Å; F62-I108 HydrophobicContact CZ-CD1 4.44Å |
| 63 | D | 84.5 | Confident | 93 | Very high | 130 Ų | 130 | 62.2 Ų | 62.2 | 70% | 0.695 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.4 | -27.2 | -164.8 | 58.5 | -29.3 | 0 | 0 | 0 | 113.2 | T61 K65 | T61-D63 PolarHBondContact OG1-OD1 3.33Å; D63-K65 PolarHBondContact O-N 2.97Å |
| 64 | Q | 93.5 | Very high | 93.2 | Very high | 69 Ų | 69 | 62 Ų | 62 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 100.1 | -177.8 | -174.8 | 172.6 | 11.9 | 0 | 0 | 111.9 | F59 Y60 | F59-Q64 CarbonylContact C-O 3.55Å; F59-Q64 WeakPolarHBondContact CA-O 3.38Å; Y60-Q64 PolarHBondContact N-O 2.84Å; Y60-Q64 VanDerWaalsContact O-CB 3.27Å; Y60-Q64 WeakPolarHBondContact O-CB 3.31Å; Y60-Q64 PolarHBondContact O-N 3.29Å |
| 65 | K | 95.4 | Very high | 93.4 | Very high | 66 Ų | 66 | 62.5 Ų | 62.5 | 29% | 0.287 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 138 | 172.6 | -69.7 | -173 | 177.3 | -169.3 | 0 | 111.3 | T57 F59 D63 E68 F77 | T57-K65 HydrophobicContact CG2-CD 3.96Å; T57-K65 HydrophobicContact CG2-CG 3.93Å; F59-K65 HydrophobicContact CD1-CB 4.49Å; F59-K65 HydrophobicContact CD1-CG 3.75Å; F59-K65 HydrophobicContact CE1-CB 4.48Å; F59-K65 HydrophobicContact CE1-CD 4.23Å; F59-K65 HydrophobicContact CE1-CG 3.33Å; F59-K65 HydrophobicContact CZ-CD 4.48Å; F59-K65 HydrophobicContact CZ-CG 3.93Å; D63-K65 PolarHBondContact O-N 2.97Å; K65-E68 IonicContact NZ-OE2 2.72Å; K65-E68 PolarHBondContact NZ-OE2 3.16Å; K65-F77 HydrophobicContact CB-CB 4.28Å; K65-F77 HydrophobicContact CB-CD1 4.19Å; K65-F77 HydrophobicContact CB-CD2 3.66Å; K65-F77 HydrophobicContact CB-CE1 4.46Å; K65-F77 HydrophobicContact CB-CE2 3.98Å; K65-F77 HydrophobicContact CB-CG 3.78Å; K65-F77 HydrophobicContact CB-CZ 4.37Å; K65-F77 HydrophobicContact CD-CD1 4.49Å; K65-F77 HydrophobicContact CD-CD2 4.37Å; K65-F77 HydrophobicContact CD-CE1 3.95Å; K65-F77 HydrophobicContact CD-CE2 3.84Å; K65-F77 HydrophobicContact CD-CZ 3.6Å; K65-F77 WeakPolarHBondContact O-CB 3.37Å |
| 66 | I | 96.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -57.3 | 171.4 | -55.8 | 174.2 | 0 | 0 | 0 | 109.1 | W58 F77 F81 V85 L94 Y107 | W58-I66 HydrophobicContact CB-CB 4.39Å; W58-I66 PolarHBondContact O-N 2.83Å; I66-F77 PolarHBondContact O-N 2.85Å; I66-F81 HydrophobicContact CD1-CD2 4.21Å; I66-F81 HydrophobicContact CD1-CE2 4.32Å; I66-F81 HydrophobicContact CG1-CD2 4.07Å; I66-F81 HydrophobicContact CG1-CE2 4.44Å; I66-F81 HydrophobicContact CG2-CB 4.19Å; I66-F81 HydrophobicContact CG2-CG 4.49Å; I66-V85 HydrophobicContact CG2-CB 4.43Å; I66-V85 HydrophobicContact CG2-CG1 4.36Å; I66-V85 HydrophobicContact CG2-CG2 3.87Å; I66-L94 HydrophobicContact CD1-CD2 3.77Å; I66-L94 HydrophobicContact CG2-CD2 4.47Å; I66-Y107 HydrophobicContact CD1-CD1 3.81Å; I66-Y107 HydrophobicContact CD1-CE1 3.86Å |
| 67 | V | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 142.1 | -175.8 | 60.3 | 0 | 0 | 0 | 0 | 109.9 | T57 W58 K75 Y76 L87 L94 | T57-V67 WeakPolarHBondContact CA-O 3.27Å; W58-V67 HydrophobicContact CB-CG1 3.94Å; W58-V67 HydrophobicContact CG-CG1 4.46Å; W58-V67 PolarHBondContact N-O 3.21Å; V67-K75 WeakPolarHBondContact CA-O 3.23Å; V67-Y76 HydrophobicContact CB-CD1 3.77Å; V67-Y76 HydrophobicContact CB-CE1 3.9Å; V67-Y76 HydrophobicContact CB-CG 4.5Å; V67-Y76 HydrophobicContact CG2-CD1 3.71Å; V67-Y76 HydrophobicContact CG2-CD2 4.46Å; V67-Y76 HydrophobicContact CG2-CE1 3.59Å; V67-Y76 HydrophobicContact CG2-CE2 4.35Å; V67-Y76 HydrophobicContact CG2-CG 4.16Å; V67-L87 HydrophobicContact CG1-CB 4.21Å; V67-L87 HydrophobicContact CG1-CD2 4.42Å; V67-L87 HydrophobicContact CG2-CB 4.2Å; V67-L87 HydrophobicContact CG2-CD2 4.17Å; V67-L94 HydrophobicContact CG1-CD1 3.71Å |
| 68 | E | 96.8 | Very high | 93.1 | Very high | 28 Ų | 28 | 74.7 Ų | 74.7 | 13% | 0.131 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.9 | 174.1 | -178.1 | 174.9 | 89.8 | 0 | 0 | 109.1 | Q55 L56 T57 K65 S74 K75 F77 | Q55-E68 HydrophobicContact CG-CG 3.98Å; Q55-E68 PolarHBondContact NE2-OE2 3.15Å; L56-E68 CarbonylContact O-C 3.55Å; L56-E68 WeakPolarHBondContact O-CA 3.32Å; T57-E68 HydrophobicContact CG2-CB 4.29Å; K65-E68 IonicContact NZ-OE2 2.72Å; K65-E68 PolarHBondContact NZ-OE2 3.16Å; E68-S74 CarbonylContact O-C 3.5Å; E68-S74 WeakPolarHBondContact O-CA 3.43Å; E68-K75 PolarHBondContact N-O 2.81Å; E68-K75 PolarHBondContact O-N 3.01Å; E68-F77 HydrophobicContact CB-CE2 3.64Å; E68-F77 HydrophobicContact CB-CZ 4.24Å |
| 69 | W | 96.4 | Very high | 92.8 | Very high | 50 Ų | 50 | 75.3 Ų | 75.3 | 19% | 0.189 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.5 | 171.1 | 175 | -92.9 | 0 | 0 | 0 | 109 | Y53 Q55 L56 R72 K73 S74 L87 P89 | Y53-W69 AromaticContact CE2-CD1 3.79Å; Y53-W69 PolarHBondContact OH-NE1 3.44Å; Q55-W69 VanDerWaalsContact CA-O 3.31Å; Q55-W69 WeakPolarHBondContact CA-O 3.44Å; L56-W69 HydrophobicContact CB-CB 4.37Å; L56-W69 PolarHBondContact N-O 2.82Å; L56-W69 PolarHBondContact O-N 3.31Å; W69-R72 VanDerWaalsContact CH2-C 3.44Å; W69-R72 WeakPolarHBondContact CH2-O 3.33Å; W69-R72 HydrophobicContact CZ2-CB 4.31Å; W69-K73 WeakPolarHBondContact CA-O 3.19Å; W69-S74 VanDerWaalsContact CE3-OG 3.27Å; W69-L87 HydrophobicContact CB-CD2 3.64Å; W69-L87 HydrophobicContact CG-CD2 4.44Å; W69-P89 HydrophobicContact CD2-CB 3.67Å; W69-P89 HydrophobicContact CE3-CB 3.82Å; W69-P89 HydrophobicContact CE3-CG 4.43Å; W69-P89 HydrophobicContact CG-CB 4.35Å; W69-P89 HydrophobicContact CH2-CB 3.73Å; W69-P89 HydrophobicContact CH2-CG 3.85Å; W69-P89 HydrophobicContact CZ2-CB 3.57Å; W69-P89 HydrophobicContact CZ2-CG 4.12Å; W69-P89 HydrophobicContact CZ3-CB 3.85Å; W69-P89 HydrophobicContact CZ3-CG 4.01Å |
| 70 | D | 93.4 | Very high | 92.5 | Very high | 52 Ų | 52 | 78.3 Ų | 78.3 | 28% | 0.278 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 148.4 | 175 | -179 | 7.4 | 0 | 0 | 0 | 107.9 | Q55 R72 K73 | Q55-D70 HydrophobicContact CG-CB 4.4Å; D70-R72 PolarHBondContact O-N 2.67Å; D70-K73 PolarHBondContact N-O 2.88Å; D70-K73 PolarHBondContact O-N 3.21Å; D70-K73 VanDerWaalsContact O-O 3.07Å |
| 71 | S | 86.8 | Confident | 92.5 | Very high | 97 Ų | 97 | 76.9 Ų | 76.9 | 68% | 0.678 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 37.6 | 170 | -61.7 | 0 | 0 | 0 | 0 | 113 | K73 | S71-K73 VanDerWaalsContact C-N 3.27Å; S71-K73 PolarHBondContact O-N 3.36Å |
| 72 | R | 85.1 | Confident | 92.5 | Very high | 221 Ų | 221 | 81.2 Ų | 81.2 | 83% | 0.834 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 24.9 | -178.1 | -52.8 | -173 | -178.2 | -152 | 1.3 | 115.1 | W69 D70 | W69-R72 VanDerWaalsContact CH2-C 3.44Å; W69-R72 WeakPolarHBondContact CH2-O 3.33Å; W69-R72 HydrophobicContact CZ2-CB 4.31Å; D70-R72 PolarHBondContact O-N 2.67Å |
| 73 | K | 93.3 | Very high | 92.8 | Very high | 160 Ų | 160 | 78.8 Ų | 78.8 | 70% | 0.696 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 144.2 | 177.9 | -66.3 | -176.7 | -179.8 | 179.6 | 0 | 110.8 | W69 D70 S71 | W69-K73 WeakPolarHBondContact CA-O 3.19Å; D70-K73 PolarHBondContact N-O 2.88Å; D70-K73 PolarHBondContact O-N 3.21Å; D70-K73 VanDerWaalsContact O-O 3.07Å; S71-K73 VanDerWaalsContact C-N 3.27Å; S71-K73 PolarHBondContact O-N 3.36Å |
| 74 | S | 95.2 | Very high | 93.4 | Very high | 47 Ų | 47 | 75.3 Ų | 75.3 | 33% | 0.329 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 128.3 | 169.9 | -61.8 | 0 | 0 | 0 | 0 | 109.8 | E68 W69 | E68-S74 CarbonylContact O-C 3.5Å; E68-S74 WeakPolarHBondContact O-CA 3.43Å; W69-S74 VanDerWaalsContact CE3-OG 3.27Å |
| 75 | K | 95.6 | Very high | 93.5 | Very high | 126 Ų | 126 | 73 Ų | 73 | 55% | 0.548 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 115 | 169.2 | -179.3 | -179.5 | 176.8 | -178.7 | 0 | 108.8 | V67 E68 F77 | V67-K75 WeakPolarHBondContact CA-O 3.23Å; E68-K75 PolarHBondContact N-O 2.81Å; E68-K75 PolarHBondContact O-N 3.01Å; K75-F77 HydrophobicContact CD-CE1 4.5Å; K75-F77 HydrophobicContact CD-CE2 4.42Å; K75-F77 HydrophobicContact CD-CZ 4.04Å; K75-F77 HydrophobicContact CG-CE2 4.33Å; K75-F77 HydrophobicContact CG-CZ 4.42Å |
| 76 | Y | 95.6 | Very high | 93.6 | Very high | 107 Ų | 107 | 75.7 Ų | 75.7 | 42% | 0.42 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 133 | 175.3 | -64.5 | -90.2 | 0 | 0 | 0 | 109.7 | V67 V85 L87 | V67-Y76 HydrophobicContact CB-CD1 3.77Å; V67-Y76 HydrophobicContact CB-CE1 3.9Å; V67-Y76 HydrophobicContact CB-CG 4.5Å; V67-Y76 HydrophobicContact CG2-CD1 3.71Å; V67-Y76 HydrophobicContact CG2-CD2 4.46Å; V67-Y76 HydrophobicContact CG2-CE1 3.59Å; V67-Y76 HydrophobicContact CG2-CE2 4.35Å; V67-Y76 HydrophobicContact CG2-CG 4.16Å; Y76-V85 HydrophobicContact CD1-CG2 3.92Å; Y76-V85 HydrophobicContact CE1-CG2 4.02Å; Y76-L87 PolarHBondContact OH-N 2.88Å; Y76-L87 VanDerWaalsContact OH-N 3.16Å |
| 77 | F | 94.4 | Very high | 93.6 | Very high | 52 Ų | 52 | 76 Ų | 76 | 23% | 0.228 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -94.7 | 153.9 | -179.6 | -67.3 | -99.2 | 0 | 0 | 0 | 110.7 | K65 I66 E68 K75 S79 | K65-F77 HydrophobicContact CB-CB 4.28Å; K65-F77 HydrophobicContact CB-CD1 4.19Å; K65-F77 HydrophobicContact CB-CD2 3.66Å; K65-F77 HydrophobicContact CB-CE1 4.46Å; K65-F77 HydrophobicContact CB-CE2 3.98Å; K65-F77 HydrophobicContact CB-CG 3.78Å; K65-F77 HydrophobicContact CB-CZ 4.37Å; K65-F77 HydrophobicContact CD-CD1 4.49Å; K65-F77 HydrophobicContact CD-CD2 4.37Å; K65-F77 HydrophobicContact CD-CE1 3.95Å; K65-F77 HydrophobicContact CD-CE2 3.84Å; K65-F77 HydrophobicContact CD-CZ 3.6Å; K65-F77 WeakPolarHBondContact O-CB 3.37Å; I66-F77 PolarHBondContact O-N 2.85Å; E68-F77 HydrophobicContact CB-CE2 3.64Å; E68-F77 HydrophobicContact CB-CZ 4.24Å; K75-F77 HydrophobicContact CD-CE1 4.5Å; K75-F77 HydrophobicContact CD-CE2 4.42Å; K75-F77 HydrophobicContact CD-CZ 4.04Å; K75-F77 HydrophobicContact CG-CE2 4.33Å; K75-F77 HydrophobicContact CG-CZ 4.42Å; F77-S79 PolarHBondContact O-N 3.31Å; F77-S79 VanDerWaalsContact O-N 3.14Å; F77-S79 PolarHBondContact O-OG 2.8Å |
| 78 | E | 92.8 | Very high | 93.5 | Very high | 139 Ų | 139 | 77.4 Ų | 77.4 | 65% | 0.65 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -64.4 | 117.1 | 176.9 | -163.2 | 63.9 | -146.4 | 0 | 0 | 109.7 | K82 | E78-K82 VanDerWaalsContact CD-NZ 3.33Å; E78-K82 WeakPolarHBondContact OE1-CD 3.4Å; E78-K82 IonicContact OE1-NZ 3.18Å; E78-K82 PolarHBondContact OE1-NZ 2.95Å; E78-K82 WeakPolarHBondContact OE2-CD 3.21Å; E78-K82 WeakPolarHBondContact OE2-CE 3.22Å; E78-K82 IonicContact OE2-NZ 2.67Å; E78-K82 PolarHBondContact OE2-NZ 3.13Å |
| 79 | S | 90.1 | Very high | 93.1 | Very high | 14 Ų | 14 | 78 Ų | 78 | 10% | 0.098 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -161.8 | 168.3 | -178.1 | 64.1 | 0 | 0 | 0 | 0 | 109.4 | F77 F81 K82 | F77-S79 PolarHBondContact O-N 3.31Å; F77-S79 VanDerWaalsContact O-N 3.14Å; F77-S79 PolarHBondContact O-OG 2.8Å; S79-F81 PolarHBondContact O-N 3.17Å; S79-F81 PolarHBondContact OG-N 3.3Å; S79-K82 WeakPolarHBondContact O-CB 3.4Å; S79-K82 PolarHBondContact O-N 2.83Å |
| 80 | K | 91 | Very high | 92.8 | Very high | 79 Ų | 79 | 84 Ų | 84 | 34% | 0.343 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -6.7 | 173.4 | 63.3 | 167.3 | 178.6 | 158.1 | 0 | 114.8 | Y60 R84 E102 D103 | Y60-K80 VanDerWaalsContact CZ-NZ 3.32Å; Y60-K80 VanDerWaalsContact OH-CE 3.26Å; Y60-K80 WeakPolarHBondContact OH-CE 3.22Å; Y60-K80 PolarHBondContact OH-NZ 2.86Å; K80-R84 PolarHBondContact O-NE 2.95Å; K80-R84 PolarHBondContact O-NH2 2.8Å; K80-E102 VanDerWaalsContact NZ-C 3.28Å; K80-E102 PolarHBondContact NZ-O 3.37Å; K80-D103 WeakPolarHBondContact CE-OD1 3.28Å; K80-D103 IonicContact NZ-OD1 2.86Å; K80-D103 PolarHBondContact NZ-OD1 2.93Å |
| 81 | F | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -8.2 | 178.3 | -64.1 | -68.9 | 0 | 0 | 0 | 113.4 | Y60 I66 S79 G83 R84 V85 I96 D103 Y107 | Y60-F81 AromaticContact CD1-CE2 3.94Å; Y60-F81 HydrophobicContact CD1-CE2 3.94Å; Y60-F81 AromaticContact CD2-CE2 3.41Å; Y60-F81 HydrophobicContact CD2-CE2 3.41Å; Y60-F81 VanDerWaalsContact CD2-CE2 3.41Å; Y60-F81 AromaticContact CD2-CZ 3.3Å; Y60-F81 HydrophobicContact CD2-CZ 3.3Å; Y60-F81 HydrophobicContact CE1-CE2 4.49Å; Y60-F81 HydrophobicContact CE2-CE2 4Å; Y60-F81 AromaticContact CE2-CZ 3.62Å; Y60-F81 HydrophobicContact CE2-CZ 3.62Å; Y60-F81 AromaticContact CG-CE2 3.36Å; Y60-F81 HydrophobicContact CG-CE2 3.36Å; Y60-F81 AromaticContact CG-CZ 3.8Å; Y60-F81 HydrophobicContact CG-CZ 3.8Å; I66-F81 HydrophobicContact CD1-CD2 4.21Å; I66-F81 HydrophobicContact CD1-CE2 4.32Å; I66-F81 HydrophobicContact CG1-CD2 4.07Å; I66-F81 HydrophobicContact CG1-CE2 4.44Å; I66-F81 HydrophobicContact CG2-CB 4.19Å; I66-F81 HydrophobicContact CG2-CG 4.49Å; S79-F81 PolarHBondContact O-N 3.17Å; S79-F81 PolarHBondContact OG-N 3.3Å; F81-G83 PolarHBondContact O-N 2.9Å; F81-R84 WeakPolarHBondContact O-CA 3.37Å; F81-R84 WeakPolarHBondContact O-CB 3.26Å; F81-R84 PolarHBondContact O-N 2.81Å; F81-V85 HydrophobicContact CB-CB 4.48Å; F81-V85 HydrophobicContact CB-CG1 3.63Å; F81-V85 HydrophobicContact CB-CG2 4.06Å; F81-V85 HydrophobicContact CD1-CG1 4.07Å; F81-V85 HydrophobicContact CG-CG1 4.14Å; F81-V85 WeakPolarHBondContact O-CG2 3.37Å; F81-V85 PolarHBondContact O-N 2.86Å; F81-I96 HydrophobicContact CD1-CG2 4.1Å; F81-I96 HydrophobicContact CE1-CD1 4.49Å; F81-I96 HydrophobicContact CE1-CG2 4.37Å; F81-D103 HydrophobicContact CE1-CB 4.3Å; F81-Y107 HydrophobicContact CE1-CE1 4.22Å; F81-Y107 WeakPolarHBondContact CE1-OH 3.42Å; F81-Y107 AromaticContact CZ-CE1 3.91Å; F81-Y107 HydrophobicContact CZ-CE1 3.91Å; F81-Y107 AromaticContact CZ-CZ 3.98Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.46Å |
| 82 | K | 89.3 | Confident | 93.1 | Very high | 134 Ų | 134 | 79.3 Ų | 79.3 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 129.9 | -178.9 | -173.2 | 172.3 | 179.6 | 177.5 | 0 | 111.2 | E78 S79 R84 | E78-K82 VanDerWaalsContact CD-NZ 3.33Å; E78-K82 WeakPolarHBondContact OE1-CD 3.4Å; E78-K82 IonicContact OE1-NZ 3.18Å; E78-K82 PolarHBondContact OE1-NZ 2.95Å; E78-K82 WeakPolarHBondContact OE2-CD 3.21Å; E78-K82 WeakPolarHBondContact OE2-CE 3.22Å; E78-K82 IonicContact OE2-NZ 2.67Å; E78-K82 PolarHBondContact OE2-NZ 3.13Å; S79-K82 WeakPolarHBondContact O-CB 3.4Å; S79-K82 PolarHBondContact O-N 2.83Å; K82-R84 PolarHBondContact O-N 2.91Å |
| 83 | G | 92.2 | Very high | 93.7 | Very high | 83 Ų | 83 | 68.9 Ų | 68.9 | 86% | 0.856 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -5.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F81 | F81-G83 PolarHBondContact O-N 2.9Š|
| 84 | R | 96.4 | Very high | 93.9 | Very high | 56 Ų | 56 | 61.2 Ų | 61.2 | 21% | 0.211 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -11.1 | 178 | -60.8 | -169.2 | -61.9 | 124.1 | -7.5 | 114 | K80 F81 K82 S97 D103 | K80-R84 PolarHBondContact O-NE 2.95Å; K80-R84 PolarHBondContact O-NH2 2.8Å; F81-R84 WeakPolarHBondContact O-CA 3.37Å; F81-R84 WeakPolarHBondContact O-CB 3.26Å; F81-R84 PolarHBondContact O-N 2.81Å; K82-R84 PolarHBondContact O-N 2.91Å; R84-S97 WeakPolarHBondContact CA-OG 3.23Å; R84-S97 PolarHBondContact NH1-O 2.74Å; R84-S97 PolarHBondContact O-N 3.06Å; R84-S97 PolarHBondContact O-OG 2.8Å; R84-D103 IonicContact CZ-OD2 3.48Å; R84-D103 IonicContact NH1-OD2 2.82Å; R84-D103 PolarHBondContact NH1-OD2 2.92Å; R84-D103 IonicContact NH2-OD1 2.9Å; R84-D103 PolarHBondContact NH2-OD1 2.86Å; R84-D103 IonicContact NH2-OD2 3.31Å; R84-D103 PolarHBondContact NH2-OD2 2.75Å |
| 85 | V | 97 | Very high | 94 | Very high | 20 Ų | 20 | 62.4 Ų | 62.4 | 12% | 0.121 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148.9 | -174.8 | -65.7 | 0 | 0 | 0 | 0 | 114.2 | I66 Y76 F81 L94 Y95 I96 | I66-V85 HydrophobicContact CG2-CB 4.43Å; I66-V85 HydrophobicContact CG2-CG1 4.36Å; I66-V85 HydrophobicContact CG2-CG2 3.87Å; Y76-V85 HydrophobicContact CD1-CG2 3.92Å; Y76-V85 HydrophobicContact CE1-CG2 4.02Å; F81-V85 HydrophobicContact CB-CB 4.48Å; F81-V85 HydrophobicContact CB-CG1 3.63Å; F81-V85 HydrophobicContact CB-CG2 4.06Å; F81-V85 HydrophobicContact CD1-CG1 4.07Å; F81-V85 HydrophobicContact CG-CG1 4.14Å; F81-V85 WeakPolarHBondContact O-CG2 3.37Å; F81-V85 PolarHBondContact O-N 2.86Å; V85-L94 HydrophobicContact CB-CD1 4.28Å; V85-Y95 CarbonylContact C-O 3.55Å; V85-Y95 WeakPolarHBondContact CA-O 3.33Å; V85-I96 HydrophobicContact CG1-CB 4.24Å; V85-I96 HydrophobicContact CG1-CG1 3.96Å; V85-I96 HydrophobicContact CG1-CG2 3.98Å |
| 86 | R | 96.8 | Very high | 94.1 | Very high | 124 Ų | 124 | 56.5 Ų | 56.5 | 47% | 0.468 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 135 | 172.2 | -175.9 | -177.8 | 68.3 | 83.3 | -1.2 | 109.4 | Y95 | R86-Y95 PolarHBondContact N-O 3.35Å; R86-Y95 VanDerWaalsContact NH2-CD2 3.31Å; R86-Y95 WeakPolarHBondContact O-CD2 3.42Å; R86-Y95 PolarHBondContact O-N 3.08Å |
| 87 | L | 96.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 137.7 | 169.8 | -177.3 | 65.2 | 0 | 0 | 0 | 110.4 | L56 V67 W69 Y76 | L56-L87 HydrophobicContact CD2-CD1 3.99Å; L56-L87 HydrophobicContact CD2-CD2 4.16Å; V67-L87 HydrophobicContact CG1-CB 4.21Å; V67-L87 HydrophobicContact CG1-CD2 4.42Å; V67-L87 HydrophobicContact CG2-CB 4.2Å; V67-L87 HydrophobicContact CG2-CD2 4.17Å; W69-L87 HydrophobicContact CB-CD2 3.64Å; W69-L87 HydrophobicContact CG-CD2 4.44Å; Y76-L87 PolarHBondContact OH-N 2.88Å; Y76-L87 VanDerWaalsContact OH-N 3.16Å |
| 88 | D | 95.1 | Very high | 94.4 | Very high | 30 Ų | 30 | 57.4 Ų | 57.4 | 16% | 0.16 | 29% | 0.293 | C | S | . | . | trans | -97 | 110.4 | 158.7 | 172.2 | 14.5 | 0 | 0 | 0 | 109.6 | Q90 S91 G92 A93 Y95 | D88-Q90 VanDerWaalsContact C-N 3.26Å; D88-Q90 PolarHBondContact O-N 2.61Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.42Å; D88-Q90 PolarHBondContact OD1-N 2.8Å; D88-S91 WeakPolarHBondContact OD2-CB 3.43Å; D88-S91 PolarHBondContact OD2-OG 2.99Å; D88-G92 CarbonylContact O-C 3.58Å; D88-G92 WeakPolarHBondContact O-CA 3.42Å; D88-G92 PolarHBondContact O-N 2.87Å; D88-A93 PolarHBondContact N-O 2.9Å; D88-A93 PolarHBondContact O-N 2.89Å; D88-Y95 HydrophobicContact CB-CD2 4.47Å; D88-Y95 HydrophobicContact CB-CE2 3.59Å | ||
| 89 | P | 88.9 | Confident | 94.6 | Very high | 40 Ų | 40 | 50.8 Ų | 50.8 | 26% | 0.26 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -13.8 | -176.5 | 31.2 | -35.5 | 0 | 0 | 0 | 113.8 | Y53 W69 | Y53-P89 PolarHBondContact OH-O 3.36Å; W69-P89 HydrophobicContact CD2-CB 3.67Å; W69-P89 HydrophobicContact CE3-CB 3.82Å; W69-P89 HydrophobicContact CE3-CG 4.43Å; W69-P89 HydrophobicContact CG-CB 4.35Å; W69-P89 HydrophobicContact CH2-CB 3.73Å; W69-P89 HydrophobicContact CH2-CG 3.85Å; W69-P89 HydrophobicContact CZ2-CB 3.57Å; W69-P89 HydrophobicContact CZ2-CG 4.12Å; W69-P89 HydrophobicContact CZ3-CB 3.85Å; W69-P89 HydrophobicContact CZ3-CG 4.01Å |
| 90 | Q | 89.5 | Confident | 94.8 | Very high | 178 Ų | 178 | 53.9 Ų | 53.9 | 83% | 0.832 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -48.6 | 177.4 | -66.9 | -170.6 | -19.3 | 0 | 0 | 111.1 | D88 | D88-Q90 VanDerWaalsContact C-N 3.26Å; D88-Q90 PolarHBondContact O-N 2.61Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.42Å; D88-Q90 PolarHBondContact OD1-N 2.8Å |
| 91 | S | 93.1 | Very high | 95 | Very high | 48 Ų | 48 | 52.7 Ų | 52.7 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -19.6 | 179.2 | 62.5 | 0 | 0 | 0 | 0 | 113.6 | D88 A93 | D88-S91 WeakPolarHBondContact OD2-CB 3.43Å; D88-S91 PolarHBondContact OD2-OG 2.99Å; S91-A93 PolarHBondContact O-N 2.88Å; S91-A93 VanDerWaalsContact OG-CB 3.23Å; S91-A93 WeakPolarHBondContact OG-CB 3.25Å; S91-A93 PolarHBondContact OG-N 3.42Å; S91-A93 VanDerWaalsContact OG-N 3.17Å |
| 92 | G | 94.3 | Very high | 95 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | trans | 77.9 | 3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | W58 D88 | W58-G92 PolarHBondContact NE1-O 3.19Å; D88-G92 CarbonylContact O-C 3.58Å; D88-G92 WeakPolarHBondContact O-CA 3.42Å; D88-G92 PolarHBondContact O-N 2.87Å | ||
| 93 | A | 96.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.017 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 136.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T42 L43 N44 D88 S91 Y95 | T42-A93 HydrophobicContact CG2-CB 3.81Å; L43-A93 CarbonylContact O-C 3.57Å; L43-A93 VanDerWaalsContact O-CA 3.28Å; L43-A93 WeakPolarHBondContact O-CA 3.24Å; N44-A93 HydrophobicContact CB-CB 4.08Å; D88-A93 PolarHBondContact N-O 2.9Å; D88-A93 PolarHBondContact O-N 2.89Å; S91-A93 PolarHBondContact O-N 2.88Å; S91-A93 VanDerWaalsContact OG-CB 3.23Å; S91-A93 WeakPolarHBondContact OG-CB 3.25Å; S91-A93 PolarHBondContact OG-N 3.42Å; S91-A93 VanDerWaalsContact OG-N 3.17Å; A93-Y95 HydrophobicContact CB-CE2 4.08Å |
| 94 | L | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 116.3 | 174.4 | -174.3 | 71.7 | 0 | 0 | 0 | 110 | L43 W58 I66 V67 V85 I96 | L43-L94 HydrophobicContact CB-CB 4.28Å; L43-L94 HydrophobicContact CD1-CD2 4.34Å; L43-L94 PolarHBondContact N-O 2.81Å; L43-L94 PolarHBondContact O-N 3.18Å; W58-L94 HydrophobicContact CB-CD2 4.1Å; W58-L94 HydrophobicContact CD2-CB 3.9Å; W58-L94 HydrophobicContact CD2-CD2 4Å; W58-L94 HydrophobicContact CE3-CD2 4.23Å; W58-L94 HydrophobicContact CG-CB 4.07Å; W58-L94 HydrophobicContact CG-CD1 4.38Å; W58-L94 HydrophobicContact CG-CD2 3.96Å; W58-L94 HydrophobicContact CG-CG 4.37Å; W58-L94 HydrophobicContact CZ2-CB 4.12Å; I66-L94 HydrophobicContact CD1-CD2 3.77Å; I66-L94 HydrophobicContact CG2-CD2 4.47Å; V67-L94 HydrophobicContact CG1-CD1 3.71Å; V85-L94 HydrophobicContact CB-CD1 4.28Å; L94-I96 HydrophobicContact CD2-CD1 4.1Å; L94-I96 HydrophobicContact CD2-CG1 4.19Å; L94-I96 HydrophobicContact CG-CG1 4.17Å |
| 95 | Y | 97.9 | Very high | 95.4 | Very high | 72 Ų | 72 | 50 Ų | 50 | 28% | 0.282 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.3 | 173.8 | -59.8 | -96.3 | 0 | 0 | 0 | 108.6 | V41 T42 V85 R86 D88 A93 | V41-Y95 WeakPolarHBondContact O-CA 3.5Å; T42-Y95 HydrophobicContact CG2-CD1 3.97Å; T42-Y95 HydrophobicContact CG2-CE1 3.69Å; T42-Y95 HydrophobicContact CG2-CE2 4.42Å; T42-Y95 HydrophobicContact CG2-CG 4.49Å; T42-Y95 WeakPolarHBondContact OG1-CD1 3.42Å; T42-Y95 VanDerWaalsContact OG1-CE1 3.3Å; T42-Y95 WeakPolarHBondContact OG1-CE1 3.47Å; V85-Y95 CarbonylContact C-O 3.55Å; V85-Y95 WeakPolarHBondContact CA-O 3.33Å; R86-Y95 PolarHBondContact N-O 3.35Å; R86-Y95 VanDerWaalsContact NH2-CD2 3.31Å; R86-Y95 WeakPolarHBondContact O-CD2 3.42Å; R86-Y95 PolarHBondContact O-N 3.08Å; D88-Y95 HydrophobicContact CB-CD2 4.47Å; D88-Y95 HydrophobicContact CB-CE2 3.59Å; A93-Y95 HydrophobicContact CB-CE2 4.08Å |
| 96 | I | 98.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 123.3 | 176 | -43 | -177.4 | 0 | 0 | 0 | 108.1 | N40 V41 L43 F81 V85 L94 V99 Y107 | N40-I96 WeakPolarHBondContact CA-O 3.21Å; V41-I96 HydrophobicContact CG1-CB 3.86Å; V41-I96 HydrophobicContact CG1-CD1 4.45Å; V41-I96 HydrophobicContact CG1-CG1 4.26Å; V41-I96 PolarHBondContact N-O 3.48Å; V41-I96 PolarHBondContact O-N 2.88Å; L43-I96 HydrophobicContact CD1-CD1 3.79Å; L43-I96 HydrophobicContact CG-CD1 4.26Å; F81-I96 HydrophobicContact CD1-CG2 4.1Å; F81-I96 HydrophobicContact CE1-CD1 4.49Å; F81-I96 HydrophobicContact CE1-CG2 4.37Å; V85-I96 HydrophobicContact CG1-CB 4.24Å; V85-I96 HydrophobicContact CG1-CG1 3.96Å; V85-I96 HydrophobicContact CG1-CG2 3.98Å; L94-I96 HydrophobicContact CD2-CD1 4.1Å; L94-I96 HydrophobicContact CD2-CG1 4.19Å; L94-I96 HydrophobicContact CG-CG1 4.17Å; I96-V99 HydrophobicContact CB-CG1 4.06Å; I96-V99 HydrophobicContact CG2-CG1 3.85Å; I96-Y107 HydrophobicContact CD1-CD1 4.32Å; I96-Y107 HydrophobicContact CD1-CE1 3.65Å |
| 97 | S | 97.9 | Very high | 95.4 | Very high | 38 Ų | 38 | 45.2 Ų | 45.2 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -93.9 | 146.9 | 178.3 | 59.6 | 0 | 0 | 0 | 0 | 112.2 | N40 R84 V99 | N40-S97 VanDerWaalsContact OD1-CA 3.24Å; N40-S97 WeakPolarHBondContact OD1-CA 3.36Å; N40-S97 WeakPolarHBondContact OD1-CB 3.47Å; R84-S97 WeakPolarHBondContact CA-OG 3.23Å; R84-S97 PolarHBondContact NH1-O 2.74Å; R84-S97 PolarHBondContact O-N 3.06Å; R84-S97 PolarHBondContact O-OG 2.8Å; S97-V99 PolarHBondContact O-N 3.24Å |
| 98 | K | 96.8 | Very high | 95.4 | Very high | 140 Ų | 140 | 45 Ų | 45 | 61% | 0.609 | 23% | 0.227 | S | C | * | . | S | Bend | trans | 47 | 55.6 | 176.7 | -59 | -179.9 | -179.6 | 179.5 | 0 | 112.3 | S39 N40 Q100 | S39-K98 CarbonylContact O-C 3.57Å; S39-K98 VanDerWaalsContact O-CA 3.25Å; S39-K98 WeakPolarHBondContact O-CA 3.47Å; S39-K98 PolarHBondContact O-N 3.24Å; S39-K98 VanDerWaalsContact O-N 3.08Å; N40-K98 PolarHBondContact OD1-N 3.21Å; K98-Q100 PolarHBondContact O-NE2 3.3Å |
| 99 | V | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -57.9 | 140.2 | 179.2 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | V35 G38 S39 V41 I96 S97 V127 | V35-V99 HydrophobicContact CG2-CG2 3.88Å; G38-V99 PolarHBondContact N-O 3.31Å; S39-V99 WeakPolarHBondContact O-CG2 3.41Å; S39-V99 PolarHBondContact O-N 3.16Å; V41-V99 HydrophobicContact CB-CG1 4.32Å; V41-V99 HydrophobicContact CG1-CG1 3.48Å; V41-V99 VanDerWaalsContact CG1-CG1 3.48Å; I96-V99 HydrophobicContact CB-CG1 4.06Å; I96-V99 HydrophobicContact CG2-CG1 3.85Å; S97-V99 PolarHBondContact O-N 3.24Å; V99-V127 HydrophobicContact CB-CG1 4.42Å; V99-V127 HydrophobicContact CB-CG2 4.1Å; V99-V127 HydrophobicContact CG2-CG1 3.92Å; V99-V127 HydrophobicContact CG2-CG2 4.12Å | ||
| 100 | Q | 95.4 | Very high | 95.7 | Very high | 79 Ų | 79 | 44.2 Ų | 44.2 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | trans | -115.3 | 165.5 | 178 | -56.3 | -59.4 | -50.6 | 0 | 0 | 110.4 | K98 E102 D103 V127 | K98-Q100 PolarHBondContact O-NE2 3.3Å; Q100-E102 VanDerWaalsContact CB-OE2 3.23Å; Q100-E102 WeakPolarHBondContact CB-OE2 3.26Å; Q100-E102 PolarHBondContact O-N 2.66Å; Q100-D103 PolarHBondContact N-OD2 2.78Å; Q100-D103 VanDerWaalsContact N-OD2 3.15Å; Q100-D103 WeakPolarHBondContact O-CA 3.49Å; Q100-D103 VanDerWaalsContact O-CB 3.26Å; Q100-D103 WeakPolarHBondContact O-CB 3.5Å; Q100-D103 PolarHBondContact O-N 3.34Å; Q100-V127 WeakPolarHBondContact O-CB 3.16Å | ||
| 101 | K | 93.4 | Very high | 95.9 | Very high | 54 Ų | 54 | 35.7 Ų | 35.7 | 24% | 0.235 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -57.8 | -31.1 | 178.7 | -172.5 | 168.9 | 175 | 174 | 0 | 112.6 | D103 N104 D129 E159 | K101-D103 PolarHBondContact O-N 2.78Å; K101-N104 VanDerWaalsContact O-CB 3.28Å; K101-N104 WeakPolarHBondContact O-CB 3.37Å; K101-N104 PolarHBondContact O-N 3.2Å; K101-N104 PolarHBondContact O-ND2 2.89Å; K101-N104 VanDerWaalsContact O-ND2 3.16Å; K101-N104 PolarHBondContact O-OD1 3.33Å; K101-D129 WeakPolarHBondContact CD-OD2 3.41Å; K101-E159 WeakPolarHBondContact CE-OE1 3.4Å; K101-E159 IonicContact NZ-OE1 2.67Å; K101-E159 PolarHBondContact NZ-OE1 2.81Å; K101-E159 IonicContact NZ-OE2 2.72Å; K101-E159 PolarHBondContact NZ-OE2 2.96Å |
| 102 | E | 93.9 | Very high | 96 | Very high | 131 Ų | 131 | 35.6 Ų | 35.6 | 61% | 0.612 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -71.8 | -15.3 | 177.3 | -56.6 | 68.7 | -142.9 | 0 | 0 | 112.3 | Y60 K80 Q100 N104 | Y60-E102 PolarHBondContact OH-O 2.8Å; K80-E102 VanDerWaalsContact NZ-C 3.28Å; K80-E102 PolarHBondContact NZ-O 3.37Å; Q100-E102 VanDerWaalsContact CB-OE2 3.23Å; Q100-E102 WeakPolarHBondContact CB-OE2 3.26Å; Q100-E102 PolarHBondContact O-N 2.66Å; E102-N104 PolarHBondContact O-N 2.92Å |
| 103 | D | 95.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -77.3 | 1 | 174.4 | -64 | -26.4 | 0 | 0 | 0 | 113 | K80 F81 R84 Q100 K101 S105 Y107 | K80-D103 WeakPolarHBondContact CE-OD1 3.28Å; K80-D103 IonicContact NZ-OD1 2.86Å; K80-D103 PolarHBondContact NZ-OD1 2.93Å; F81-D103 HydrophobicContact CE1-CB 4.3Å; R84-D103 IonicContact CZ-OD2 3.48Å; R84-D103 IonicContact NH1-OD2 2.82Å; R84-D103 PolarHBondContact NH1-OD2 2.92Å; R84-D103 IonicContact NH2-OD1 2.9Å; R84-D103 PolarHBondContact NH2-OD1 2.86Å; R84-D103 IonicContact NH2-OD2 3.31Å; R84-D103 PolarHBondContact NH2-OD2 2.75Å; Q100-D103 PolarHBondContact N-OD2 2.78Å; Q100-D103 VanDerWaalsContact N-OD2 3.15Å; Q100-D103 WeakPolarHBondContact O-CA 3.49Å; Q100-D103 VanDerWaalsContact O-CB 3.26Å; Q100-D103 WeakPolarHBondContact O-CB 3.5Å; Q100-D103 PolarHBondContact O-N 3.34Å; K101-D103 PolarHBondContact O-N 2.78Å; D103-S105 PolarHBondContact O-N 3.44Å; D103-Y107 WeakPolarHBondContact O-CE2 3.49Å; D103-Y107 PolarHBondContact O-OH 2.85Å |
| 104 | N | 95.3 | Very high | 95.7 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 32% | 0.316 | 22% | 0.215 | S | C | . | . | trans | -57.6 | 114.8 | 171.4 | -72.3 | -3.6 | 0 | 0 | 0 | 111.4 | K101 E102 L125 V127 | K101-N104 VanDerWaalsContact O-CB 3.28Å; K101-N104 WeakPolarHBondContact O-CB 3.37Å; K101-N104 PolarHBondContact O-N 3.2Å; K101-N104 PolarHBondContact O-ND2 2.89Å; K101-N104 VanDerWaalsContact O-ND2 3.16Å; K101-N104 PolarHBondContact O-OD1 3.33Å; E102-N104 PolarHBondContact O-N 2.92Å; N104-L125 WeakPolarHBondContact CA-O 3.35Å; N104-V127 PolarHBondContact ND2-O 2.73Å; N104-V127 VanDerWaalsContact OD1-CA 3.3Å; N104-V127 WeakPolarHBondContact OD1-CA 3.22Å; N104-V127 WeakPolarHBondContact OD1-CB 3.2Å; N104-V127 WeakPolarHBondContact OD1-CG2 3.23Å; N104-V127 PolarHBondContact OD1-N 2.8Å; N104-V127 PolarHBondContact OD1-O 2.71Å | ||
| 105 | S | 96.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 172.7 | 179.7 | -166 | 0 | 0 | 0 | 0 | 111.4 | D103 L125 | D103-S105 PolarHBondContact O-N 3.44Å; S105-L125 PolarHBondContact N-O 3.01Å; S105-L125 PolarHBondContact O-N 2.89Å |
| 106 | T | 96.6 | Very high | 95 | Very high | 44 Ų | 44 | 49.9 Ų | 49.9 | 27% | 0.27 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 109.4 | 161.8 | -57.9 | 0 | 0 | 0 | 0 | 107.8 | L30 I108 K122 I123 | L30-T106 HydrophobicContact CD1-CG2 4.17Å; T106-I108 HydrophobicContact CG2-CG1 4.47Å; T106-K122 HydrophobicContact CG2-CB 3.97Å; T106-K122 HydrophobicContact CG2-CD 4.47Å; T106-K122 HydrophobicContact CG2-CG 4.34Å; T106-I123 CarbonylContact C-O 3.54Å; T106-I123 WeakPolarHBondContact CA-O 3.39Å |
| 107 | Y | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 140.9 | 173.9 | -67.5 | -103.1 | 0 | 0 | 0 | 109 | L43 F59 Y60 I66 F81 I96 D103 K122 I123 L125 | L43-Y107 HydrophobicContact CD1-CD1 3.56Å; L43-Y107 HydrophobicContact CD1-CD2 3.9Å; L43-Y107 HydrophobicContact CD1-CE1 4.13Å; L43-Y107 HydrophobicContact CD1-CE2 4.46Å; L43-Y107 HydrophobicContact CD1-CG 3.42Å; L43-Y107 VanDerWaalsContact CD1-CG 3.42Å; F59-Y107 WeakPolarHBondContact O-CA 3.34Å; Y60-Y107 HydrophobicContact CD2-CD1 4.5Å; Y60-Y107 AromaticContact CD2-CE1 3.79Å; Y60-Y107 HydrophobicContact CD2-CE1 3.79Å; Y60-Y107 HydrophobicContact CD2-CE2 4.34Å; Y60-Y107 AromaticContact CD2-CZ 3.69Å; I66-Y107 HydrophobicContact CD1-CD1 3.81Å; I66-Y107 HydrophobicContact CD1-CE1 3.86Å; F81-Y107 HydrophobicContact CE1-CE1 4.22Å; F81-Y107 WeakPolarHBondContact CE1-OH 3.42Å; F81-Y107 AromaticContact CZ-CE1 3.91Å; F81-Y107 HydrophobicContact CZ-CE1 3.91Å; F81-Y107 AromaticContact CZ-CZ 3.98Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.46Å; I96-Y107 HydrophobicContact CD1-CD1 4.32Å; I96-Y107 HydrophobicContact CD1-CE1 3.65Å; D103-Y107 WeakPolarHBondContact O-CE2 3.49Å; D103-Y107 PolarHBondContact O-OH 2.85Å; Y107-K122 WeakPolarHBondContact O-CA 3.3Å; Y107-I123 PolarHBondContact N-O 3Å; Y107-I123 PolarHBondContact O-N 2.87Å; Y107-L125 HydrophobicContact CD2-CB 3.86Å; Y107-L125 HydrophobicContact CD2-CD2 4.42Å; Y107-L125 HydrophobicContact CE2-CB 3.69Å; Y107-L125 HydrophobicContact CE2-CD2 3.68Å; Y107-L125 HydrophobicContact CE2-CG 4.33Å |
| 108 | I | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.4 | -173.7 | -49.8 | 179.9 | 0 | 0 | 0 | 108.6 | W58 F59 F62 T106 R110 E120 W121 K122 | W58-I108 CarbonylContact C-O 3.55Å; W58-I108 WeakPolarHBondContact CA-O 3.47Å; F59-I108 HydrophobicContact CB-CB 4.27Å; F59-I108 PolarHBondContact N-O 2.87Å; F59-I108 PolarHBondContact O-N 2.82Å; F62-I108 HydrophobicContact CD1-CD1 3.46Å; F62-I108 VanDerWaalsContact CD1-CD1 3.46Å; F62-I108 HydrophobicContact CE1-CD1 3.68Å; F62-I108 HydrophobicContact CG-CD1 4.08Å; F62-I108 HydrophobicContact CZ-CD1 4.44Å; T106-I108 HydrophobicContact CG2-CG1 4.47Å; I108-R110 HydrophobicContact CG2-CG 4.15Å; I108-E120 HydrophobicContact CG2-CG 3.38Å; I108-E120 WeakPolarHBondContact CG2-OE2 3.28Å; I108-W121 WeakPolarHBondContact CA-O 3.23Å; I108-K122 HydrophobicContact CG1-CG 4.37Å |
| 109 | M | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.1 | 168.3 | -169.2 | 178 | 74.3 | 0 | 0 | 108.6 | I45 L49 L56 T57 W58 V111 E120 W121 | I45-M109 HydrophobicContact CB-CE 4.31Å; I45-M109 HydrophobicContact CD1-CE 3.71Å; I45-M109 HydrophobicContact CG1-CE 3.94Å; I45-M109 HydrophobicContact CG2-CE 3.41Å; I45-M109 VanDerWaalsContact CG2-CE 3.41Å; I45-M109 HydrophobicContact CG2-SD 4.41Å; L49-M109 HydrophobicContact CD2-CE 3.91Å; L49-M109 HydrophobicContact CD2-SD 4.36Å; L56-M109 HydrophobicContact CD1-CG 4.46Å; L56-M109 HydrophobicContact CD1-SD 3.91Å; L56-M109 HydrophobicContact CD2-CG 4.34Å; L56-M109 HydrophobicContact CG-CG 4.19Å; L56-M109 HydrophobicContact CG-SD 4.28Å; T57-M109 WeakPolarHBondContact O-CA 3.38Å; W58-M109 HydrophobicContact CD2-CB 3.98Å; W58-M109 HydrophobicContact CD2-CG 4.21Å; W58-M109 HydrophobicContact CE3-CB 4.02Å; W58-M109 HydrophobicContact CH2-CB 3.8Å; W58-M109 HydrophobicContact CZ2-CB 3.75Å; W58-M109 HydrophobicContact CZ2-CG 3.99Å; W58-M109 HydrophobicContact CZ2-SD 3.71Å; W58-M109 HydrophobicContact CZ3-CB 3.93Å; M109-V111 HydrophobicContact CE-CG2 4.12Å; M109-V111 HydrophobicContact CG-CG2 4.43Å; M109-E120 CarbonylContact O-C 3.59Å; M109-E120 WeakPolarHBondContact O-CA 3.49Å; M109-W121 HydrophobicContact CE-CD2 3.82Å; M109-W121 HydrophobicContact CE-CE3 3.32Å; M109-W121 HydrophobicContact CE-CG 4.43Å; M109-W121 HydrophobicContact CE-CH2 4.35Å; M109-W121 HydrophobicContact CE-CZ3 3.65Å; M109-W121 PolarHBondContact N-O 3.01Å; M109-W121 PolarHBondContact O-N 2.69Å |
| 110 | R | 94.9 | Very high | 94 | Very high | 54 Ų | 54 | 57 Ų | 57 | 20% | 0.204 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.6 | 172.4 | -69.1 | -179.7 | 175.7 | 155.1 | 0.7 | 110 | L56 T57 F59 I108 E118 Q119 E120 | L56-R110 CarbonylContact C-O 3.6Å; L56-R110 WeakPolarHBondContact CA-O 3.43Å; T57-R110 PolarHBondContact N-O 3.15Å; T57-R110 PolarHBondContact O-N 2.91Å; F59-R110 HydrophobicContact CD2-CG 4.43Å; F59-R110 HydrophobicContact CE2-CB 4.12Å; F59-R110 HydrophobicContact CE2-CG 4.04Å; I108-R110 HydrophobicContact CG2-CG 4.15Å; R110-E118 HydrophobicContact CB-CG 4.27Å; R110-E118 WeakPolarHBondContact CD-OE1 3.46Å; R110-E118 IonicContact NE-OE1 3.31Å; R110-Q119 WeakPolarHBondContact CA-O 3.39Å; R110-E120 HydrophobicContact CG-CG 4.16Å; R110-E120 IonicContact CZ-OE2 3Å; R110-E120 VanDerWaalsContact CZ-OE2 3.31Å; R110-E120 IonicContact NE-OE2 3.21Å; R110-E120 PolarHBondContact NE-OE2 2.96Å; R110-E120 IonicContact NH2-OE2 2.69Å; R110-E120 PolarHBondContact NH2-OE2 3Å |
| 111 | V | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 117.9 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 109 | L49 P50 Y53 Q55 L56 M109 E118 Q119 W121 | L49-V111 HydrophobicContact CD2-CG2 4.13Å; P50-V111 HydrophobicContact CG-CB 4.47Å; P50-V111 HydrophobicContact CG-CG1 4.02Å; Y53-V111 HydrophobicContact CD2-CG1 4.06Å; Y53-V111 HydrophobicContact CG-CG1 3.83Å; Q55-V111 CarbonylContact O-C 3.58Å; Q55-V111 WeakPolarHBondContact O-CA 3.43Å; L56-V111 HydrophobicContact CB-CG2 4.28Å; L56-V111 HydrophobicContact CD1-CG2 4.06Å; L56-V111 HydrophobicContact CG-CG2 4.01Å; M109-V111 HydrophobicContact CE-CG2 4.12Å; M109-V111 HydrophobicContact CG-CG2 4.43Å; V111-E118 WeakPolarHBondContact O-CA 2.77Å; V111-Q119 PolarHBondContact N-O 3.44Å; V111-Q119 PolarHBondContact O-N 3.37Å; V111-W121 HydrophobicContact CB-CH2 4.37Å; V111-W121 HydrophobicContact CB-CZ3 3.87Å; V111-W121 HydrophobicContact CG2-CH2 4.25Å; V111-W121 HydrophobicContact CG2-CZ3 3.6Å |
| 112 | L | 94.6 | Very high | 94 | Very high | 46 Ų | 46 | 53.3 Ų | 53.3 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 117.8 | 175.2 | 179.3 | 64.2 | 0 | 0 | 0 | 109.5 | K54 Q55 G116 | K54-L112 PolarHBondContact N-O 2.63Å; Q55-L112 HydrophobicContact CB-CB 4.23Å; Q55-L112 PolarHBondContact N-O 3.27Å; Q55-L112 PolarHBondContact O-N 3.44Å; L112-G116 WeakPolarHBondContact CD1-O 3.4Å |
| 113 | K | 92.9 | Very high | 94.1 | Very high | 63 Ų | 63 | 47.1 Ų | 47.1 | 27% | 0.274 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 155.1 | 175.1 | -58.9 | -175.4 | -168.1 | -173.4 | 0 | 110.4 | P50 T115 G116 N117 | P50-K113 HydrophobicContact CB-CD 4.29Å; P50-K113 HydrophobicContact CB-CG 4.35Å; K113-T115 PolarHBondContact O-N 2.85Å; K113-T115 VanDerWaalsContact O-N 3.13Å; K113-G116 PolarHBondContact O-N 2.92Å; K113-N117 WeakPolarHBondContact CB-O 3.41Å; K113-N117 PolarHBondContact N-O 3.47Å |
| 114 | K | 90.9 | Very high | 94.2 | Very high | 149 Ų | 149 | 51.6 Ų | 51.6 | 65% | 0.648 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -24.2 | 173.5 | -78.3 | 174.8 | -172.2 | 175.5 | 0 | 113.6 | N52 K54 G116 | N52-K114 HydrophobicContact CB-CD 4.32Å; N52-K114 WeakPolarHBondContact O-CG 3.33Å; N52-K114 PolarHBondContact O-N 3.31Å; K54-K114 HydrophobicContact CB-CG 4.28Å; K114-G116 PolarHBondContact O-N 3.17Å |
| 115 | T | 91.3 | Very high | 94.2 | Very high | 109 Ų | 109 | 48.9 Ų | 48.9 | 67% | 0.669 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -7.5 | 175.5 | 61 | 0 | 0 | 0 | 0 | 113.7 | K113 | K113-T115 PolarHBondContact O-N 2.85Å; K113-T115 VanDerWaalsContact O-N 3.13Å |
| 116 | G | 90.4 | Very high | 94.2 | Very high | 53 Ų | 53 | 52 Ų | 52 | 55% | 0.546 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 92.4 | -8.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L112 K113 K114 | L112-G116 WeakPolarHBondContact CD1-O 3.4Å; K113-G116 PolarHBondContact O-N 2.92Å; K114-G116 PolarHBondContact O-N 3.17Å |
| 117 | N | 91.8 | Very high | 94.2 | Very high | 105 Ų | 105 | 49.9 Ų | 49.9 | 56% | 0.561 | 25% | 0.251 | S | S | * | . | trans | -75.3 | 136.2 | 177.7 | -64.7 | -15.4 | 0 | 0 | 0 | 111 | K113 | K113-N117 WeakPolarHBondContact CB-O 3.41Å; K113-N117 PolarHBondContact N-O 3.47Å | ||
| 118 | E | 92 | Very high | 94.1 | Very high | 109 Ų | 109 | 50.7 Ų | 50.7 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 141.3 | 173.5 | -170.5 | 173.4 | 90.8 | 0 | 0 | 110.7 | R110 V111 | R110-E118 HydrophobicContact CB-CG 4.27Å; R110-E118 WeakPolarHBondContact CD-OE1 3.46Å; R110-E118 IonicContact NE-OE1 3.31Å; V111-E118 WeakPolarHBondContact O-CA 2.77Å |
| 119 | Q | 92 | Very high | 93.9 | Very high | 58 Ų | 58 | 54 Ų | 54 | 27% | 0.271 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.2 | 171.2 | -168 | 167 | -11.8 | 0 | 0 | 109.6 | R110 V111 W121 | R110-Q119 WeakPolarHBondContact CA-O 3.39Å; V111-Q119 PolarHBondContact N-O 3.44Å; V111-Q119 PolarHBondContact O-N 3.37Å; Q119-W121 HydrophobicContact CB-CH2 3.76Å; Q119-W121 HydrophobicContact CB-CZ2 4.5Å; Q119-W121 HydrophobicContact CB-CZ3 3.88Å; Q119-W121 VanDerWaalsContact CD-CH2 3.46Å; Q119-W121 VanDerWaalsContact CD-CZ2 3.43Å; Q119-W121 HydrophobicContact CG-CE3 4.41Å; Q119-W121 HydrophobicContact CG-CH2 3.42Å; Q119-W121 VanDerWaalsContact CG-CH2 3.42Å; Q119-W121 HydrophobicContact CG-CZ2 3.67Å; Q119-W121 HydrophobicContact CG-CZ3 3.81Å; Q119-W121 WeakPolarHBondContact O-CZ3 3.29Å |
| 120 | E | 92.9 | Very high | 93.7 | Very high | 57 Ų | 57 | 57.2 Ų | 57.2 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.4 | -172 | -171.7 | 176.8 | 84.1 | 0 | 0 | 111.1 | I108 M109 R110 K122 | I108-E120 HydrophobicContact CG2-CG 3.38Å; I108-E120 WeakPolarHBondContact CG2-OE2 3.28Å; M109-E120 CarbonylContact O-C 3.59Å; M109-E120 WeakPolarHBondContact O-CA 3.49Å; R110-E120 HydrophobicContact CG-CG 4.16Å; R110-E120 IonicContact CZ-OE2 3Å; R110-E120 VanDerWaalsContact CZ-OE2 3.31Å; R110-E120 IonicContact NE-OE2 3.21Å; R110-E120 PolarHBondContact NE-OE2 2.96Å; R110-E120 IonicContact NH2-OE2 2.69Å; R110-E120 PolarHBondContact NH2-OE2 3Å; E120-K122 WeakPolarHBondContact OE1-CE 3.49Å; E120-K122 IonicContact OE1-NZ 2.82Å; E120-K122 PolarHBondContact OE1-NZ 2.89Å |
| 121 | W | 94.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 55 Ų | 55 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.7 | 170.5 | -61.9 | -99.4 | 0 | 0 | 0 | 109.9 | I45 E47 P50 I108 M109 V111 Q119 | I45-W121 HydrophobicContact CB-CG 4.35Å; I45-W121 HydrophobicContact CD1-CD2 4.46Å; I45-W121 HydrophobicContact CD1-CZ2 4.05Å; I45-W121 HydrophobicContact CG2-CB 3.57Å; I45-W121 HydrophobicContact CG2-CD2 3.84Å; I45-W121 HydrophobicContact CG2-CG 3.39Å; E47-W121 PolarHBondContact OE1-NE1 2.81Å; P50-W121 HydrophobicContact CG-CH2 3.76Å; I108-W121 WeakPolarHBondContact CA-O 3.23Å; M109-W121 HydrophobicContact CE-CD2 3.82Å; M109-W121 HydrophobicContact CE-CE3 3.32Å; M109-W121 HydrophobicContact CE-CG 4.43Å; M109-W121 HydrophobicContact CE-CH2 4.35Å; M109-W121 HydrophobicContact CE-CZ3 3.65Å; M109-W121 PolarHBondContact N-O 3.01Å; M109-W121 PolarHBondContact O-N 2.69Å; V111-W121 HydrophobicContact CB-CH2 4.37Å; V111-W121 HydrophobicContact CB-CZ3 3.87Å; V111-W121 HydrophobicContact CG2-CH2 4.25Å; V111-W121 HydrophobicContact CG2-CZ3 3.6Å; Q119-W121 HydrophobicContact CB-CH2 3.76Å; Q119-W121 HydrophobicContact CB-CZ2 4.5Å; Q119-W121 HydrophobicContact CB-CZ3 3.88Å; Q119-W121 VanDerWaalsContact CD-CH2 3.46Å; Q119-W121 VanDerWaalsContact CD-CZ2 3.43Å; Q119-W121 HydrophobicContact CG-CE3 4.41Å; Q119-W121 HydrophobicContact CG-CH2 3.42Å; Q119-W121 VanDerWaalsContact CG-CH2 3.42Å; Q119-W121 HydrophobicContact CG-CZ2 3.67Å; Q119-W121 HydrophobicContact CG-CZ3 3.81Å; Q119-W121 WeakPolarHBondContact O-CZ3 3.29Å |
| 122 | K | 95.4 | Very high | 93.6 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 22% | 0.222 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.4 | -177.3 | -65.4 | 180 | 178.3 | 155.6 | 0 | 110.6 | H29 L30 V31 T106 Y107 I108 E120 | H29-K122 PolarHBondContact O-N 2.9Å; H29-K122 VanDerWaalsContact O-O 3.09Å; L30-K122 WeakPolarHBondContact CA-O 2.94Å; L30-K122 HydrophobicContact CD1-CB 3.57Å; V31-K122 PolarHBondContact N-O 2.77Å; T106-K122 HydrophobicContact CG2-CB 3.97Å; T106-K122 HydrophobicContact CG2-CD 4.47Å; T106-K122 HydrophobicContact CG2-CG 4.34Å; Y107-K122 WeakPolarHBondContact O-CA 3.3Å; I108-K122 HydrophobicContact CG1-CG 4.37Å; E120-K122 WeakPolarHBondContact OE1-CE 3.49Å; E120-K122 IonicContact OE1-NZ 2.82Å; E120-K122 PolarHBondContact OE1-NZ 2.89Å |
| 123 | I | 96.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 111.8 | 175 | -54 | -178.4 | 0 | 0 | 0 | 108.3 | V31 M33 L43 N44 W58 T106 Y107 L125 | V31-I123 HydrophobicContact CB-CG1 4.32Å; V31-I123 HydrophobicContact CB-CG2 4.5Å; V31-I123 CarbonylContact O-C 3.56Å; V31-I123 WeakPolarHBondContact O-CA 3.16Å; M33-I123 HydrophobicContact CB-CG2 4.35Å; L43-I123 HydrophobicContact CB-CD1 4.03Å; L43-I123 HydrophobicContact CD2-CG2 4.19Å; N44-I123 VanDerWaalsContact O-CD1 3.23Å; N44-I123 WeakPolarHBondContact O-CD1 3.3Å; W58-I123 HydrophobicContact CH2-CD1 3.89Å; T106-I123 CarbonylContact C-O 3.54Å; T106-I123 WeakPolarHBondContact CA-O 3.39Å; Y107-I123 PolarHBondContact N-O 3Å; Y107-I123 PolarHBondContact O-N 2.87Å; I123-L125 PolarHBondContact O-N 2.94Å |
| 124 | K | 96.4 | Very high | 93.6 | Very high | 96 Ų | 96 | 60 Ų | 60 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 106.7 | 171.3 | -170.7 | 177.4 | -174.8 | 179.3 | 0 | 108.8 | L30 V31 M33 | L30-K124 HydrophobicContact CD1-CB 4.13Å; V31-K124 PolarHBondContact O-N 3.3Å; M33-K124 PolarHBondContact N-O 3.08Å |
| 125 | L | 96.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.1 | 176 | -175 | 66.4 | 0 | 0 | 0 | 109.7 | M33 V35 V41 L43 N104 S105 Y107 I123 V127 | M33-L125 HydrophobicContact CB-CD1 4.28Å; M33-L125 HydrophobicContact CG-CD1 4.12Å; M33-L125 HydrophobicContact SD-CD1 4.12Å; V35-L125 HydrophobicContact CG1-CD1 4.23Å; V35-L125 HydrophobicContact CG2-CD1 3.75Å; V35-L125 HydrophobicContact CG2-CG 4.48Å; V41-L125 HydrophobicContact CG1-CD2 4.43Å; V41-L125 HydrophobicContact CG2-CD1 4.26Å; L43-L125 HydrophobicContact CD2-CD1 4.28Å; N104-L125 WeakPolarHBondContact CA-O 3.35Å; S105-L125 PolarHBondContact N-O 3.01Å; S105-L125 PolarHBondContact O-N 2.89Å; Y107-L125 HydrophobicContact CD2-CB 3.86Å; Y107-L125 HydrophobicContact CD2-CD2 4.42Å; Y107-L125 HydrophobicContact CE2-CB 3.69Å; Y107-L125 HydrophobicContact CE2-CD2 3.68Å; Y107-L125 HydrophobicContact CE2-CG 4.33Å; I123-L125 PolarHBondContact O-N 2.94Å; L125-V127 HydrophobicContact CD2-CG2 4Å; L125-V127 HydrophobicContact CG-CG2 3.97Å |
| 126 | Q | 96.3 | Very high | 94 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 41% | 0.407 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 108.1 | 170.9 | -175.2 | 173.7 | -1.4 | 0 | 0 | 109.3 | M33 T34 V35 L128 | M33-Q126 PolarHBondContact O-N 2.7Å; T34-Q126 CarbonylContact C-O 3.53Å; T34-Q126 WeakPolarHBondContact CA-O 3.36Å; V35-Q126 PolarHBondContact N-O 2.9Å; Q126-L128 HydrophobicContact CG-CD2 4.15Å; Q126-L128 HydrophobicContact CG-CG 4.25Å |
| 127 | V | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.5 | 173.8 | -169.9 | 0 | 0 | 0 | 0 | 108.1 | V35 V99 Q100 N104 L125 | V35-V127 HydrophobicContact CG2-CB 4.31Å; V35-V127 HydrophobicContact CG2-CG1 4.33Å; V35-V127 HydrophobicContact CG2-CG2 3.82Å; V35-V127 WeakPolarHBondContact O-CA 3.09Å; V99-V127 HydrophobicContact CB-CG1 4.42Å; V99-V127 HydrophobicContact CB-CG2 4.1Å; V99-V127 HydrophobicContact CG2-CG1 3.92Å; V99-V127 HydrophobicContact CG2-CG2 4.12Å; Q100-V127 WeakPolarHBondContact O-CB 3.16Å; N104-V127 PolarHBondContact ND2-O 2.73Å; N104-V127 VanDerWaalsContact OD1-CA 3.3Å; N104-V127 WeakPolarHBondContact OD1-CA 3.22Å; N104-V127 WeakPolarHBondContact OD1-CB 3.2Å; N104-V127 WeakPolarHBondContact OD1-CG2 3.23Å; N104-V127 PolarHBondContact OD1-N 2.8Å; N104-V127 PolarHBondContact OD1-O 2.71Å; L125-V127 HydrophobicContact CD2-CG2 4Å; L125-V127 HydrophobicContact CG-CG2 3.97Å |
| 128 | L | 93.9 | Very high | 94 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.3 | 177.5 | -65.8 | -178.2 | 0 | 0 | 0 | 110.1 | T34 V35 V36 S37 Q126 S201 V202 | T34-L128 HydrophobicContact CG2-CD1 3.86Å; T34-L128 HydrophobicContact CG2-CG 4.17Å; V35-L128 PolarHBondContact O-N 2.86Å; V36-L128 WeakPolarHBondContact CA-O 3.35Å; S37-L128 PolarHBondContact N-O 2.76Å; Q126-L128 HydrophobicContact CG-CD2 4.15Å; Q126-L128 HydrophobicContact CG-CG 4.25Å; L128-S201 WeakPolarHBondContact CD1-OG 3.16Å; L128-V202 HydrophobicContact CB-CG1 4.12Å; L128-V202 HydrophobicContact CB-CG2 3.6Å; L128-V202 HydrophobicContact CD1-CG1 4.17Å; L128-V202 HydrophobicContact CD1-CG2 4.35Å |
| 129 | D | 92.9 | Very high | 94 | Very high | 69 Ų | 69 | 54 Ų | 54 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 145.8 | 168.5 | -63.1 | -45.7 | 0 | 0 | 0 | 110.1 | S37 K101 N200 | S37-D129 WeakPolarHBondContact CB-OD1 3.36Å; S37-D129 PolarHBondContact OG-OD1 2.97Å; K101-D129 WeakPolarHBondContact CD-OD2 3.41Å; D129-N200 PolarHBondContact O-ND2 2.04Å |
| 130 | P | 92.5 | Very high | 93.6 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 140.3 | 167.7 | -23.3 | 33 | 0 | 0 | 0 | 111.2 | V36 S203 | V36-P130 HydrophobicContact CG1-CG 3.74Å; P130-S203 VanDerWaalsContact CA-OG 3.3Å; P130-S203 WeakPolarHBondContact CA-OG 3.3Å |
| 131 | V | 93.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 136.5 | 176.9 | -61.5 | 0 | 0 | 0 | 0 | 110 | V161 V198 N200 S203 K205 | V131-V161 HydrophobicContact CG1-CG1 3.96Å; V131-V198 HydrophobicContact CB-CG2 4.33Å; V131-V198 HydrophobicContact CG2-CG2 4.13Å; V131-N200 HydrophobicContact CG1-CB 3.93Å; V131-S203 PolarHBondContact N-OG 3Å; V131-K205 HydrophobicContact CG2-CB 3.95Å; V131-K205 HydrophobicContact CG2-CG 3.81Å; V131-K205 WeakPolarHBondContact O-CG 3.16Å |
| 132 | P | 93.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 58.2 Ų | 58.2 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 163 | 174.7 | 30.4 | -35.7 | 0 | 0 | 0 | 110.4 | P134 I156 P157 | P132-P134 WeakPolarHBondContact O-CD 3.49Å; P132-I156 HydrophobicContact CG-CB 4.03Å; P132-I156 HydrophobicContact CG-CG2 4.23Å; P132-P157 HydrophobicContact CB-CG 4.13Å; P132-P157 HydrophobicContact CG-CG 3.87Å |
| 133 | K | 93.1 | Very high | 91.7 | Very high | 160 Ų | 160 | 60.9 Ų | 60.9 | 70% | 0.696 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 124.5 | 174.6 | -171.4 | 173.9 | -176.8 | 175.9 | 0 | 109.5 | ||
| 134 | P | 95.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.032 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 148.1 | 180 | 30.6 | -35.4 | 0 | 0 | 0 | 111.5 | P132 C154 I156 V198 | P132-P134 WeakPolarHBondContact O-CD 3.49Å; P134-C154 VanDerWaalsContact CB-SG 3.55Å; P134-I156 HydrophobicContact CB-CG2 3.71Å; P134-V198 HydrophobicContact CB-CG1 3.93Å; P134-V198 HydrophobicContact CB-CG2 3.96Å; P134-V198 HydrophobicContact CG-CG1 4.32Å; P134-V198 HydrophobicContact CG-CG2 3.78Å |
| 135 | V | 94.3 | Very high | 89.2 | Confident | 90 Ų | 90 | 68 Ų | 68 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120.7 | 173 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | V155 | V135-V155 PolarHBondContact N-O 2.82Å; V135-V155 PolarHBondContact O-N 2.87Å |
| 136 | I | 94.8 | Very high | 88 | Confident | 27 Ų | 27 | 74 Ų | 74 | 14% | 0.138 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 118.9 | 174.3 | -60.2 | 169 | 0 | 0 | 0 | 108.3 | L152 S153 W165 C196 G207 V209 | I136-L152 HydrophobicContact CG2-CB 4.15Å; I136-L152 HydrophobicContact CG2-CD2 4.42Å; I136-S153 CarbonylContact C-O 3.52Å; I136-S153 WeakPolarHBondContact CA-O 3.1Å; I136-W165 HydrophobicContact CD1-CH2 4.26Å; I136-W165 HydrophobicContact CD1-CZ3 3.87Å; I136-W165 HydrophobicContact CG1-CH2 4.1Å; I136-W165 HydrophobicContact CG1-CZ3 4.23Å; I136-W165 HydrophobicContact CG2-CH2 4.03Å; I136-W165 HydrophobicContact CG2-CZ3 4.37Å; I136-C196 HydrophobicContact CD1-CB 3.9Å; I136-C196 HydrophobicContact CG1-CB 3.94Å; I136-G207 WeakPolarHBondContact CD1-O 3.13Å; I136-V209 HydrophobicContact CB-CG1 4.3Å; I136-V209 HydrophobicContact CD1-CG1 4.17Å; I136-V209 HydrophobicContact CG2-CB 4.43Å; I136-V209 HydrophobicContact CG2-CG1 3.74Å |
| 137 | K | 93.5 | Very high | 87 | Confident | 123 Ų | 123 | 72.4 Ų | 72.4 | 54% | 0.535 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 139.7 | 168.6 | -64.8 | -172.5 | -177.6 | 179 | 0 | 109.1 | L152 S153 V155 | K137-L152 WeakPolarHBondContact O-CA 3.4Å; K137-S153 PolarHBondContact N-O 2.91Å; K137-S153 PolarHBondContact O-N 2.8Å; K137-V155 HydrophobicContact CD-CG2 3.92Å; K137-V155 HydrophobicContact CG-CG2 4.08Å |
| 138 | I | 90.3 | Very high | 86.2 | Confident | 55 Ų | 55 | 72.6 Ų | 72.6 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113 | 170.9 | -56.7 | -174 | 0 | 0 | 0 | 106.5 | I141 L152 V209 L211 L217 | I138-I141 HydrophobicContact CD1-CD1 4.2Å; I138-I141 HydrophobicContact CG2-CD1 3.68Å; I138-I141 HydrophobicContact CG2-CG1 3.36Å; I138-L152 HydrophobicContact CB-CD2 4.25Å; I138-L152 HydrophobicContact CG1-CD2 3.78Å; I138-L152 HydrophobicContact CG2-CD2 4.25Å; I138-V209 HydrophobicContact CD1-CG2 4.22Å; I138-L211 HydrophobicContact CD1-CD2 3.97Å; I138-L217 HydrophobicContact CD1-CD1 3.26Å; I138-L217 HydrophobicContact CG1-CD1 4.5Å |
| 139 | E | 90.5 | Very high | 85.9 | Confident | 102 Ų | 102 | 73.9 Ų | 73.9 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -38.5 | 177.9 | -61.6 | -163.6 | 164 | 0 | 0 | 111.7 | K151 S153 | E139-K151 HydrophobicContact CB-CB 4.26Å; E139-K151 HydrophobicContact CB-CD 4.26Å; E139-K151 HydrophobicContact CB-CG 4.06Å; E139-K151 PolarHBondContact N-O 2.85Å; E139-K151 WeakPolarHBondContact OE2-CD 3.49Å; E139-K151 WeakPolarHBondContact OE2-CE 3.47Å; E139-K151 IonicContact OE2-NZ 2.81Å; E139-K151 PolarHBondContact OE2-NZ 2.81Å; E139-S153 WeakPolarHBondContact CG-OG 3.14Å; E139-S153 WeakPolarHBondContact OE1-CB 3.39Å; E139-S153 PolarHBondContact OE1-OG 2.78Å |
| 140 | K | 84.6 | Confident | 85.7 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 37% | 0.37 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 137 | -177.4 | -145.1 | -169 | -158.3 | -161.3 | 0 | 110.9 | E142 Y149 L150 K151 | K140-E142 HydrophobicContact CD-CG 4.12Å; K140-E142 WeakPolarHBondContact CE-OE1 3.36Å; K140-E142 VanDerWaalsContact CE-OE2 3.3Å; K140-E142 WeakPolarHBondContact CE-OE2 2.94Å; K140-E142 HydrophobicContact CG-CG 4.22Å; K140-E142 IonicContact NZ-OE1 2.66Å; K140-E142 PolarHBondContact NZ-OE1 3.06Å; K140-E142 IonicContact NZ-OE2 3.62Å; K140-E142 PolarHBondContact NZ-OE2 3.14Å; K140-Y149 HydrophobicContact CB-CE1 4.37Å; K140-Y149 HydrophobicContact CD-CD1 3.92Å; K140-Y149 HydrophobicContact CD-CE1 3.65Å; K140-L150 WeakPolarHBondContact O-CA 3.39Å; K140-K151 HydrophobicContact CB-CB 3.72Å; K140-K151 PolarHBondContact N-O 2.94Å; K140-K151 PolarHBondContact O-N 2.88Å |
| 141 | I | 84.4 | Confident | 85.7 | Confident | 59 Ų | 59 | 70.1 Ų | 70.1 | 30% | 0.303 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 120.1 | 163.5 | -54.6 | -173.1 | 0 | 0 | 0 | 105.9 | I138 Y149 L150 L211 C215 | I138-I141 HydrophobicContact CD1-CD1 4.2Å; I138-I141 HydrophobicContact CG2-CD1 3.68Å; I138-I141 HydrophobicContact CG2-CG1 3.36Å; I141-Y149 WeakPolarHBondContact CA-O 3.02Å; I141-L150 HydrophobicContact CB-CD2 4.2Å; I141-L150 HydrophobicContact CD1-CD2 4.29Å; I141-L150 HydrophobicContact CG1-CD2 3.76Å; I141-L150 HydrophobicContact CG2-CD2 3.95Å; I141-L211 HydrophobicContact CD1-CD2 4.11Å; I141-C215 HydrophobicContact CG2-CB 3.63Å |
| 142 | E | 82.2 | Confident | 85.7 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 131.7 | 174.4 | -74.5 | 178.5 | 158.4 | 0 | 0 | 109.9 | K140 M144 C148 Y149 | K140-E142 HydrophobicContact CD-CG 4.12Å; K140-E142 WeakPolarHBondContact CE-OE1 3.36Å; K140-E142 VanDerWaalsContact CE-OE2 3.3Å; K140-E142 WeakPolarHBondContact CE-OE2 2.94Å; K140-E142 HydrophobicContact CG-CG 4.22Å; K140-E142 IonicContact NZ-OE1 2.66Å; K140-E142 PolarHBondContact NZ-OE1 3.06Å; K140-E142 IonicContact NZ-OE2 3.62Å; K140-E142 PolarHBondContact NZ-OE2 3.14Å; E142-M144 HydrophobicContact CB-CE 4.1Å; E142-M144 HydrophobicContact CB-CG 4.44Å; E142-M144 WeakPolarHBondContact OE2-CE 3.38Å; E142-C148 CarbonylContact O-C 3.54Å; E142-C148 WeakPolarHBondContact O-CA 3.49Å; E142-Y149 PolarHBondContact N-O 3.22Å; E142-Y149 PolarHBondContact O-N 3.3Å |
| 143 | D | 75 | Confident | 85.8 | Confident | 106 Ų | 106 | 67.8 Ų | 67.8 | 57% | 0.567 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 118.4 | 170.8 | -162 | -19.3 | 0 | 0 | 0 | 107.9 | ||
| 144 | M | 72.7 | Confident | 85.9 | Confident | 96 Ų | 96 | 60.4 Ų | 60.4 | 47% | 0.473 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 94.3 | -176.6 | -67.5 | -172.5 | -178.8 | 0 | 0 | 108.8 | E142 D146 N147 | E142-M144 HydrophobicContact CB-CE 4.1Å; E142-M144 HydrophobicContact CB-CG 4.44Å; E142-M144 WeakPolarHBondContact OE2-CE 3.38Å; M144-D146 PolarHBondContact O-N 3.31Å; M144-N147 PolarHBondContact N-O 2.89Å; M144-N147 WeakPolarHBondContact O-CA 3.38Å; M144-N147 WeakPolarHBondContact O-CB 3.43Å; M144-N147 PolarHBondContact O-N 2.86Å |
| 145 | D | 68.5 | Low | 85.8 | Confident | 153 Ų | 153 | 62.9 Ų | 62.9 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 63.4 | 173 | -58.6 | -37.1 | 0 | 0 | 0 | 112.4 | N147 | D145-N147 PolarHBondContact O-N 3.28Å; D145-N147 VanDerWaalsContact O-N 3.13Å; D145-N147 PolarHBondContact O-ND2 2.94Å |
| 146 | D | 70.2 | Confident | 85.7 | Confident | 129 Ų | 129 | 59.6 Ų | 59.6 | 69% | 0.69 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | -6.7 | -173.5 | -53 | -51.6 | 0 | 0 | 0 | 115.8 | M144 P187 | M144-D146 PolarHBondContact O-N 3.31Å; D146-P187 HydrophobicContact CB-CB 4.11Å; D146-P187 HydrophobicContact CB-CG 3.66Å; D146-P187 WeakPolarHBondContact O-CB 3.41Å; D146-P187 WeakPolarHBondContact O-CD 3.3Å; D146-P187 WeakPolarHBondContact O-CG 2.87Å |
| 147 | N | 76.1 | Confident | 85.2 | Confident | 53 Ų | 53 | 63 Ų | 63 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 143.5 | 175.5 | -61.9 | -64.6 | 0 | 0 | 0 | 112.4 | M144 D145 T184 L185 P187 | M144-N147 PolarHBondContact N-O 2.89Å; M144-N147 WeakPolarHBondContact O-CA 3.38Å; M144-N147 WeakPolarHBondContact O-CB 3.43Å; M144-N147 PolarHBondContact O-N 2.86Å; D145-N147 PolarHBondContact O-N 3.28Å; D145-N147 VanDerWaalsContact O-N 3.13Å; D145-N147 PolarHBondContact O-ND2 2.94Å; N147-T184 HydrophobicContact CB-CG2 3.64Å; N147-L185 CarbonylContact C-O 3.56Å; N147-L185 VanDerWaalsContact CA-O 3.3Å; N147-L185 WeakPolarHBondContact CA-O 3.33Å; N147-P187 WeakPolarHBondContact OD1-CD 3.15Å |
| 148 | C | 79.1 | Confident | 84.2 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 107.4 | 175.2 | -148.8 | 0 | 0 | 0 | 0 | 110.7 | E142 T184 L185 C215 | E142-C148 CarbonylContact O-C 3.54Å; E142-C148 WeakPolarHBondContact O-CA 3.49Å; C148-T184 CarbonylContact O-C 3.48Å; C148-T184 VanDerWaalsContact O-CA 3.27Å; C148-T184 WeakPolarHBondContact O-CA 3.34Å; C148-L185 HydrophobicContact CB-CB 3.62Å; C148-L185 HydrophobicContact CB-CD1 3.82Å; C148-L185 HydrophobicContact CB-CG 4.08Å; C148-L185 PolarHBondContact N-O 3.41Å; C148-L185 PolarHBondContact O-N 2.82Å; C148-C215 HydrophobicContact CB-CB 4.31Å; C148-C215 WeakPolarHBondContact CB-SG 3.06Å; C148-C215 WeakPolarHBondContact SG-CB 3.42Å; C148-C215 CovalentContact SG-SG 2.01Å; C148-C215 PolarHBondContact SG-SG 3.16Å |
| 149 | Y | 86.9 | Confident | 83.1 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 128 | 166.5 | 175.7 | -95.1 | 0 | 0 | 0 | 109.9 | K140 I141 E142 K151 E182 | K140-Y149 HydrophobicContact CB-CE1 4.37Å; K140-Y149 HydrophobicContact CD-CD1 3.92Å; K140-Y149 HydrophobicContact CD-CE1 3.65Å; I141-Y149 WeakPolarHBondContact CA-O 3.02Å; E142-Y149 PolarHBondContact N-O 3.22Å; E142-Y149 PolarHBondContact O-N 3.3Å; Y149-K151 HydrophobicContact CE1-CB 4.22Å; Y149-E182 PolarHBondContact OH-OE2 2.89Å |
| 150 | L | 88.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133 | -178 | -63.6 | 171.1 | 0 | 0 | 0 | 110.9 | K140 I141 E182 T183 L185 Y194 L211 | K140-L150 WeakPolarHBondContact O-CA 3.39Å; I141-L150 HydrophobicContact CB-CD2 4.2Å; I141-L150 HydrophobicContact CD1-CD2 4.29Å; I141-L150 HydrophobicContact CG1-CD2 3.76Å; I141-L150 HydrophobicContact CG2-CD2 3.95Å; L150-E182 WeakPolarHBondContact O-CA 3.32Å; L150-T183 HydrophobicContact CB-CG2 4.36Å; L150-T183 PolarHBondContact N-O 2.91Å; L150-T183 PolarHBondContact O-N 2.92Å; L150-L185 HydrophobicContact CD1-CD1 3.56Å; L150-L185 HydrophobicContact CD1-CG 3.71Å; L150-L185 HydrophobicContact CG-CD1 4.47Å; L150-Y194 HydrophobicContact CD1-CE2 3.79Å; L150-Y194 WeakPolarHBondContact CD1-OH 3.44Å; L150-L211 HydrophobicContact CD1-CD1 3.3Å; L150-L211 HydrophobicContact CD2-CD1 3.49Å; L150-L211 VanDerWaalsContact CD2-CD1 3.49Å; L150-L211 HydrophobicContact CG-CD1 4.03Å |
| 151 | K | 92.4 | Very high | 82.9 | Confident | 58 Ų | 58 | 62 Ų | 62 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 112.5 | 167.6 | -171.9 | 174 | -171.4 | -136.9 | 0 | 109.5 | E139 K140 Y149 V180 E182 | E139-K151 HydrophobicContact CB-CB 4.26Å; E139-K151 HydrophobicContact CB-CD 4.26Å; E139-K151 HydrophobicContact CB-CG 4.06Å; E139-K151 PolarHBondContact N-O 2.85Å; E139-K151 WeakPolarHBondContact OE2-CD 3.49Å; E139-K151 WeakPolarHBondContact OE2-CE 3.47Å; E139-K151 IonicContact OE2-NZ 2.81Å; E139-K151 PolarHBondContact OE2-NZ 2.81Å; K140-K151 HydrophobicContact CB-CB 3.72Å; K140-K151 PolarHBondContact N-O 2.94Å; K140-K151 PolarHBondContact O-N 2.88Å; Y149-K151 HydrophobicContact CE1-CB 4.22Å; K151-V180 HydrophobicContact CG-CG1 3.97Å; K151-E182 HydrophobicContact CB-CG 4.31Å; K151-E182 HydrophobicContact CD-CG 4.24Å; K151-E182 WeakPolarHBondContact CE-OE1 3.43Å; K151-E182 HydrophobicContact CG-CG 3.83Å |
| 152 | L | 93.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.9 | -178 | -57.1 | -179 | 0 | 0 | 0 | 110.1 | I136 K137 I138 W165 V180 L181 Y194 V209 | I136-L152 HydrophobicContact CG2-CB 4.15Å; I136-L152 HydrophobicContact CG2-CD2 4.42Å; K137-L152 WeakPolarHBondContact O-CA 3.4Å; I138-L152 HydrophobicContact CB-CD2 4.25Å; I138-L152 HydrophobicContact CG1-CD2 3.78Å; I138-L152 HydrophobicContact CG2-CD2 4.25Å; L152-W165 HydrophobicContact CB-CH2 3.77Å; L152-W165 HydrophobicContact CB-CZ2 4.45Å; L152-W165 HydrophobicContact CB-CZ3 4.24Å; L152-W165 HydrophobicContact CD1-CZ3 4.18Å; L152-V180 CarbonylContact O-C 3.51Å; L152-V180 WeakPolarHBondContact O-CA 3.12Å; L152-L181 HydrophobicContact CB-CB 4.44Å; L152-L181 HydrophobicContact CD1-CD2 4.43Å; L152-L181 PolarHBondContact N-O 2.91Å; L152-L181 PolarHBondContact O-N 2.78Å; L152-Y194 HydrophobicContact CD1-CD1 3.98Å; L152-Y194 HydrophobicContact CD1-CD2 4.05Å; L152-Y194 HydrophobicContact CD1-CG 3.62Å; L152-V209 HydrophobicContact CD1-CG1 4.26Å |
| 153 | S | 95.1 | Very high | 84 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.1 | 176.7 | -76.1 | 0 | 0 | 0 | 0 | 111.1 | I136 K137 E139 | I136-S153 CarbonylContact C-O 3.52Å; I136-S153 WeakPolarHBondContact CA-O 3.1Å; K137-S153 PolarHBondContact N-O 2.91Å; K137-S153 PolarHBondContact O-N 2.8Å; E139-S153 WeakPolarHBondContact CG-OG 3.14Å; E139-S153 WeakPolarHBondContact OE1-CB 3.39Å; E139-S153 PolarHBondContact OE1-OG 2.78Å |
| 154 | C | 94.9 | Very high | 85 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.027 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 106.7 | 176.4 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | P134 Y163 W165 S179 C196 | P134-C154 VanDerWaalsContact CB-SG 3.55Å; C154-Y163 HydrophobicContact CB-CD1 4.11Å; C154-Y163 HydrophobicContact CB-CE1 4.11Å; C154-W165 HydrophobicContact CB-CH2 3.92Å; C154-W165 HydrophobicContact CB-CZ2 3.48Å; C154-W165 VanDerWaalsContact CB-CZ2 3.48Å; C154-S179 PolarHBondContact N-O 3.19Å; C154-C196 HydrophobicContact CB-CB 3.67Å; C154-C196 WeakPolarHBondContact CB-SG 2.9Å; C154-C196 WeakPolarHBondContact SG-CB 3.38Å; C154-C196 CovalentContact SG-SG 2.02Å; C154-C196 PolarHBondContact SG-SG 3.21Å |
| 155 | V | 93.6 | Very high | 86.1 | Confident | 58 Ų | 58 | 55.7 Ų | 55.7 | 35% | 0.352 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.2 | -172.7 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | V135 K137 | V135-V155 PolarHBondContact N-O 2.82Å; V135-V155 PolarHBondContact O-N 2.87Å; K137-V155 HydrophobicContact CD-CG2 3.92Å; K137-V155 HydrophobicContact CG-CG2 4.08Å |
| 156 | I | 92.1 | Very high | 87.4 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | trans | -131 | 148.7 | 167.5 | 54.2 | 152.4 | 0 | 0 | 0 | 110.4 | P132 P134 V161 V198 | P132-I156 HydrophobicContact CG-CB 4.03Å; P132-I156 HydrophobicContact CG-CG2 4.23Å; P134-I156 HydrophobicContact CB-CG2 3.71Å; I156-V161 HydrophobicContact CD1-CB 4.1Å; I156-V161 HydrophobicContact CD1-CG1 3.57Å; I156-V161 HydrophobicContact CD1-CG2 3.37Å; I156-V161 HydrophobicContact CG1-CG2 4.28Å; I156-V198 HydrophobicContact CG2-CB 4.45Å; I156-V198 HydrophobicContact CG2-CG1 4.02Å; I156-V198 HydrophobicContact CG2-CG2 4.03Å | ||
| 157 | P | 85.3 | Confident | 88.3 | Confident | 99 Ų | 99 | 45.1 Ų | 45.1 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -73.7 | 137.5 | 165.2 | 30 | -31.5 | 0 | 0 | 0 | 110.2 | P132 | P132-P157 HydrophobicContact CB-CG 4.13Å; P132-P157 HydrophobicContact CG-CG 3.87Å |
| 158 | G | 71.3 | Confident | 88.7 | Confident | 77 Ų | 77 | 45.6 Ų | 45.6 | 79% | 0.794 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 109.5 | -149.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 159 | E | 69.1 | Low | 88.9 | Confident | 125 Ų | 125 | 54.6 Ų | 54.6 | 58% | 0.584 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -75.1 | 176.1 | -165.5 | -74.4 | 175.7 | 167.4 | 0 | 0 | 115.6 | K101 V161 | K101-E159 WeakPolarHBondContact CE-OE1 3.4Å; K101-E159 IonicContact NZ-OE1 2.67Å; K101-E159 PolarHBondContact NZ-OE1 2.81Å; K101-E159 IonicContact NZ-OE2 2.72Å; K101-E159 PolarHBondContact NZ-OE2 2.96Å; E159-V161 PolarHBondContact O-N 2.02Å |
| 160 | S | 79.4 | Confident | 89 | Confident | 125 Ų | 125 | 62 Ų | 62 | 87% | 0.874 | 33% | 0.332 | S | S | * | . | trans | -58.4 | 117.2 | 170.9 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 161 | V | 90.6 | Very high | 89.3 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | trans | -120.4 | 163.8 | 173.6 | -61.9 | 0 | 0 | 0 | 0 | 110.2 | V131 I156 E159 Y163 V198 S199 | V131-V161 HydrophobicContact CG1-CG1 3.96Å; I156-V161 HydrophobicContact CD1-CB 4.1Å; I156-V161 HydrophobicContact CD1-CG1 3.57Å; I156-V161 HydrophobicContact CD1-CG2 3.37Å; I156-V161 HydrophobicContact CG1-CG2 4.28Å; E159-V161 PolarHBondContact O-N 2.02Å; V161-Y163 HydrophobicContact CG2-CD2 4.25Å; V161-Y163 HydrophobicContact CG2-CE1 4.15Å; V161-Y163 HydrophobicContact CG2-CE2 3.65Å; V161-Y163 WeakPolarHBondContact O-CD2 3.24Å; V161-Y163 WeakPolarHBondContact O-CE2 3.49Å; V161-V198 HydrophobicContact CG2-CB 4.03Å; V161-V198 HydrophobicContact CG2-CG1 4.14Å; V161-S199 WeakPolarHBondContact CB-O 3.41Å | ||
| 162 | N | 94.1 | Very high | 89.3 | Confident | 115 Ų | 115 | 64.9 Ų | 64.9 | 62% | 0.615 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 131.3 | 171 | -67.3 | -16.5 | 0 | 0 | 0 | 110 | V198 S199 | N162-V198 CarbonylContact O-C 3.55Å; N162-V198 WeakPolarHBondContact O-CA 3.42Å; N162-S199 PolarHBondContact N-O 3Å; N162-S199 PolarHBondContact O-N 2.81Å; N162-S199 PolarHBondContact O-OG 2.88Å |
| 163 | Y | 95.3 | Very high | 89.3 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 18% | 0.18 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 142 | 177.4 | -65.1 | -92.5 | 0 | 0 | 0 | 110.6 | C154 V161 N178 Q197 V198 | C154-Y163 HydrophobicContact CB-CD1 4.11Å; C154-Y163 HydrophobicContact CB-CE1 4.11Å; V161-Y163 HydrophobicContact CG2-CD2 4.25Å; V161-Y163 HydrophobicContact CG2-CE1 4.15Å; V161-Y163 HydrophobicContact CG2-CE2 3.65Å; V161-Y163 WeakPolarHBondContact O-CD2 3.24Å; V161-Y163 WeakPolarHBondContact O-CE2 3.49Å; Y163-N178 WeakPolarHBondContact CB-O 3.49Å; Y163-Q197 CarbonylContact C-O 3.6Å; Y163-Q197 WeakPolarHBondContact CA-O 2.92Å; Y163-V198 HydrophobicContact CD1-CG1 3.72Å; Y163-V198 HydrophobicContact CE1-CG1 3.64Å |
| 164 | T | 96.3 | Very high | 89.1 | Confident | 33 Ų | 33 | 76.5 Ų | 76.5 | 20% | 0.202 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 116.7 | 171.1 | -49.3 | 0 | 0 | 0 | 0 | 110.7 | Y166 Q197 | T164-Y166 HydrophobicContact CG2-CD2 4.39Å; T164-Y166 HydrophobicContact CG2-CE1 4.38Å; T164-Y166 HydrophobicContact CG2-CE2 3.58Å; T164-Y166 WeakPolarHBondContact CG2-OH 3.21Å; T164-Q197 PolarHBondContact N-O 2.66Å; T164-Q197 WeakPolarHBondContact O-CB 3.37Å; T164-Q197 PolarHBondContact O-N 2.67Å |
| 165 | W | 96.6 | Very high | 89 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 140.4 | 176.6 | -71.3 | 99.8 | 0 | 0 | 0 | 112 | I136 L152 C154 P171 F172 Q177 N178 L181 T195 C196 | I136-W165 HydrophobicContact CD1-CH2 4.26Å; I136-W165 HydrophobicContact CD1-CZ3 3.87Å; I136-W165 HydrophobicContact CG1-CH2 4.1Å; I136-W165 HydrophobicContact CG1-CZ3 4.23Å; I136-W165 HydrophobicContact CG2-CH2 4.03Å; I136-W165 HydrophobicContact CG2-CZ3 4.37Å; L152-W165 HydrophobicContact CB-CH2 3.77Å; L152-W165 HydrophobicContact CB-CZ2 4.45Å; L152-W165 HydrophobicContact CB-CZ3 4.24Å; L152-W165 HydrophobicContact CD1-CZ3 4.18Å; C154-W165 HydrophobicContact CB-CH2 3.92Å; C154-W165 HydrophobicContact CB-CZ2 3.48Å; C154-W165 VanDerWaalsContact CB-CZ2 3.48Å; W165-P171 WeakPolarHBondContact O-CA 3.2Å; W165-F172 HydrophobicContact CB-CB 4.36Å; W165-F172 HydrophobicContact CB-CD2 3.8Å; W165-F172 HydrophobicContact CB-CG 4.39Å; W165-F172 PolarHBondContact O-N 2.91Å; W165-Q177 PolarHBondContact O-NE2 3.19Å; W165-N178 PolarHBondContact NE1-O 3.1Å; W165-L181 HydrophobicContact CB-CD1 4.38Å; W165-L181 HydrophobicContact CB-CD2 4.14Å; W165-L181 HydrophobicContact CD2-CB 3.67Å; W165-L181 HydrophobicContact CD2-CD2 3.79Å; W165-L181 HydrophobicContact CD2-CG 4.26Å; W165-L181 HydrophobicContact CE3-CB 4.16Å; W165-L181 HydrophobicContact CE3-CD2 3.66Å; W165-L181 HydrophobicContact CG-CB 3.97Å; W165-L181 HydrophobicContact CG-CD1 4.32Å; W165-L181 HydrophobicContact CG-CD2 4.02Å; W165-L181 HydrophobicContact CG-CG 4.33Å; W165-L181 HydrophobicContact CH2-CB 4.3Å; W165-L181 HydrophobicContact CZ2-CB 3.84Å; W165-L181 HydrophobicContact CZ3-CB 4.44Å; W165-L181 HydrophobicContact CZ3-CD2 4.24Å; W165-T195 CarbonylContact C-O 3.57Å; W165-T195 WeakPolarHBondContact CA-O 2.82Å; W165-C196 HydrophobicContact CD2-CB 4.04Å; W165-C196 HydrophobicContact CE3-CB 3.78Å; W165-C196 HydrophobicContact CH2-CB 3.75Å; W165-C196 HydrophobicContact CZ2-CB 4Å; W165-C196 HydrophobicContact CZ3-CB 3.63Å |
| 166 | Y | 94.3 | Very high | 88.9 | Confident | 58 Ų | 58 | 83.9 Ų | 83.9 | 23% | 0.227 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.2 | 174.2 | -55 | -98.5 | 0 | 0 | 0 | 110.3 | T164 R170 P171 Y194 T195 Q197 | T164-Y166 HydrophobicContact CG2-CD2 4.39Å; T164-Y166 HydrophobicContact CG2-CE1 4.38Å; T164-Y166 HydrophobicContact CG2-CE2 3.58Å; T164-Y166 WeakPolarHBondContact CG2-OH 3.21Å; Y166-R170 CarbonylContact C-O 3.46Å; Y166-R170 WeakPolarHBondContact CA-O 3.24Å; Y166-P171 HydrophobicContact CD1-CB 4Å; Y166-P171 HydrophobicContact CE1-CB 3.95Å; Y166-Y194 WeakPolarHBondContact O-CA 3.19Å; Y166-T195 PolarHBondContact N-O 2.75Å; Y166-T195 PolarHBondContact O-N 2.81Å; Y166-Q197 HydrophobicContact CE2-CB 3.9Å |
| 167 | G | 90.3 | Very high | 89 | Confident | 2 Ų | 2 | 85 Ų | 85 | 2% | 0.021 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | K169 R170 F172 | G167-K169 PolarHBondContact O-N 3.48Å; G167-R170 PolarHBondContact N-O 3.47Å; G167-R170 PolarHBondContact O-N 2.84Å; G167-F172 VanDerWaalsContact N-CE2 3.33Å |
| 168 | D | 83.8 | Confident | 89.4 | Confident | 63 Ų | 63 | 85 Ų | 85 | 34% | 0.337 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 43.5 | -176.2 | -47.3 | -48.7 | 0 | 0 | 0 | 112.9 | R170 R192 C193 | D168-R170 PolarHBondContact O-N 2.53Å; D168-R192 WeakPolarHBondContact OD1-CG 3.4Å; D168-R192 WeakPolarHBondContact OD2-CG 3.36Å; D168-R192 IonicContact OD2-CZ 3.8Å; D168-R192 IonicContact OD2-NE 2.85Å; D168-R192 PolarHBondContact OD2-NE 2.8Å; D168-R192 IonicContact OD2-NH2 3.95Å; D168-C193 PolarHBondContact N-O 2.86Å; D168-C193 PolarHBondContact OD1-N 2.97Å |
| 169 | K | 82.6 | Confident | 90.4 | Very high | 192 Ų | 192 | 83.3 Ų | 83.3 | 84% | 0.835 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 2.1 | -177.2 | -48.5 | 176.4 | -179.9 | 177.1 | 0 | 115.7 | G167 | G167-K169 PolarHBondContact O-N 3.48Š|
| 170 | R | 90.1 | Very high | 91.7 | Very high | 199 Ų | 199 | 79.5 Ų | 79.5 | 75% | 0.751 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 133.5 | 173.8 | -61.8 | -173 | -179.1 | -168.1 | 1 | 110.8 | Y166 G167 D168 | Y166-R170 CarbonylContact C-O 3.46Å; Y166-R170 WeakPolarHBondContact CA-O 3.24Å; G167-R170 PolarHBondContact N-O 3.47Å; G167-R170 PolarHBondContact O-N 2.84Å; D168-R170 PolarHBondContact O-N 2.53Å |
| 171 | P | 93.6 | Very high | 92.4 | Very high | 91 Ų | 91 | 73.6 Ų | 73.6 | 59% | 0.591 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 144 | -179.6 | 28.6 | -33.9 | 0 | 0 | 0 | 111.1 | W165 Y166 | W165-P171 WeakPolarHBondContact O-CA 3.2Å; Y166-P171 HydrophobicContact CD1-CB 4Å; Y166-P171 HydrophobicContact CE1-CB 3.95Å |
| 172 | F | 93.2 | Very high | 92.5 | Very high | 28 Ų | 28 | 77.2 Ų | 77.2 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 161.4 | 168.9 | -82 | -89.3 | 0 | 0 | 0 | 111.9 | W165 G167 L176 Q177 L181 T183 Y194 | W165-F172 HydrophobicContact CB-CB 4.36Å; W165-F172 HydrophobicContact CB-CD2 3.8Å; W165-F172 HydrophobicContact CB-CG 4.39Å; W165-F172 PolarHBondContact O-N 2.91Å; G167-F172 VanDerWaalsContact N-CE2 3.33Å; F172-L176 HydrophobicContact CB-CB 4.35Å; F172-L176 HydrophobicContact CD1-CD1 3.97Å; F172-Q177 PolarHBondContact O-NE2 2.98Å; F172-L181 HydrophobicContact CD1-CD1 4.07Å; F172-L181 HydrophobicContact CD2-CD1 4.33Å; F172-L181 HydrophobicContact CD2-CD2 4.23Å; F172-L181 HydrophobicContact CE1-CD1 4.29Å; F172-L181 HydrophobicContact CE2-CD2 3.85Å; F172-L181 HydrophobicContact CG-CD1 4.1Å; F172-L181 HydrophobicContact CZ-CD2 4.1Å; F172-T183 HydrophobicContact CZ-CG2 4.49Å; F172-Y194 HydrophobicContact CE2-CD1 4.12Å; F172-Y194 HydrophobicContact CE2-CE1 4.21Å; F172-Y194 HydrophobicContact CZ-CD1 4.2Å; F172-Y194 AromaticContact CZ-CE1 3.83Å; F172-Y194 HydrophobicContact CZ-CE1 3.83Å |
| 173 | P | 93.8 | Very high | 92.2 | Very high | 72 Ų | 72 | 72.8 Ų | 72.8 | 47% | 0.468 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 151.3 | 170.3 | -25.3 | 34.1 | 0 | 0 | 0 | 112.7 | E175 L176 Q177 | P173-E175 WeakPolarHBondContact CB-OE2 3.47Å; P173-E175 PolarHBondContact O-N 2.86Å; P173-L176 PolarHBondContact O-N 2.72Å; P173-L176 VanDerWaalsContact O-N 3.07Å; P173-Q177 WeakPolarHBondContact O-CG 3.39Å |
| 174 | K | 91.6 | Very high | 91.7 | Very high | 182 Ų | 182 | 74.2 Ų | 74.2 | 79% | 0.791 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -60.7 | -29.9 | -173.2 | -74.2 | -175.1 | 178.8 | 179.3 | 0 | 112.7 | L176 Q177 | K174-L176 PolarHBondContact O-N 3.34Å; K174-Q177 WeakPolarHBondContact O-CB 3.48Å; K174-Q177 PolarHBondContact O-N 2.93Å; K174-Q177 VanDerWaalsContact O-N 3.16Å |
| 175 | E | 92.5 | Very high | 90.7 | Very high | 158 Ų | 158 | 73.8 Ų | 73.8 | 74% | 0.738 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -67.1 | -23.8 | -178.7 | -53.2 | 72.2 | -153.5 | 0 | 0 | 111.8 | P173 | P173-E175 WeakPolarHBondContact CB-OE2 3.47Å; P173-E175 PolarHBondContact O-N 2.86Å |
| 176 | L | 91.7 | Very high | 89.2 | Confident | 59 Ų | 59 | 80.4 Ų | 80.4 | 31% | 0.309 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -97.5 | 4.7 | 178.3 | -60.5 | 179.6 | 0 | 0 | 0 | 112.8 | F172 P173 K174 N178 L181 | F172-L176 HydrophobicContact CB-CB 4.35Å; F172-L176 HydrophobicContact CD1-CD1 3.97Å; P173-L176 PolarHBondContact O-N 2.72Å; P173-L176 VanDerWaalsContact O-N 3.07Å; K174-L176 PolarHBondContact O-N 3.34Å; L176-N178 VanDerWaalsContact C-N 3.28Å; L176-N178 PolarHBondContact O-N 3.25Å; L176-L181 HydrophobicContact CB-CD1 4.05Å; L176-L181 HydrophobicContact CD1-CD1 4.3Å |
| 177 | Q | 93.6 | Very high | 87.6 | Confident | 45 Ų | 45 | 81.3 Ų | 81.3 | 21% | 0.21 | 41% | 0.41 | C | S | . | . | trans | -84.8 | 70.1 | -178 | -56.7 | -59.9 | -2.4 | 0 | 0 | 111.6 | W165 F172 P173 K174 | W165-Q177 PolarHBondContact O-NE2 3.19Å; F172-Q177 PolarHBondContact O-NE2 2.98Å; P173-Q177 WeakPolarHBondContact O-CG 3.39Å; K174-Q177 WeakPolarHBondContact O-CB 3.48Å; K174-Q177 PolarHBondContact O-N 2.93Å; K174-Q177 VanDerWaalsContact O-N 3.16Å | ||
| 178 | N | 93.4 | Very high | 86.1 | Confident | 98 Ų | 98 | 86.2 Ų | 86.2 | 52% | 0.524 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -134.1 | 179.1 | -179.5 | -154.9 | -13.1 | 0 | 0 | 0 | 111.3 | Y163 W165 L176 V180 | Y163-N178 WeakPolarHBondContact CB-O 3.49Å; W165-N178 PolarHBondContact NE1-O 3.1Å; L176-N178 VanDerWaalsContact C-N 3.28Å; L176-N178 PolarHBondContact O-N 3.25Å; N178-V180 PolarHBondContact O-N 3.05Å |
| 179 | S | 93.8 | Very high | 85 | Confident | 41 Ų | 41 | 91.3 Ų | 91.3 | 29% | 0.287 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -58.7 | -26.9 | 175.1 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | C154 | C154-S179 PolarHBondContact N-O 3.19Š|
| 180 | V | 95.2 | Very high | 84.4 | Confident | 46 Ų | 46 | 88.3 Ų | 88.3 | 28% | 0.279 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.9 | 178.2 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | K151 L152 N178 E182 | K151-V180 HydrophobicContact CG-CG1 3.97Å; L152-V180 CarbonylContact O-C 3.51Å; L152-V180 WeakPolarHBondContact O-CA 3.12Å; N178-V180 PolarHBondContact O-N 3.05Å; V180-E182 HydrophobicContact CG1-CG 4.3Å |
| 181 | L | 94.3 | Very high | 83.9 | Confident | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.005 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.7 | 170.3 | 176 | 68.2 | 0 | 0 | 0 | 109.3 | L152 W165 F172 L176 T183 Y194 | L152-L181 HydrophobicContact CB-CB 4.44Å; L152-L181 HydrophobicContact CD1-CD2 4.43Å; L152-L181 PolarHBondContact N-O 2.91Å; L152-L181 PolarHBondContact O-N 2.78Å; W165-L181 HydrophobicContact CB-CD1 4.38Å; W165-L181 HydrophobicContact CB-CD2 4.14Å; W165-L181 HydrophobicContact CD2-CB 3.67Å; W165-L181 HydrophobicContact CD2-CD2 3.79Å; W165-L181 HydrophobicContact CD2-CG 4.26Å; W165-L181 HydrophobicContact CE3-CB 4.16Å; W165-L181 HydrophobicContact CE3-CD2 3.66Å; W165-L181 HydrophobicContact CG-CB 3.97Å; W165-L181 HydrophobicContact CG-CD1 4.32Å; W165-L181 HydrophobicContact CG-CD2 4.02Å; W165-L181 HydrophobicContact CG-CG 4.33Å; W165-L181 HydrophobicContact CH2-CB 4.3Å; W165-L181 HydrophobicContact CZ2-CB 3.84Å; W165-L181 HydrophobicContact CZ3-CB 4.44Å; W165-L181 HydrophobicContact CZ3-CD2 4.24Å; F172-L181 HydrophobicContact CD1-CD1 4.07Å; F172-L181 HydrophobicContact CD2-CD1 4.33Å; F172-L181 HydrophobicContact CD2-CD2 4.23Å; F172-L181 HydrophobicContact CE1-CD1 4.29Å; F172-L181 HydrophobicContact CE2-CD2 3.85Å; F172-L181 HydrophobicContact CG-CD1 4.1Å; F172-L181 HydrophobicContact CZ-CD2 4.1Å; L176-L181 HydrophobicContact CB-CD1 4.05Å; L176-L181 HydrophobicContact CD1-CD1 4.3Å; L181-T183 HydrophobicContact CD2-CG2 4.36Å; L181-T183 HydrophobicContact CG-CG2 4.34Å; L181-Y194 HydrophobicContact CD2-CD1 3.78Å; L181-Y194 HydrophobicContact CD2-CE1 4.21Å |
| 182 | E | 92.6 | Very high | 83.4 | Confident | 92 Ų | 92 | 80.2 Ų | 80.2 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.9 | 169.3 | -69.9 | -175.3 | -157.6 | 0 | 0 | 109.2 | Y149 L150 K151 V180 | Y149-E182 PolarHBondContact OH-OE2 2.89Å; L150-E182 WeakPolarHBondContact O-CA 3.32Å; K151-E182 HydrophobicContact CB-CG 4.31Å; K151-E182 HydrophobicContact CD-CG 4.24Å; K151-E182 WeakPolarHBondContact CE-OE1 3.43Å; K151-E182 HydrophobicContact CG-CG 3.83Å; V180-E182 HydrophobicContact CG1-CG 4.3Å |
| 183 | T | 88.1 | Confident | 83.2 | Confident | 23 Ų | 23 | 80.9 Ų | 80.9 | 14% | 0.141 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 154.6 | -177.1 | -166.7 | 0 | 0 | 0 | 0 | 111.3 | L150 F172 L181 Y194 | L150-T183 HydrophobicContact CB-CG2 4.36Å; L150-T183 PolarHBondContact N-O 2.91Å; L150-T183 PolarHBondContact O-N 2.92Å; F172-T183 HydrophobicContact CZ-CG2 4.49Å; L181-T183 HydrophobicContact CD2-CG2 4.36Å; L181-T183 HydrophobicContact CG-CG2 4.34Å; T183-Y194 HydrophobicContact CG2-CE1 3.73Å |
| 184 | T | 84.1 | Confident | 83.1 | Confident | 75 Ų | 75 | 77.4 Ų | 77.4 | 46% | 0.46 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.3 | 177.3 | -54 | 0 | 0 | 0 | 0 | 109.4 | N147 C148 | N147-T184 HydrophobicContact CB-CG2 3.64Å; C148-T184 CarbonylContact O-C 3.48Å; C148-T184 VanDerWaalsContact O-CA 3.27Å; C148-T184 WeakPolarHBondContact O-CA 3.34Å |
| 185 | L | 74.9 | Confident | 83.3 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 129.6 | 166.4 | -67.8 | 171.2 | 0 | 0 | 0 | 108.9 | N147 C148 L150 R192 Y194 | N147-L185 CarbonylContact C-O 3.56Å; N147-L185 VanDerWaalsContact CA-O 3.3Å; N147-L185 WeakPolarHBondContact CA-O 3.33Å; C148-L185 HydrophobicContact CB-CB 3.62Å; C148-L185 HydrophobicContact CB-CD1 3.82Å; C148-L185 HydrophobicContact CB-CG 4.08Å; C148-L185 PolarHBondContact N-O 3.41Å; C148-L185 PolarHBondContact O-N 2.82Å; L150-L185 HydrophobicContact CD1-CD1 3.56Å; L150-L185 HydrophobicContact CD1-CG 3.71Å; L150-L185 HydrophobicContact CG-CD1 4.47Å; L185-R192 HydrophobicContact CD2-CB 4.14Å; L185-R192 HydrophobicContact CD2-CG 4.3Å; L185-Y194 HydrophobicContact CD2-CE2 4.43Å; L185-Y194 WeakPolarHBondContact CD2-OH 3.32Å; L185-Y194 VanDerWaalsContact CG-OH 3.31Å; L185-Y194 WeakPolarHBondContact CG-OH 3.09Å |
| 186 | M | 65.1 | Low | 83.4 | Confident | 140 Ų | 140 | 62.4 Ų | 62.4 | 69% | 0.69 | 33% | 0.33 | S | S | * | . | trans | -75.6 | 143.7 | 157.6 | -69.6 | -167.5 | 172.3 | 0 | 0 | 109.1 | H188 | M186-H188 PolarHBondContact O-N 2.77Š| ||
| 187 | P | 62.2 | Low | 83.6 | Confident | 76 Ų | 76 | 61.9 Ų | 61.9 | 49% | 0.494 | 33% | 0.326 | S | S | . | . | trans | -62.3 | 105.6 | 178.9 | 25.4 | -31.9 | 0 | 0 | 0 | 108.7 | D146 N147 | D146-P187 HydrophobicContact CB-CB 4.11Å; D146-P187 HydrophobicContact CB-CG 3.66Å; D146-P187 WeakPolarHBondContact O-CB 3.41Å; D146-P187 WeakPolarHBondContact O-CD 3.3Å; D146-P187 WeakPolarHBondContact O-CG 2.87Å; N147-P187 WeakPolarHBondContact OD1-CD 3.15Å | ||
| 188 | H | 58 | Low | 83.7 | Confident | 106 Ų | 106 | 59.8 Ų | 59.8 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | trans | -122.3 | 144 | 162.9 | -71.7 | -36.5 | 0 | 0 | 0 | 108.3 | M186 Y190 | M186-H188 PolarHBondContact O-N 2.77Å; H188-Y190 HydrophobicContact CB-CD1 3.46Å; H188-Y190 VanDerWaalsContact CB-CD1 3.46Å; H188-Y190 HydrophobicContact CB-CE1 3.2Å; H188-Y190 HydrophobicContact CB-CG 4.33Å; H188-Y190 AromaticContact CD2-CE1 3.59Å; H188-Y190 AromaticContact CD2-CZ 3.83Å; H188-Y190 PolarHBondContact CD2-OH 2.75Å; H188-Y190 AromaticContact CG-CE1 3.59Å; H188-Y190 PolarHBondContact O-N 3.23Å | ||
| 189 | N | 60.6 | Low | 83.8 | Confident | 170 Ų | 170 | 56.2 Ų | 56.2 | 91% | 0.909 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -68.1 | 15.9 | -177.6 | -68.7 | -29.8 | 0 | 0 | 0 | 114.1 | ||
| 190 | Y | 71.1 | Confident | 83.8 | Confident | 129 Ų | 129 | 56.1 Ų | 56.1 | 51% | 0.506 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -120.5 | 146.4 | -178.1 | 66.1 | -98.9 | 0 | 0 | 0 | 111.6 | H188 | H188-Y190 HydrophobicContact CB-CD1 3.46Å; H188-Y190 VanDerWaalsContact CB-CD1 3.46Å; H188-Y190 HydrophobicContact CB-CE1 3.2Å; H188-Y190 HydrophobicContact CB-CG 4.33Å; H188-Y190 AromaticContact CD2-CE1 3.59Å; H188-Y190 AromaticContact CD2-CZ 3.83Å; H188-Y190 PolarHBondContact CD2-OH 2.75Å; H188-Y190 AromaticContact CG-CE1 3.59Å; H188-Y190 PolarHBondContact O-N 3.23Å |
| 191 | S | 79 | Confident | 83.6 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | trans | -70.7 | 139.6 | 175.7 | -62.4 | 0 | 0 | 0 | 0 | 110.5 | L211 S212 | S191-L211 CarbonylContact C-O 3.49Å; S191-L211 WeakPolarHBondContact CA-O 3.11Å; S191-L211 WeakPolarHBondContact CB-O 3.38Å; S191-S212 WeakPolarHBondContact OG-CB 3.11Å; S191-S212 PolarHBondContact OG-OG 3.07Å | ||
| 192 | R | 83.3 | Confident | 83.5 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 22% | 0.223 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.5 | -178.8 | -156.1 | -179.8 | -171.2 | -172.8 | -5.2 | 111.4 | D168 L185 Y194 C210 L211 | D168-R192 WeakPolarHBondContact OD1-CG 3.4Å; D168-R192 WeakPolarHBondContact OD2-CG 3.36Å; D168-R192 IonicContact OD2-CZ 3.8Å; D168-R192 IonicContact OD2-NE 2.85Å; D168-R192 PolarHBondContact OD2-NE 2.8Å; D168-R192 IonicContact OD2-NH2 3.95Å; L185-R192 HydrophobicContact CD2-CB 4.14Å; L185-R192 HydrophobicContact CD2-CG 4.3Å; R192-Y194 HydrophobicContact CB-CE2 4.31Å; R192-Y194 HydrophobicContact CG-CE2 4.37Å; R192-C210 CarbonylContact O-C 3.58Å; R192-C210 VanDerWaalsContact O-CA 3.32Å; R192-C210 WeakPolarHBondContact O-CA 3.27Å; R192-L211 PolarHBondContact N-O 2.98Å; R192-L211 PolarHBondContact O-N 2.78Å |
| 193 | C | 88.4 | Confident | 83.6 | Confident | 41 Ų | 41 | 57 Ų | 57 | 28% | 0.277 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.2 | 178.3 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | D168 T208 V209 C210 | D168-C193 PolarHBondContact N-O 2.86Å; D168-C193 PolarHBondContact OD1-N 2.97Å; C193-T208 HydrophobicContact CB-CG2 4Å; C193-V209 CarbonylContact C-O 3.48Å; C193-V209 WeakPolarHBondContact CA-O 3.3Å; C193-C210 HydrophobicContact CB-CB 4.13Å; C193-C210 WeakPolarHBondContact CB-SG 3.14Å; C193-C210 WeakPolarHBondContact SG-CB 2.99Å; C193-C210 CovalentContact SG-SG 2.04Å; C193-C210 PolarHBondContact SG-SG 3.37Å |
| 194 | Y | 91.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.8 | 176.9 | -65.8 | -88.9 | 0 | 0 | 0 | 109.4 | L150 L152 Y166 F172 L181 T183 L185 R192 T208 V209 L211 | L150-Y194 HydrophobicContact CD1-CE2 3.79Å; L150-Y194 WeakPolarHBondContact CD1-OH 3.44Å; L152-Y194 HydrophobicContact CD1-CD1 3.98Å; L152-Y194 HydrophobicContact CD1-CD2 4.05Å; L152-Y194 HydrophobicContact CD1-CG 3.62Å; Y166-Y194 WeakPolarHBondContact O-CA 3.19Å; F172-Y194 HydrophobicContact CE2-CD1 4.12Å; F172-Y194 HydrophobicContact CE2-CE1 4.21Å; F172-Y194 HydrophobicContact CZ-CD1 4.2Å; F172-Y194 AromaticContact CZ-CE1 3.83Å; F172-Y194 HydrophobicContact CZ-CE1 3.83Å; L181-Y194 HydrophobicContact CD2-CD1 3.78Å; L181-Y194 HydrophobicContact CD2-CE1 4.21Å; T183-Y194 HydrophobicContact CG2-CE1 3.73Å; L185-Y194 HydrophobicContact CD2-CE2 4.43Å; L185-Y194 WeakPolarHBondContact CD2-OH 3.32Å; L185-Y194 VanDerWaalsContact CG-OH 3.31Å; L185-Y194 WeakPolarHBondContact CG-OH 3.09Å; R192-Y194 HydrophobicContact CB-CE2 4.31Å; R192-Y194 HydrophobicContact CG-CE2 4.37Å; Y194-T208 CarbonylContact O-C 3.48Å; Y194-T208 VanDerWaalsContact O-CA 3.24Å; Y194-T208 WeakPolarHBondContact O-CA 3.32Å; Y194-V209 PolarHBondContact N-O 3Å; Y194-V209 PolarHBondContact O-N 2.86Å; Y194-L211 HydrophobicContact CD2-CD1 4.26Å; Y194-L211 HydrophobicContact CE2-CD1 3.95Å |
| 195 | T | 95.8 | Very high | 84.5 | Confident | 24 Ų | 24 | 60.3 Ų | 60.3 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.9 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 109.4 | W165 Y166 N206 G207 T208 | W165-T195 CarbonylContact C-O 3.57Å; W165-T195 WeakPolarHBondContact CA-O 2.82Å; Y166-T195 PolarHBondContact N-O 2.75Å; Y166-T195 PolarHBondContact O-N 2.81Å; T195-N206 HydrophobicContact CG2-CB 3.84Å; T195-G207 CarbonylContact C-O 3.55Å; T195-G207 VanDerWaalsContact CA-O 3.24Å; T195-G207 WeakPolarHBondContact CA-O 3.21Å; T195-G207 WeakPolarHBondContact CG2-O 3.49Å; T195-T208 WeakPolarHBondContact OG1-CG2 3.46Å; T195-T208 PolarHBondContact OG1-OG1 2.81Å |
| 196 | C | 95.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 125.3 | 166.3 | 174 | 0 | 0 | 0 | 0 | 108.3 | I136 C154 W165 N206 G207 | I136-C196 HydrophobicContact CD1-CB 3.9Å; I136-C196 HydrophobicContact CG1-CB 3.94Å; C154-C196 HydrophobicContact CB-CB 3.67Å; C154-C196 WeakPolarHBondContact CB-SG 2.9Å; C154-C196 WeakPolarHBondContact SG-CB 3.38Å; C154-C196 CovalentContact SG-SG 2.02Å; C154-C196 PolarHBondContact SG-SG 3.21Å; W165-C196 HydrophobicContact CD2-CB 4.04Å; W165-C196 HydrophobicContact CE3-CB 3.78Å; W165-C196 HydrophobicContact CH2-CB 3.75Å; W165-C196 HydrophobicContact CZ2-CB 4Å; W165-C196 HydrophobicContact CZ3-CB 3.63Å; C196-N206 CarbonylContact O-C 3.55Å; C196-N206 WeakPolarHBondContact O-CA 3.49Å; C196-N206 WeakPolarHBondContact O-CB 3.39Å; C196-G207 PolarHBondContact N-O 2.95Å; C196-G207 PolarHBondContact O-N 2.84Å |
| 197 | Q | 96.3 | Very high | 86.8 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 23% | 0.229 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.4 | 168.6 | -175.3 | 177.3 | -79.4 | 0 | 0 | 109 | Y163 T164 Y166 S204 K205 N206 | Y163-Q197 CarbonylContact C-O 3.6Å; Y163-Q197 WeakPolarHBondContact CA-O 2.92Å; T164-Q197 PolarHBondContact N-O 2.66Å; T164-Q197 WeakPolarHBondContact O-CB 3.37Å; T164-Q197 PolarHBondContact O-N 2.67Å; Y166-Q197 HydrophobicContact CE2-CB 3.9Å; Q197-S204 VanDerWaalsContact CD-OG 3.25Å; Q197-S204 WeakPolarHBondContact CG-OG 3.31Å; Q197-K205 CarbonylContact C-O 3.54Å; Q197-K205 WeakPolarHBondContact CA-O 3.07Å; Q197-N206 HydrophobicContact CB-CB 4.24Å; Q197-N206 HydrophobicContact CG-CB 4.47Å |
| 198 | V | 95.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.2 | 171.6 | -65.5 | 0 | 0 | 0 | 0 | 108.8 | V131 P134 I156 V161 N162 Y163 S204 K205 | V131-V198 HydrophobicContact CB-CG2 4.33Å; V131-V198 HydrophobicContact CG2-CG2 4.13Å; P134-V198 HydrophobicContact CB-CG1 3.93Å; P134-V198 HydrophobicContact CB-CG2 3.96Å; P134-V198 HydrophobicContact CG-CG1 4.32Å; P134-V198 HydrophobicContact CG-CG2 3.78Å; I156-V198 HydrophobicContact CG2-CB 4.45Å; I156-V198 HydrophobicContact CG2-CG1 4.02Å; I156-V198 HydrophobicContact CG2-CG2 4.03Å; V161-V198 HydrophobicContact CG2-CB 4.03Å; V161-V198 HydrophobicContact CG2-CG1 4.14Å; N162-V198 CarbonylContact O-C 3.55Å; N162-V198 WeakPolarHBondContact O-CA 3.42Å; Y163-V198 HydrophobicContact CD1-CG1 3.72Å; Y163-V198 HydrophobicContact CE1-CG1 3.64Å; V198-S204 WeakPolarHBondContact O-CA 3.41Å; V198-K205 HydrophobicContact CG2-CB 4.34Å; V198-K205 WeakPolarHBondContact CG2-O 3.44Å; V198-K205 PolarHBondContact N-O 2.85Å; V198-K205 PolarHBondContact O-N 2.01Å |
| 199 | S | 94.8 | Very high | 90 | Very high | 23 Ų | 23 | 53 Ų | 53 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 149.3 | -177.5 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | V161 N162 S203 | V161-S199 WeakPolarHBondContact CB-O 3.41Å; N162-S199 PolarHBondContact N-O 3Å; N162-S199 PolarHBondContact O-N 2.81Å; N162-S199 PolarHBondContact O-OG 2.88Å; S199-S203 WeakPolarHBondContact CA-O 3.45Å |
| 200 | N | 93.1 | Very high | 91.3 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 21% | 0.214 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | -177.4 | 162.4 | 67.2 | 7.9 | 0 | 0 | 0 | 108.8 | D129 V131 V202 S203 | D129-N200 PolarHBondContact O-ND2 2.04Å; V131-N200 HydrophobicContact CG1-CB 3.93Å; N200-V202 PolarHBondContact O-N 3.38Å; N200-V202 WeakPolarHBondContact OD1-CG2 3.49Å; N200-V202 PolarHBondContact OD1-N 3.05Å; N200-V202 VanDerWaalsContact OD1-N 3.14Å; N200-S203 PolarHBondContact N-O 2.85Å; N200-S203 PolarHBondContact O-N 2.88Å; N200-S203 PolarHBondContact OD1-N 2.87Å; N200-S203 PolarHBondContact OD1-O 2.86Å; N200-S203 PolarHBondContact OD1-OG 3.17Å |
| 201 | S | 91.9 | Very high | 91.8 | Very high | 95 Ų | 95 | 41.1 Ų | 41.1 | 66% | 0.664 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -11.3 | -176.9 | 54 | 0 | 0 | 0 | 0 | 114.6 | L128 | L128-S201 WeakPolarHBondContact CD1-OG 3.16Š|
| 202 | V | 91.8 | Very high | 91.7 | Very high | 37 Ų | 37 | 39.7 Ų | 39.7 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -14.4 | -176.4 | -61.4 | 0 | 0 | 0 | 0 | 114.2 | T34 V36 L128 N200 | T34-V202 HydrophobicContact CG2-CG1 3.79Å; V36-V202 HydrophobicContact CG2-CB 3.74Å; V36-V202 HydrophobicContact CG2-CG1 4.21Å; V36-V202 HydrophobicContact CG2-CG2 4.37Å; L128-V202 HydrophobicContact CB-CG1 4.12Å; L128-V202 HydrophobicContact CB-CG2 3.6Å; L128-V202 HydrophobicContact CD1-CG1 4.17Å; L128-V202 HydrophobicContact CD1-CG2 4.35Å; N200-V202 PolarHBondContact O-N 3.38Å; N200-V202 WeakPolarHBondContact OD1-CG2 3.49Å; N200-V202 PolarHBondContact OD1-N 3.05Å; N200-V202 VanDerWaalsContact OD1-N 3.14Å |
| 203 | S | 94 | Very high | 91 | Very high | 26 Ų | 26 | 39.8 Ų | 39.8 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 156.8 | -173.6 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | P130 V131 S199 N200 | P130-S203 VanDerWaalsContact CA-OG 3.3Å; P130-S203 WeakPolarHBondContact CA-OG 3.3Å; V131-S203 PolarHBondContact N-OG 3Å; S199-S203 WeakPolarHBondContact CA-O 3.45Å; N200-S203 PolarHBondContact N-O 2.85Å; N200-S203 PolarHBondContact O-N 2.88Å; N200-S203 PolarHBondContact OD1-N 2.87Å; N200-S203 PolarHBondContact OD1-O 2.86Å; N200-S203 PolarHBondContact OD1-OG 3.17Å |
| 204 | S | 95 | Very high | 89.9 | Confident | 55 Ų | 55 | 42.5 Ų | 42.5 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 138.8 | 174.9 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | Q197 V198 | Q197-S204 VanDerWaalsContact CD-OG 3.25Å; Q197-S204 WeakPolarHBondContact CG-OG 3.31Å; V198-S204 WeakPolarHBondContact O-CA 3.41Å |
| 205 | K | 95.8 | Very high | 88.6 | Confident | 111 Ų | 111 | 43.7 Ų | 43.7 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 154.9 | 175.1 | -67.8 | -64.1 | 179.7 | -170.4 | 0 | 109.8 | V131 Q197 V198 | V131-K205 HydrophobicContact CG2-CB 3.95Å; V131-K205 HydrophobicContact CG2-CG 3.81Å; V131-K205 WeakPolarHBondContact O-CG 3.16Å; Q197-K205 CarbonylContact C-O 3.54Å; Q197-K205 WeakPolarHBondContact CA-O 3.07Å; V198-K205 HydrophobicContact CG2-CB 4.34Å; V198-K205 WeakPolarHBondContact CG2-O 3.44Å; V198-K205 PolarHBondContact N-O 2.85Å; V198-K205 PolarHBondContact O-N 2.01Å |
| 206 | N | 95.5 | Very high | 87.3 | Confident | 83 Ų | 83 | 46.1 Ų | 46.1 | 44% | 0.444 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 160.5 | 178.5 | 61.3 | 15.6 | 0 | 0 | 0 | 112.5 | T195 C196 Q197 | T195-N206 HydrophobicContact CG2-CB 3.84Å; C196-N206 CarbonylContact O-C 3.55Å; C196-N206 WeakPolarHBondContact O-CA 3.49Å; C196-N206 WeakPolarHBondContact O-CB 3.39Å; Q197-N206 HydrophobicContact CB-CB 4.24Å; Q197-N206 HydrophobicContact CG-CB 4.47Å |
| 207 | G | 94.4 | Very high | 85.7 | Confident | 7 Ų | 7 | 51 Ų | 51 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 147.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108 | I136 T195 C196 | I136-G207 WeakPolarHBondContact CD1-O 3.13Å; T195-G207 CarbonylContact C-O 3.55Å; T195-G207 VanDerWaalsContact CA-O 3.24Å; T195-G207 WeakPolarHBondContact CA-O 3.21Å; T195-G207 WeakPolarHBondContact CG2-O 3.49Å; C196-G207 PolarHBondContact N-O 2.95Å; C196-G207 PolarHBondContact O-N 2.84Å |
| 208 | T | 94.6 | Very high | 83.9 | Confident | 81 Ų | 81 | 49.7 Ų | 49.7 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.9 | -176.6 | -55.1 | 0 | 0 | 0 | 0 | 110 | C193 Y194 T195 | C193-T208 HydrophobicContact CB-CG2 4Å; Y194-T208 CarbonylContact O-C 3.48Å; Y194-T208 VanDerWaalsContact O-CA 3.24Å; Y194-T208 WeakPolarHBondContact O-CA 3.32Å; T195-T208 WeakPolarHBondContact OG1-CG2 3.46Å; T195-T208 PolarHBondContact OG1-OG1 2.81Å |
| 209 | V | 91.1 | Very high | 81.5 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 13% | 0.127 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.4 | 170.1 | 66.4 | 0 | 0 | 0 | 0 | 108.8 | I136 I138 L152 C193 Y194 L217 | I136-V209 HydrophobicContact CB-CG1 4.3Å; I136-V209 HydrophobicContact CD1-CG1 4.17Å; I136-V209 HydrophobicContact CG2-CB 4.43Å; I136-V209 HydrophobicContact CG2-CG1 3.74Å; I138-V209 HydrophobicContact CD1-CG2 4.22Å; L152-V209 HydrophobicContact CD1-CG1 4.26Å; C193-V209 CarbonylContact C-O 3.48Å; C193-V209 WeakPolarHBondContact CA-O 3.3Å; Y194-V209 PolarHBondContact N-O 3Å; Y194-V209 PolarHBondContact O-N 2.86Å; V209-L217 HydrophobicContact CG2-CD1 3.85Å |
| 210 | C | 88.3 | Confident | 79.2 | Confident | 47 Ų | 47 | 66.2 Ų | 66.2 | 32% | 0.318 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.4 | 178.5 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | R192 C193 G218 | R192-C210 CarbonylContact O-C 3.58Å; R192-C210 VanDerWaalsContact O-CA 3.32Å; R192-C210 WeakPolarHBondContact O-CA 3.27Å; C193-C210 HydrophobicContact CB-CB 4.13Å; C193-C210 WeakPolarHBondContact CB-SG 3.14Å; C193-C210 WeakPolarHBondContact SG-CB 2.99Å; C193-C210 CovalentContact SG-SG 2.04Å; C193-C210 PolarHBondContact SG-SG 3.37Å; C210-G218 PolarHBondContact O-N 3.26Å |
| 211 | L | 82.7 | Confident | 76.7 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.016 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.3 | 179.4 | -64.1 | 171.3 | 0 | 0 | 0 | 108.5 | I138 I141 L150 S191 R192 Y194 L217 | I138-L211 HydrophobicContact CD1-CD2 3.97Å; I141-L211 HydrophobicContact CD1-CD2 4.11Å; L150-L211 HydrophobicContact CD1-CD1 3.3Å; L150-L211 HydrophobicContact CD2-CD1 3.49Å; L150-L211 VanDerWaalsContact CD2-CD1 3.49Å; L150-L211 HydrophobicContact CG-CD1 4.03Å; S191-L211 CarbonylContact C-O 3.49Å; S191-L211 WeakPolarHBondContact CA-O 3.11Å; S191-L211 WeakPolarHBondContact CB-O 3.38Å; R192-L211 PolarHBondContact N-O 2.98Å; R192-L211 PolarHBondContact O-N 2.78Å; Y194-L211 HydrophobicContact CD2-CD1 4.26Å; Y194-L211 HydrophobicContact CE2-CD1 3.95Å; L211-L217 HydrophobicContact CD2-CD1 4.31Å |
| 212 | S | 76.6 | Confident | 74 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 148.7 | 177.2 | -64 | 0 | 0 | 0 | 0 | 110 | S191 C215 T216 | S191-S212 WeakPolarHBondContact OG-CB 3.11Å; S191-S212 PolarHBondContact OG-OG 3.07Å; S212-C215 PolarHBondContact O-N 3.32Å; S212-T216 PolarHBondContact N-O 3.2Å; S212-T216 PolarHBondContact O-N 3.18Å |
| 213 | P | 68.9 | Low | 71.4 | Confident | 61 Ų | 61 | 75.1 Ų | 75.1 | 40% | 0.396 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 144.1 | 169.4 | -20.7 | 32.2 | 0 | 0 | 0 | 110.7 | ||
| 214 | P | 64.3 | Low | 68.7 | Low | 97 Ų | 97 | 80.1 Ų | 80.1 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.5 | 85.2 | -7.2 | 34.6 | -28.3 | 0 | 0 | 0 | 110.4 | T216 | P214-T216 PolarHBondContact O-N 2.85Š|
| 215 | C | 64.9 | Low | 66.2 | Low | 26 Ų | 26 | 85.1 Ų | 85.1 | 18% | 0.176 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 35 | 180 | -60.3 | 0 | 0 | 0 | 0 | 115.7 | I141 C148 S212 | I141-C215 HydrophobicContact CG2-CB 3.63Å; C148-C215 HydrophobicContact CB-CB 4.31Å; C148-C215 WeakPolarHBondContact CB-SG 3.06Å; C148-C215 WeakPolarHBondContact SG-CB 3.42Å; C148-C215 CovalentContact SG-SG 2.01Å; C148-C215 PolarHBondContact SG-SG 3.16Å; S212-C215 PolarHBondContact O-N 3.32Å |
| 216 | T | 66.8 | Low | 63.5 | Low | 74 Ų | 74 | 90.2 Ų | 90.2 | 45% | 0.454 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 149.7 | 175.7 | 59.6 | 0 | 0 | 0 | 0 | 110.9 | S212 P214 G218 | S212-T216 PolarHBondContact N-O 3.2Å; S212-T216 PolarHBondContact O-N 3.18Å; P214-T216 PolarHBondContact O-N 2.85Å; T216-G218 PolarHBondContact O-N 2.92Å |
| 217 | L | 62.7 | Low | 60.6 | Low | 103 Ų | 103 | 89.9 Ų | 89.9 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 123.1 | 172.2 | -162.6 | 84.7 | 0 | 0 | 0 | 108.4 | I138 V209 L211 K219 | I138-L217 HydrophobicContact CD1-CD1 3.26Å; I138-L217 HydrophobicContact CG1-CD1 4.5Å; V209-L217 HydrophobicContact CG2-CD1 3.85Å; L211-L217 HydrophobicContact CD2-CD1 4.31Å; L217-K219 PolarHBondContact O-N 2.77Å |
| 218 | G | 58.6 | Low | 58.1 | Low | 21 Ų | 21 | 93.7 Ų | 93.7 | 22% | 0.216 | 51% | 0.511 | C | S | . | . | trans | -58.7 | 112.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | C210 T216 K220 | C210-G218 PolarHBondContact O-N 3.26Å; T216-G218 PolarHBondContact O-N 2.92Å; G218-K220 PolarHBondContact O-N 2.89Å; G218-K220 VanDerWaalsContact O-N 3.1Å | ||
| 219 | K | 46.8 | Very low | 55.7 | Low | 191 Ų | 191 | 99.6 Ų | 99.6 | 83% | 0.83 | 53% | 0.533 | S | S | * | . | trans | -62.3 | 117.1 | 175.5 | -69.6 | -172.8 | -180 | 179.6 | 0 | 106.8 | L217 D221 | L217-K219 PolarHBondContact O-N 2.77Å; K219-D221 PolarHBondContact O-N 2.88Å | ||
| 220 | K | 44.6 | Very low | 53.1 | Low | 179 Ų | 179 | 101 Ų | 101 | 78% | 0.778 | 55% | 0.553 | S | S | * | * | trans | -64.2 | 115.8 | 156.4 | -76.2 | -167.5 | 175.7 | -169.2 | 0 | 105.7 | G218 | G218-K220 PolarHBondContact O-N 2.89Å; G218-K220 VanDerWaalsContact O-N 3.1Å | ||
| 221 | D | 40.8 | Very low | 50.3 | Low | 85 Ų | 85 | 107.3 Ų | 107.3 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | trans | -61.5 | 134.9 | 178.6 | -72.7 | -34.4 | 0 | 0 | 0 | 110 | K219 W223 E224 | K219-D221 PolarHBondContact O-N 2.88Å; D221-W223 HydrophobicContact CB-CG 4.1Å; D221-W223 PolarHBondContact O-N 3.13Å; D221-W223 PolarHBondContact OD2-NE1 2.83Å; D221-E224 PolarHBondContact O-N 3.45Å | ||
| 222 | P | 35.1 | Very low | 48.1 | Very low | 99 Ų | 99 | 118.1 Ų | 118.1 | 64% | 0.643 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -4.6 | 177.5 | -25.4 | 34.4 | 0 | 0 | 0 | 115.6 | ||
| 223 | W | 37.7 | Very low | 45.9 | Very low | 175 Ų | 175 | 122.1 Ų | 122.1 | 66% | 0.663 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -18 | 178.5 | 70.5 | -98.7 | 0 | 0 | 0 | 113.6 | D221 L225 R226 | D221-W223 HydrophobicContact CB-CG 4.1Å; D221-W223 PolarHBondContact O-N 3.13Å; D221-W223 PolarHBondContact OD2-NE1 2.83Å; W223-L225 PolarHBondContact O-N 3.43Å; W223-R226 PolarHBondContact O-N 2.78Å |
| 224 | E | 38.1 | Very low | 44.3 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 61% | 0.612 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -8.8 | 176.2 | -76.2 | -169.5 | 155.6 | 0 | 0 | 113.8 | D221 | D221-E224 PolarHBondContact O-N 3.45Š|
| 225 | L | 42.2 | Very low | 42.8 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 84% | 0.843 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 4.2 | 175.8 | -67.2 | 174.6 | 0 | 0 | 0 | 114 | W223 | W223-L225 PolarHBondContact O-N 3.43Š|
| 226 | R | 38.7 | Very low | 41.3 | Very low | 218 Ų | 218 | 137.1 Ų | 137.1 | 82% | 0.823 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -128.6 | 9.4 | -179.9 | -88.7 | -169.6 | -76.5 | -112 | -0.1 | 116.2 | W223 A228 | W223-R226 PolarHBondContact O-N 2.78Å; R226-A228 PolarHBondContact O-N 2.93Å |
| 227 | G | 34.6 | Very low | 39.7 | Very low | 75 Ų | 75 | 142.6 Ų | 142.6 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -98.5 | 63.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 228 | A | 42.5 | Very low | 38.6 | Very low | 88 Ų | 88 | 148.1 Ų | 148.1 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -143.1 | 61.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R226 | R226-A228 PolarHBondContact O-N 2.93Š|
| 229 | Q | 43.3 | Very low | 37.5 | Very low | 204 Ų | 204 | 157.3 Ų | 157.3 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 168.2 | 114.3 | 142.5 | -96.5 | 157.4 | -31.1 | 0 | 0 | 109.2 | ||
| 230 | G | 36.4 | Very low | 37.1 | Very low | 52 Ų | 52 | 153.2 Ų | 153.2 | 54% | 0.536 | 79% | 0.785 | S | S | . | * | trans | 150.2 | 115.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | W232 | G230-W232 PolarHBondContact O-NE1 3.5Š| ||
| 231 | N | 30.7 | Very low | 37.4 | Very low | 178 Ų | 178 | 148.9 Ų | 148.9 | 95% | 0.952 | 79% | 0.791 | S | S | * | * | trans | -76.2 | 120.6 | 172.7 | -120.5 | 4.1 | 0 | 0 | 0 | 108.1 | ||||
| 232 | W | 36.7 | Very low | 37.4 | Very low | 231 Ų | 231 | 148 Ų | 148 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | -115.9 | 118.5 | 176.5 | -55.9 | 92.6 | 0 | 0 | 0 | 109.3 | G230 | G230-W232 PolarHBondContact O-NE1 3.5Š| ||
| 233 | S | 29.4 | Very low | 37.5 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -104.1 | 110.1 | 167.3 | 47.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 234 | C | 35.9 | Very low | 37.8 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 120.1 | 167.3 | -81.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 235 | F | 32.2 | Very low | 37.7 | Very low | 208 Ų | 208 | 151.9 Ų | 151.9 | 91% | 0.912 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 129.9 | 166 | -113.9 | -90.8 | 0 | 0 | 0 | 109.3 | ||
| 236 | E | 33.8 | Very low | 38.1 | Very low | 161 Ų | 161 | 149.5 Ų | 149.5 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 122.1 | 179 | -156 | 170 | -177.9 | 0 | 0 | 109.8 | ||
| 237 | Q | 33.6 | Very low | 38 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -122.3 | 106.8 | 162.1 | -76.6 | -164.8 | -6.1 | 0 | 0 | 109.9 | ||||
| 238 | R | 39.7 | Very low | 38 | Very low | 220 Ų | 220 | 147 Ų | 147 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | trans | -70.7 | 128.2 | 161.3 | -69.1 | -177.7 | -168.2 | 171.9 | 4 | 108.9 | ||||
| 239 | K | 35.8 | Very low | 37.8 | Very low | 214 Ų | 214 | 148.2 Ų | 148.2 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | trans | -140.6 | 136.4 | 143.3 | -90 | -154.2 | 178.6 | -176.9 | 0 | 111.2 | ||||
| 240 | A | 37 | Very low | 37.2 | Very low | 105 Ų | 105 | 144 Ų | 144 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -79.7 | 137.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 241 | G | 51.3 | Low | 36.9 | Very low | 87 Ų | 87 | 152.4 Ų | 152.4 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | S | Bend | trans | 76.7 | 95.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 242 | G | 40.7 | Very low | 37.2 | Very low | 68 Ų | 68 | 159 Ų | 159 | 70% | 0.701 | 84% | 0.843 | S | S | * | * | trans | 159.3 | 152.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 243 | P | 36.6 | Very low | 37.2 | Very low | 137 Ų | 137 | 155.4 Ų | 155.4 | 89% | 0.89 | 84% | 0.841 | S | S | * | * | trans | -74.4 | 154.5 | -161.8 | 31 | -34.2 | 0 | 0 | 0 | 114.3 | ||||
| 244 | I | 44.6 | Very low | 37.6 | Very low | 169 Ų | 169 | 157.5 Ų | 157.5 | 87% | 0.867 | 84% | 0.843 | S | S | * | * | trans | -69.8 | 128 | -177.9 | -60.5 | 163.3 | 0 | 0 | 0 | 110.8 | ||||
| 245 | Q | 36.4 | Very low | 37.7 | Very low | 179 Ų | 179 | 159 Ų | 159 | 84% | 0.836 | 84% | 0.841 | S | S | * | * | trans | -168.2 | 159 | 143.1 | -105.7 | -177.8 | -12.1 | 0 | 0 | 111.9 | ||||
| 246 | P | 49.5 | Very low | 38 | Very low | 112 Ų | 112 | 156.1 Ų | 156.1 | 73% | 0.727 | 84% | 0.837 | S | S | * | * | trans | -90.3 | 161.8 | -145.6 | 37.3 | -37.7 | 0 | 0 | 0 | 114 | ||||
| 247 | P | 36.8 | Very low | 38.3 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 74% | 0.74 | 84% | 0.843 | S | S | * | * | trans | -140.4 | 97.2 | 147.6 | 35.8 | -17.6 | 0 | 0 | 0 | 111.4 | ||||
| 248 | C | 35.3 | Very low | 38.6 | Very low | 127 Ų | 127 | 153.6 Ų | 153.6 | 86% | 0.858 | 84% | 0.84 | S | S | * | * | trans | -125.6 | 78.7 | 150.5 | -71.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 249 | T | 38.1 | Very low | 38.5 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 69% | 0.693 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 121.7 | 166.4 | -35.4 | 0 | 0 | 0 | 0 | 107.2 | ||
| 250 | V | 30.9 | Very low | 38.7 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 70% | 0.703 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 126.6 | 173.8 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | ||
| 251 | W | 29.6 | Very low | 38.9 | Very low | 228 Ų | 228 | 147.1 Ų | 147.1 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 134.6 | 158.3 | -66.6 | 92.6 | 0 | 0 | 0 | 107.6 | ||
| 252 | W | 36.8 | Very low | 37.8 | Very low | 315 Ų | 315 | 152.5 Ų | 152.5 | 100% | 1.193 | 83% | 0.825 | S | S | * | * | trans | -62.8 | 0 | -178.4 | -51 | 91.1 | 0 | 0 | 0 | 112.5 |
Retrieved 252 of 252 residues in 176 ms
(Link to these results)