| 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 | 42.3 | Very low | 38.4 | Very low | 247 Ų | 247 | 141.2 Ų | 141.2 | 100% | 1.217 | 82% | 0.817 | S | S | * | * | 0 | 107.3 | 0 | -79.6 | 179.9 | -86.3 | 0 | 0 | 107.1 | |||||
| 2 | A | 35.8 | Very low | 38 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -76.2 | 128.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | G | 37.9 | Very low | 38.2 | Very low | 75 Ų | 75 | 141.9 Ų | 141.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -98.6 | 112 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 4 | T | 39.4 | Very low | 38.1 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 120 | 178.4 | -46.5 | 0 | 0 | 0 | 0 | 109.4 | ||
| 5 | V | 39.3 | Very low | 38 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 76% | 0.758 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 121.8 | 172.9 | 178 | 0 | 0 | 0 | 0 | 108.4 | V7 | V5-V7 HydrophobicContact CG1-CG2 4.45Š|
| 6 | Y | 37.5 | Very low | 38.4 | Very low | 211 Ų | 211 | 138.8 Ų | 138.8 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 121.4 | 172.8 | -80.8 | -95.4 | 0 | 0 | 0 | 109.4 | ||
| 7 | V | 39 | Very low | 38.4 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 75% | 0.745 | 80% | 0.804 | S | S | * | * | trans | -106.8 | 113.1 | 170.6 | -179 | 0 | 0 | 0 | 0 | 107.9 | V5 | V5-V7 HydrophobicContact CG1-CG2 4.45Š| ||
| 8 | T | 36.5 | Very low | 39.2 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -81.3 | 108.9 | 175.5 | 19.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 9 | T | 36.6 | Very low | 39.6 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | trans | -86.8 | 111.1 | 176.1 | -20.4 | 0 | 0 | 0 | 0 | 109.8 | I11 | T9-I11 PolarHBondContact O-N 3.25Š| ||
| 10 | I | 40.9 | Very low | 39.8 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -81.2 | 113.4 | 172.8 | -65.2 | 174.6 | 0 | 0 | 0 | 108.2 | L12 | I10-L12 PolarHBondContact O-N 3.49Š| ||
| 11 | I | 37.4 | Very low | 39.7 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 72% | 0.718 | 81% | 0.814 | S | S | * | * | trans | -84.8 | 107.8 | 173.4 | -60.6 | 174 | 0 | 0 | 0 | 107.7 | T9 I13 | T9-I11 PolarHBondContact O-N 3.25Å; I11-I13 HydrophobicContact CG2-CG1 3.87Å; I11-I13 PolarHBondContact O-N 2.82Å | ||
| 12 | L | 33.8 | Very low | 39.9 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -79.5 | 95.5 | 170.3 | -107.3 | 144.6 | 0 | 0 | 0 | 108.8 | I10 L14 | I10-L12 PolarHBondContact O-N 3.49Å; L12-L14 HydrophobicContact CD2-CD2 4.42Å; L12-L14 PolarHBondContact O-N 2.91Å | ||
| 13 | I | 40.1 | Very low | 40.1 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -81.1 | 97 | 170.4 | -42.6 | 167.8 | 0 | 0 | 0 | 106.4 | I11 G15 | I11-I13 HydrophobicContact CG2-CG1 3.87Å; I11-I13 PolarHBondContact O-N 2.82Å; I13-G15 PolarHBondContact O-N 2.93Å | ||
| 14 | L | 37.2 | Very low | 40.5 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | trans | -77.8 | 102.8 | 170.1 | -74.1 | 170.6 | 0 | 0 | 0 | 108.3 | L12 | L12-L14 HydrophobicContact CD2-CD2 4.42Å; L12-L14 PolarHBondContact O-N 2.91Å | ||
| 15 | G | 37 | Very low | 40.5 | Very low | 67 Ų | 67 | 143.1 Ų | 143.1 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | -62.4 | 142.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I13 G17 | I13-G15 PolarHBondContact O-N 2.93Å; G15-G17 PolarHBondContact O-N 3.28Å; G15-G17 VanDerWaalsContact O-N 3.07Å | ||
| 16 | V | 44.5 | Very low | 40.5 | Very low | 155 Ų | 155 | 141 Ų | 141 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | trans | -60.6 | 105.7 | 175.7 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 17 | G | 38 | Very low | 40.6 | Very low | 71 Ų | 71 | 136.1 Ų | 136.1 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | -118.2 | 103 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109 | G15 Q19 | G15-G17 PolarHBondContact O-N 3.28Å; G15-G17 VanDerWaalsContact O-N 3.07Å; G17-Q19 PolarHBondContact O-N 3.15Å | ||
| 18 | S | 53.2 | Low | 40.8 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -67.2 | 113.3 | 176.2 | 44.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 19 | Q | 46.8 | Very low | 41.4 | Very low | 193 Ų | 193 | 133.3 Ų | 133.3 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -173.6 | 132.5 | 145.9 | -105.9 | 160.1 | 10.7 | 0 | 0 | 111.8 | G17 | G17-Q19 PolarHBondContact O-N 3.15Š| ||
| 20 | A | 42.6 | Very low | 42 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 65.5 | 73.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 21 | L | 37.1 | Very low | 42.7 | Very low | 181 Ų | 181 | 129.2 Ų | 129.2 | 95% | 0.948 | 76% | 0.76 | S | S | * | * | trans | -127.2 | 47.6 | 150.9 | -129.2 | 116.5 | 0 | 0 | 0 | 110 | ||||
| 22 | D | 47.2 | Very low | 43.8 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | -129.3 | 96 | 170 | -97.4 | -34.5 | 0 | 0 | 0 | 106.8 | ||||
| 23 | L | 41.3 | Very low | 45.1 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 175.6 | 67.4 | 154.1 | -94.7 | 168.5 | 0 | 0 | 0 | 108 | ||
| 24 | L | 44.4 | Very low | 46.4 | Very low | 166 Ų | 166 | 121 Ų | 121 | 87% | 0.869 | 73% | 0.726 | S | S | * | * | trans | -168.9 | 51.9 | 150.8 | -100.7 | 168.5 | 0 | 0 | 0 | 108 | A26 | L24-A26 PolarHBondContact O-N 3.25Å; L24-A26 VanDerWaalsContact O-N 3.08Å | ||
| 25 | K | 39.9 | Very low | 48.2 | Very low | 188 Ų | 188 | 117.9 Ų | 117.9 | 82% | 0.817 | 72% | 0.717 | S | S | * | * | trans | -81.4 | 76.1 | 157.3 | -151.2 | 172.6 | -168.3 | 175 | 0 | 106 | T27 | K25-T27 PolarHBondContact O-N 2.88Š| ||
| 26 | A | 40.6 | Very low | 50.2 | Low | 80 Ų | 80 | 119.2 Ų | 119.2 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | trans | -61.9 | 93.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | L24 S28 | L24-A26 PolarHBondContact O-N 3.25Å; L24-A26 VanDerWaalsContact O-N 3.08Å; A26-S28 PolarHBondContact O-N 3.01Å | ||
| 27 | T | 39.8 | Very low | 52 | Low | 110 Ų | 110 | 112.2 Ų | 112.2 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | trans | -61.8 | 90.5 | 161.8 | 36.4 | 0 | 0 | 0 | 0 | 105.4 | K25 V29 | K25-T27 PolarHBondContact O-N 2.88Å; T27-V29 PolarHBondContact O-N 2.88Å | ||
| 28 | S | 42.7 | Very low | 54.3 | Low | 107 Ų | 107 | 117 Ų | 117 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | trans | -62.5 | 88.9 | 161.2 | 58.6 | 0 | 0 | 0 | 0 | 105.4 | A26 L30 | A26-S28 PolarHBondContact O-N 3.01Å; S28-L30 PolarHBondContact O-N 2.98Å | ||
| 29 | V | 48 | Very low | 56.2 | Low | 91 Ų | 91 | 113 Ų | 113 | 55% | 0.552 | 64% | 0.641 | S | S | * | * | trans | -62.4 | 99 | 155.6 | -179.4 | 0 | 0 | 0 | 0 | 102.9 | T27 G31 | T27-V29 PolarHBondContact O-N 2.88Å; V29-G31 PolarHBondContact O-N 2.79Å | ||
| 30 | L | 50.1 | Low | 58.5 | Low | 165 Ų | 165 | 107.9 Ų | 107.9 | 86% | 0.864 | 62% | 0.617 | S | S | * | * | trans | -68.5 | 71.3 | 168.8 | -176.2 | 69.5 | 0 | 0 | 0 | 106 | S28 | S28-L30 PolarHBondContact O-N 2.98Š| ||
| 31 | G | 56 | Low | 61 | Low | 25 Ų | 25 | 104.2 Ų | 104.2 | 26% | 0.258 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -77.5 | 133.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | V29 | V29-G31 PolarHBondContact O-N 2.79Š|
| 32 | D | 59.9 | Low | 63.8 | Low | 148 Ų | 148 | 98 Ų | 98 | 79% | 0.791 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 142.3 | 172 | -68 | -47.9 | 0 | 0 | 0 | 109.8 | ||
| 33 | P | 61 | Low | 66 | Low | 94 Ų | 94 | 90.9 Ų | 90.9 | 61% | 0.61 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 145.1 | 175.3 | 25.6 | -33.5 | 0 | 0 | 0 | 109.3 | ||
| 34 | P | 66.8 | Low | 68.2 | Low | 16 Ų | 16 | 83.1 Ų | 83.1 | 10% | 0.104 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 146.2 | -176.4 | 23.9 | -33.6 | 0 | 0 | 0 | 112.2 | T36 A125 H127 S132 | P34-T36 PolarHBondContact O-N 3.34Å; P34-A125 HydrophobicContact CB-CB 4.43Å; P34-A125 HydrophobicContact CG-CB 4.25Å; P34-H127 WeakPolarHBondContact CB-CE1 3.3Å; P34-H127 VanDerWaalsContact CB-ND1 3.33Å; P34-H127 WeakPolarHBondContact CB-ND1 3.43Å; P34-H127 HydrophobicContact CG-CB 4.44Å; P34-H127 VanDerWaalsContact CG-ND1 3.29Å; P34-H127 WeakPolarHBondContact CG-ND1 3.35Å; P34-S132 WeakPolarHBondContact CG-OG 3.49Å; P34-S132 WeakPolarHBondContact O-CB 3.3Å; P34-S132 PolarHBondContact O-OG 3.11Å |
| 35 | S | 76.3 | Confident | 70.2 | Confident | 89 Ų | 89 | 75.7 Ų | 75.7 | 62% | 0.622 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 141.9 | 172.2 | 55.6 | 0 | 0 | 0 | 0 | 109.9 | P37 S132 | S35-P37 WeakPolarHBondContact O-CD 3.3Å; S35-S132 PolarHBondContact O-OG 3.08Å |
| 36 | T | 78.7 | Confident | 72.6 | Confident | 94 Ų | 94 | 67.1 Ų | 67.1 | 58% | 0.577 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -64 | 127.9 | 177.4 | 43.9 | 0 | 0 | 0 | 0 | 109.1 | P34 K38 | P34-T36 PolarHBondContact O-N 3.34Å; T36-K38 PolarHBondContact O-N 2.84Å |
| 37 | P | 81.6 | Confident | 74.8 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 130.3 | 179.8 | -26.4 | 35.8 | 0 | 0 | 0 | 111.1 | S35 V39 W54 Y65 I123 A125 H134 | S35-P37 WeakPolarHBondContact O-CD 3.3Å; P37-V39 HydrophobicContact CB-CG2 4.01Å; P37-V39 PolarHBondContact O-N 2.81Å; P37-W54 HydrophobicContact CB-CB 4.23Å; P37-W54 HydrophobicContact CB-CG 4.16Å; P37-Y65 HydrophobicContact CG-CE1 3.94Å; P37-I123 HydrophobicContact CB-CG2 4.35Å; P37-I123 HydrophobicContact CG-CG2 4.27Å; P37-A125 HydrophobicContact CG-CB 4.17Å; P37-H134 HydrophobicContact CB-CB 4.44Å; P37-H134 PolarHBondContact O-ND1 3.26Å |
| 38 | K | 87.5 | Confident | 76.9 | Confident | 173 Ų | 173 | 63.2 Ų | 63.2 | 75% | 0.752 | 36% | 0.361 | S | S | * | . | trans | -85.4 | 90.9 | 171.9 | -68.3 | -177.7 | -177.7 | 176.6 | 0 | 108.4 | T36 W54 | T36-K38 PolarHBondContact O-N 2.84Å; K38-W54 WeakPolarHBondContact O-CB 3.39Å | ||
| 39 | V | 92.8 | Very high | 78.9 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | trans | -87.2 | 133.1 | -174.6 | -176 | 0 | 0 | 0 | 0 | 110.2 | P37 C52 S53 W54 L121 I123 H134 | P37-V39 HydrophobicContact CB-CG2 4.01Å; P37-V39 PolarHBondContact O-N 2.81Å; V39-C52 HydrophobicContact CG1-CB 4.07Å; V39-S53 WeakPolarHBondContact CA-O 3.37Å; V39-W54 HydrophobicContact CG1-CE3 4.46Å; V39-W54 HydrophobicContact CG2-CB 4.34Å; V39-W54 HydrophobicContact CG2-CE3 4.42Å; V39-L121 HydrophobicContact CG1-CD2 4.09Å; V39-I123 HydrophobicContact CB-CD1 4.07Å; V39-I123 HydrophobicContact CG1-CD1 3.45Å; V39-I123 VanDerWaalsContact CG1-CD1 3.45Å; V39-I123 HydrophobicContact CG2-CB 4.3Å; V39-I123 HydrophobicContact CG2-CD1 3.42Å; V39-I123 VanDerWaalsContact CG2-CD1 3.42Å; V39-I123 HydrophobicContact CG2-CG1 4.45Å; V39-H134 HydrophobicContact CG2-CB 3.86Å; V39-H134 VanDerWaalsContact CG2-CD2 3.46Å; V39-H134 WeakPolarHBondContact CG2-CD2 3.1Å | ||
| 40 | H | 94.3 | Very high | 81 | Confident | 85 Ų | 85 | 55.8 Ų | 55.8 | 39% | 0.394 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126 | 170.8 | 178.7 | -88.1 | 0 | 0 | 0 | 109.4 | W42 C52 S53 | H40-W42 AromaticContact CE1-CE3 3.9Å; H40-W42 AromaticContact ND1-CE3 3.35Å; H40-W42 VanDerWaalsContact ND1-CE3 3.35Å; H40-W42 AromaticContact ND1-CZ3 3.87Å; H40-C52 CarbonylContact O-C 3.57Å; H40-C52 VanDerWaalsContact O-CA 3.24Å; H40-C52 WeakPolarHBondContact O-CA 3.42Å; H40-S53 PolarHBondContact N-O 3.27Å; H40-S53 PolarHBondContact O-N 3.07Å |
| 41 | C | 95.1 | Very high | 83 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 14% | 0.142 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 141.8 | 178.7 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | F51 C52 L121 I143 | C41-F51 CarbonylContact C-O 3.58Å; C41-F51 VanDerWaalsContact CA-O 3.22Å; C41-F51 WeakPolarHBondContact CA-O 3.36Å; C41-C52 HydrophobicContact CB-CB 4.12Å; C41-C52 WeakPolarHBondContact CB-SG 3.26Å; C41-C52 WeakPolarHBondContact SG-CB 3.06Å; C41-C52 CovalentContact SG-SG 2.04Å; C41-C52 PolarHBondContact SG-SG 2.92Å; C41-L121 WeakPolarHBondContact SG-CD2 3.38Å; C41-I143 HydrophobicContact CB-CD1 4.33Å |
| 42 | W | 95.1 | Very high | 84.9 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 158.8 | 176.6 | 73.1 | 104 | 0 | 0 | 0 | 112.2 | H40 T50 F51 S53 I143 K145 | H40-W42 AromaticContact CE1-CE3 3.9Å; H40-W42 AromaticContact ND1-CE3 3.35Å; H40-W42 VanDerWaalsContact ND1-CE3 3.35Å; H40-W42 AromaticContact ND1-CZ3 3.87Å; W42-T50 WeakPolarHBondContact O-CA 3.49Å; W42-F51 HydrophobicContact CD2-CB 4.27Å; W42-F51 HydrophobicContact CE3-CB 4.33Å; W42-F51 HydrophobicContact CH2-CB 3.91Å; W42-F51 HydrophobicContact CZ2-CB 3.82Å; W42-F51 HydrophobicContact CZ2-CD2 4.36Å; W42-F51 HydrophobicContact CZ2-CG 4.41Å; W42-F51 HydrophobicContact CZ3-CB 4.15Å; W42-F51 PolarHBondContact N-O 2.93Å; W42-F51 PolarHBondContact O-N 2.77Å; W42-S53 WeakPolarHBondContact CZ3-OG 3.3Å; W42-I143 CarbonylContact C-O 3.51Å; W42-I143 VanDerWaalsContact CA-O 3.24Å; W42-I143 WeakPolarHBondContact CA-O 3.47Å; W42-K145 HydrophobicContact CB-CB 4.1Å; W42-K145 HydrophobicContact CB-CD 4.48Å |
| 43 | C | 93.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 106.1 | 173.9 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | V49 L140 I143 K145 | C43-V49 VanDerWaalsContact CA-O 3.26Å; C43-V49 WeakPolarHBondContact CA-O 3.28Å; C43-V49 PolarHBondContact SG-O 2.84Å; C43-L140 HydrophobicContact CB-CD2 4.47Å; C43-I143 HydrophobicContact CB-CG1 4.37Å; C43-I143 PolarHBondContact N-O 3.13Å; C43-K145 CarbonylContact O-C 3.49Å; C43-K145 PolarHBondContact O-N 2.94Å |
| 44 | S | 88.3 | Confident | 88 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -20.5 | -177.5 | 60 | 0 | 0 | 0 | 0 | 114.1 | V49 K145 | S44-V49 PolarHBondContact N-O 2.99Å; S44-K145 VanDerWaalsContact CA-O 3.29Å; S44-K145 WeakPolarHBondContact CA-O 3.27Å |
| 45 | S | 86.8 | Confident | 89 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 88.6 | 174.6 | -169 | 0 | 0 | 0 | 0 | 108.7 | P47 N48 V49 T171 | S45-P47 CarbonylContact O-C 3.56Å; S45-N48 PolarHBondContact O-N 2.84Å; S45-V49 PolarHBondContact O-N 2.88Å; S45-T171 VanDerWaalsContact CB-O 3.23Å; S45-T171 WeakPolarHBondContact CB-O 3.16Å; S45-T171 PolarHBondContact OG-O 3.27Å |
| 46 | Y | 89 | Confident | 89.2 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 4% | 0.035 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 132.2 | -173.1 | -177.2 | -106 | 0 | 0 | 0 | 111.6 | L115 L140 E141 V144 W172 F178 | Y46-L115 HydrophobicContact CE1-CD2 4.14Å; Y46-L115 HydrophobicContact CE2-CD2 3.69Å; Y46-L115 WeakPolarHBondContact OH-CD2 3.28Å; Y46-L140 HydrophobicContact CE2-CB 3.97Å; Y46-E141 PolarHBondContact OH-OE1 2.79Å; Y46-V144 HydrophobicContact CD2-CG1 4.46Å; Y46-V144 HydrophobicContact CD2-CG2 3.42Å; Y46-V144 VanDerWaalsContact CD2-CG2 3.42Å; Y46-V144 HydrophobicContact CE2-CG2 3.57Å; Y46-V144 HydrophobicContact CG-CG1 4.43Å; Y46-V144 HydrophobicContact CG-CG2 4.1Å; Y46-W172 HydrophobicContact CG-CH2 4.23Å; Y46-F178 HydrophobicContact CD1-CB 4.18Å; Y46-F178 AromaticContact CD1-CD1 3.68Å; Y46-F178 HydrophobicContact CD1-CD1 3.68Å; Y46-F178 AromaticContact CD1-CD2 3.9Å; Y46-F178 HydrophobicContact CD1-CD2 3.9Å; Y46-F178 AromaticContact CD1-CE1 3.99Å; Y46-F178 HydrophobicContact CD1-CE1 3.99Å; Y46-F178 HydrophobicContact CD1-CE2 4.21Å; Y46-F178 AromaticContact CD1-CG 3.63Å; Y46-F178 HydrophobicContact CD1-CG 3.63Å; Y46-F178 HydrophobicContact CD1-CZ 4.24Å; Y46-F178 AromaticContact CE1-CD1 3.5Å; Y46-F178 HydrophobicContact CE1-CD1 3.5Å; Y46-F178 HydrophobicContact CE1-CD2 4.38Å; Y46-F178 AromaticContact CE1-CE1 3.48Å; Y46-F178 HydrophobicContact CE1-CE1 3.48Å; Y46-F178 VanDerWaalsContact CE1-CE1 3.48Å; Y46-F178 HydrophobicContact CE1-CE2 4.38Å; Y46-F178 AromaticContact CE1-CG 3.97Å; Y46-F178 HydrophobicContact CE1-CG 3.97Å; Y46-F178 AromaticContact CE1-CZ 3.94Å; Y46-F178 HydrophobicContact CE1-CZ 3.94Å |
| 47 | P | 87.7 | Confident | 89 | Confident | 24 Ų | 24 | 38 Ų | 38 | 16% | 0.156 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -100.5 | 16.4 | 0.6 | 39.3 | -35 | 0 | 0 | 0 | 114.2 | S45 L115 L140 F178 | S45-P47 CarbonylContact O-C 3.56Å; P47-L115 HydrophobicContact CB-CD2 3.54Å; P47-L115 HydrophobicContact CB-CG 4.34Å; P47-L115 HydrophobicContact CG-CD2 4.34Å; P47-L140 HydrophobicContact CB-CD1 3.99Å; P47-F178 HydrophobicContact CG-CE2 4.28Å |
| 48 | N | 83.8 | Confident | 88.4 | Confident | 83 Ų | 83 | 45.1 Ų | 45.1 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -37.8 | -161 | -62.8 | -31.9 | 0 | 0 | 0 | 114 | S45 | S45-N48 PolarHBondContact O-N 2.84Š|
| 49 | V | 84.9 | Confident | 87.2 | Confident | 42 Ų | 42 | 43.1 Ų | 43.1 | 26% | 0.255 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 103.5 | -167.4 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | C43 S44 S45 F51 | C43-V49 VanDerWaalsContact CA-O 3.26Å; C43-V49 WeakPolarHBondContact CA-O 3.28Å; C43-V49 PolarHBondContact SG-O 2.84Å; S44-V49 PolarHBondContact N-O 2.99Å; S45-V49 PolarHBondContact O-N 2.88Å; V49-F51 HydrophobicContact CG1-CD2 3.83Å; V49-F51 HydrophobicContact CG1-CE1 4.41Å; V49-F51 HydrophobicContact CG1-CE2 3.05Å; V49-F51 HydrophobicContact CG1-CZ 3.4Å |
| 50 | T | 92 | Very high | 85.4 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.7 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | W42 L110 L113 L140 I143 | W42-T50 WeakPolarHBondContact O-CA 3.49Å; T50-L110 HydrophobicContact CG2-CB 4.21Å; T50-L110 HydrophobicContact CG2-CD1 4.18Å; T50-L110 PolarHBondContact O-N 2.9Å; T50-L113 HydrophobicContact CG2-CD1 4.03Å; T50-L140 WeakPolarHBondContact OG1-CD2 3.44Å; T50-I143 HydrophobicContact CG2-CD1 3.52Å |
| 51 | F | 92.9 | Very high | 83.8 | Confident | 62 Ų | 62 | 46.3 Ų | 46.3 | 27% | 0.272 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146.6 | 176.8 | -62.1 | -71.7 | 0 | 0 | 0 | 110.6 | C41 W42 V49 C108 H109 | C41-F51 CarbonylContact C-O 3.58Å; C41-F51 VanDerWaalsContact CA-O 3.22Å; C41-F51 WeakPolarHBondContact CA-O 3.36Å; W42-F51 HydrophobicContact CD2-CB 4.27Å; W42-F51 HydrophobicContact CE3-CB 4.33Å; W42-F51 HydrophobicContact CH2-CB 3.91Å; W42-F51 HydrophobicContact CZ2-CB 3.82Å; W42-F51 HydrophobicContact CZ2-CD2 4.36Å; W42-F51 HydrophobicContact CZ2-CG 4.41Å; W42-F51 HydrophobicContact CZ3-CB 4.15Å; W42-F51 PolarHBondContact N-O 2.93Å; W42-F51 PolarHBondContact O-N 2.77Å; V49-F51 HydrophobicContact CG1-CD2 3.83Å; V49-F51 HydrophobicContact CG1-CE1 4.41Å; V49-F51 HydrophobicContact CG1-CE2 3.05Å; V49-F51 HydrophobicContact CG1-CZ 3.4Å; F51-C108 CarbonylContact C-O 3.58Å; F51-C108 WeakPolarHBondContact CA-O 3.41Å; F51-H109 HydrophobicContact CD1-CB 4.24Å; F51-H109 AromaticContact CD1-CD2 3.9Å; F51-H109 HydrophobicContact CE1-CB 4.17Å; F51-H109 AromaticContact CE1-CD2 3.45Å; F51-H109 VanDerWaalsContact CE1-CD2 3.45Å; F51-H109 WeakPolarHBondContact CE1-CD2 3.37Å |
| 52 | C | 94.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140.4 | 162.9 | -61.3 | 0 | 0 | 0 | 0 | 109.3 | V39 H40 C41 H107 C108 L121 | V39-C52 HydrophobicContact CG1-CB 4.07Å; H40-C52 CarbonylContact O-C 3.57Å; H40-C52 VanDerWaalsContact O-CA 3.24Å; H40-C52 WeakPolarHBondContact O-CA 3.42Å; C41-C52 HydrophobicContact CB-CB 4.12Å; C41-C52 WeakPolarHBondContact CB-SG 3.26Å; C41-C52 WeakPolarHBondContact SG-CB 3.06Å; C41-C52 CovalentContact SG-SG 2.04Å; C41-C52 PolarHBondContact SG-SG 2.92Å; C52-H107 CarbonylContact O-C 3.54Å; C52-H107 WeakPolarHBondContact O-CA 3.43Å; C52-C108 HydrophobicContact CB-CB 4.26Å; C52-C108 PolarHBondContact N-O 3.47Å; C52-C108 PolarHBondContact O-N 3.46Å; C52-L121 HydrophobicContact CB-CD2 4.19Å; C52-L121 VanDerWaalsContact SG-CD2 3.5Å |
| 53 | S | 94.3 | Very high | 81.4 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 154.1 | 178.1 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | V39 H40 W42 W106 | V39-S53 WeakPolarHBondContact CA-O 3.37Å; H40-S53 PolarHBondContact N-O 3.27Å; H40-S53 PolarHBondContact O-N 3.07Å; W42-S53 WeakPolarHBondContact CZ3-OG 3.3Å; S53-W106 WeakPolarHBondContact CA-O 3.38Å; S53-W106 VanDerWaalsContact CB-O 3.27Å; S53-W106 WeakPolarHBondContact CB-O 3.46Å |
| 54 | W | 92.3 | Very high | 81.1 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 150 | 172.7 | 57 | 94.1 | 0 | 0 | 0 | 110 | P37 K38 V39 Y65 A67 L83 W106 C108 I123 | P37-W54 HydrophobicContact CB-CB 4.23Å; P37-W54 HydrophobicContact CB-CG 4.16Å; K38-W54 WeakPolarHBondContact O-CB 3.39Å; V39-W54 HydrophobicContact CG1-CE3 4.46Å; V39-W54 HydrophobicContact CG2-CB 4.34Å; V39-W54 HydrophobicContact CG2-CE3 4.42Å; W54-Y65 AromaticContact CD1-CE1 3.75Å; W54-Y65 AromaticContact CD1-CZ 3.76Å; W54-Y65 AromaticContact CE2-CD1 3.91Å; W54-Y65 HydrophobicContact CZ2-CD1 4.07Å; W54-Y65 AromaticContact CZ2-CG 3.97Å; W54-Y65 HydrophobicContact CZ2-CG 3.97Å; W54-Y65 AromaticContact NE1-CD1 3.37Å; W54-Y65 AromaticContact NE1-CD2 3.75Å; W54-Y65 AromaticContact NE1-CE1 3.19Å; W54-Y65 AromaticContact NE1-CE2 3.6Å; W54-Y65 AromaticContact NE1-CG 3.64Å; W54-Y65 AromaticContact NE1-CZ 3.32Å; W54-Y65 VanDerWaalsContact NE1-CZ 3.32Å; W54-A67 HydrophobicContact CH2-CB 4.33Å; W54-L83 HydrophobicContact CH2-CD2 3.44Å; W54-L83 VanDerWaalsContact CH2-CD2 3.44Å; W54-L83 HydrophobicContact CZ2-CD2 3.78Å; W54-W106 HydrophobicContact CD2-CB 3.93Å; W54-W106 HydrophobicContact CG-CB 4.28Å; W54-W106 HydrophobicContact CH2-CB 4.37Å; W54-W106 HydrophobicContact CZ2-CB 3.65Å; W54-W106 HydrophobicContact CZ2-CG 4.24Å; W54-W106 PolarHBondContact N-O 2.87Å; W54-W106 AromaticContact NE1-CD1 3.88Å; W54-W106 AromaticContact NE1-CG 3.64Å; W54-W106 PolarHBondContact O-N 3.12Å; W54-C108 HydrophobicContact CH2-CB 3.83Å; W54-C108 HydrophobicContact CZ3-CB 3.68Å; W54-I123 HydrophobicContact CD2-CD1 4.49Å; W54-I123 HydrophobicContact CD2-CG2 4.24Å; W54-I123 HydrophobicContact CE3-CD1 3.68Å; W54-I123 HydrophobicContact CE3-CG2 4.42Å; W54-I123 HydrophobicContact CH2-CD1 4.11Å; W54-I123 HydrophobicContact CH2-CG1 4.29Å; W54-I123 HydrophobicContact CH2-CG2 4.17Å; W54-I123 HydrophobicContact CZ2-CG2 3.98Å; W54-I123 HydrophobicContact CZ3-CD1 3.46Å; W54-I123 VanDerWaalsContact CZ3-CD1 3.46Å; W54-I123 HydrophobicContact CZ3-CG1 4.12Å; W54-I123 HydrophobicContact CZ3-CG2 4.39Å |
| 55 | P | 87.8 | Confident | 81.3 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 29% | 0.292 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 145.3 | 179.4 | 28.7 | -34.3 | 0 | 0 | 0 | 111.7 | L105 | P55-L105 HydrophobicContact CB-CD2 3.99Å |
| 56 | E | 80.6 | Confident | 81.6 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 47% | 0.472 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 130.5 | 167.1 | -172.8 | 168.9 | -150.6 | 0 | 0 | 109.6 | P86 Q104 | E56-P86 HydrophobicContact CB-CG 4.47Å; E56-Q104 HydrophobicContact CB-CB 4.5Å; E56-Q104 VanDerWaalsContact CB-O 3.23Å; E56-Q104 WeakPolarHBondContact CB-O 2.99Å; E56-Q104 PolarHBondContact N-O 2.91Å; E56-Q104 WeakPolarHBondContact OE2-CG 3.45Å |
| 57 | P | 73.6 | Confident | 81.9 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 23% | 0.227 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 149.1 | 177.5 | 22.7 | -30.6 | 0 | 0 | 0 | 111 | T63 Y65 | P57-T63 WeakPolarHBondContact CG-OG1 3.34Å; P57-Y65 WeakPolarHBondContact CD-OH 3.27Å |
| 58 | L | 68.3 | Low | 82.2 | Confident | 158 Ų | 158 | 59.9 Ų | 59.9 | 83% | 0.827 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 142.8 | 177.3 | -81 | 151.6 | 0 | 0 | 0 | 111.3 | S60 | L58-S60 PolarHBondContact O-N 2.84Š|
| 59 | P | 62.8 | Low | 82.8 | Confident | 131 Ų | 131 | 56.6 Ų | 56.6 | 85% | 0.851 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -65.3 | 103.3 | -166 | 25.8 | -33.8 | 0 | 0 | 0 | 110.5 | ||
| 60 | S | 55.2 | Low | 83.2 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -135.4 | -31.1 | 164 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | L58 | L58-S60 PolarHBondContact O-N 2.84Š|
| 61 | H | 61.2 | Low | 83.4 | Confident | 89 Ų | 89 | 58.6 Ų | 58.6 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -153.4 | 150.5 | 178.3 | -60.2 | 86.9 | 0 | 0 | 0 | 111.9 | T63 | H61-T63 PolarHBondContact O-N 2.85Å; H61-T63 VanDerWaalsContact O-N 3.17Å |
| 62 | P | 62.3 | Low | 83.4 | Confident | 126 Ų | 126 | 61 Ų | 61 | 82% | 0.818 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 116.1 | 173.5 | 26.7 | -31.9 | 0 | 0 | 0 | 109.7 | ||
| 63 | T | 77.6 | Confident | 83 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 15% | 0.147 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 126.1 | 176.1 | -53.4 | 0 | 0 | 0 | 0 | 109.7 | P57 H61 Y65 A125 H127 | P57-T63 WeakPolarHBondContact CG-OG1 3.34Å; H61-T63 PolarHBondContact O-N 2.85Å; H61-T63 VanDerWaalsContact O-N 3.17Å; T63-Y65 HydrophobicContact CG2-CD1 4.39Å; T63-Y65 HydrophobicContact CG2-CD2 3.98Å; T63-Y65 HydrophobicContact CG2-CE1 3.93Å; T63-Y65 HydrophobicContact CG2-CE2 3.46Å; T63-Y65 VanDerWaalsContact CG2-CE2 3.46Å; T63-Y65 HydrophobicContact CG2-CG 4.41Å; T63-Y65 VanDerWaalsContact CG2-CZ 3.43Å; T63-A125 HydrophobicContact CG2-CB 3.92Å; T63-H127 WeakPolarHBondContact CG2-CE1 2.95Å; T63-H127 PolarHBondContact OG1-CE1 3.17Å; T63-H127 PolarHBondContact OG1-NE2 3.01Å |
| 64 | Q | 87.7 | Confident | 82.3 | Confident | 131 Ų | 131 | 69.1 Ų | 69.1 | 61% | 0.612 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.9 | 164.8 | -176.2 | 176.8 | -6.8 | 0 | 0 | 109.4 | V126 | Q64-V126 HydrophobicContact CB-CB 4.45Å; Q64-V126 PolarHBondContact N-O 3.37Å; Q64-V126 PolarHBondContact O-N 3.21Å |
| 65 | Y | 90.8 | Very high | 81.4 | Confident | 16 Ų | 16 | 77.5 Ų | 77.5 | 6% | 0.063 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142 | 174.3 | -71.2 | -79.3 | 0 | 0 | 0 | 111.6 | P37 W54 P57 T63 L83 W106 I123 T124 A125 | P37-Y65 HydrophobicContact CG-CE1 3.94Å; W54-Y65 AromaticContact CD1-CE1 3.75Å; W54-Y65 AromaticContact CD1-CZ 3.76Å; W54-Y65 AromaticContact CE2-CD1 3.91Å; W54-Y65 HydrophobicContact CZ2-CD1 4.07Å; W54-Y65 AromaticContact CZ2-CG 3.97Å; W54-Y65 HydrophobicContact CZ2-CG 3.97Å; W54-Y65 AromaticContact NE1-CD1 3.37Å; W54-Y65 AromaticContact NE1-CD2 3.75Å; W54-Y65 AromaticContact NE1-CE1 3.19Å; W54-Y65 AromaticContact NE1-CE2 3.6Å; W54-Y65 AromaticContact NE1-CG 3.64Å; W54-Y65 AromaticContact NE1-CZ 3.32Å; W54-Y65 VanDerWaalsContact NE1-CZ 3.32Å; P57-Y65 WeakPolarHBondContact CD-OH 3.27Å; T63-Y65 HydrophobicContact CG2-CD1 4.39Å; T63-Y65 HydrophobicContact CG2-CD2 3.98Å; T63-Y65 HydrophobicContact CG2-CE1 3.93Å; T63-Y65 HydrophobicContact CG2-CE2 3.46Å; T63-Y65 VanDerWaalsContact CG2-CE2 3.46Å; T63-Y65 HydrophobicContact CG2-CG 4.41Å; T63-Y65 VanDerWaalsContact CG2-CZ 3.43Å; Y65-L83 VanDerWaalsContact O-CD1 3.22Å; Y65-L83 WeakPolarHBondContact O-CD1 3.4Å; Y65-W106 AromaticContact CD2-CD2 3.78Å; Y65-W106 HydrophobicContact CD2-CD2 3.78Å; Y65-W106 AromaticContact CD2-CE2 3.57Å; Y65-W106 HydrophobicContact CD2-CE3 4.35Å; Y65-W106 HydrophobicContact CD2-CG 4.09Å; Y65-W106 AromaticContact CD2-CZ2 3.98Å; Y65-W106 HydrophobicContact CD2-CZ2 3.98Å; Y65-W106 AromaticContact CD2-NE1 3.74Å; Y65-W106 AromaticContact CE2-CD1 3.7Å; Y65-W106 HydrophobicContact CE2-CD2 4.22Å; Y65-W106 AromaticContact CE2-CE2 3.81Å; Y65-W106 HydrophobicContact CE2-CG 4.17Å; Y65-W106 HydrophobicContact CE2-CZ2 4.44Å; Y65-W106 AromaticContact CE2-NE1 3.46Å; Y65-I123 HydrophobicContact CD1-CG2 4.12Å; Y65-T124 WeakPolarHBondContact CA-O 3.05Å; Y65-A125 HydrophobicContact CD1-CB 4.06Å; Y65-A125 HydrophobicContact CE1-CB 3.6Å |
| 66 | I | 93.1 | Very high | 81.1 | Confident | 77 Ų | 77 | 78.8 Ų | 78.8 | 40% | 0.395 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119.5 | 169.2 | -57 | 170.7 | 0 | 0 | 0 | 106.4 | T68 I123 T124 V126 | I66-T68 HydrophobicContact CG2-CG2 4.33Å; I66-I123 WeakPolarHBondContact O-CA 3.44Å; I66-T124 PolarHBondContact N-O 3.37Å; I66-T124 PolarHBondContact O-N 2.74Å; I66-V126 HydrophobicContact CD1-CG2 4.12Å |
| 67 | A | 95.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110 | W54 C81 L83 N122 I123 | W54-A67 HydrophobicContact CH2-CB 4.33Å; A67-C81 HydrophobicContact CB-CB 3.78Å; A67-C81 PolarHBondContact O-N 2.79Å; A67-L83 HydrophobicContact CB-CD2 3.7Å; A67-L83 HydrophobicContact CB-CG 4.24Å; A67-N122 WeakPolarHBondContact CA-O 2.91Å; A67-I123 HydrophobicContact CB-CG1 3.94Å |
| 68 | T | 95.4 | Very high | 82.3 | Confident | 33 Ų | 33 | 82.9 Ų | 82.9 | 20% | 0.202 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 150.7 | -178.9 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | I66 K79 N122 | I66-T68 HydrophobicContact CG2-CG2 4.33Å; T68-K79 CarbonylContact C-O 3.59Å; T68-K79 WeakPolarHBondContact CA-O 3.45Å; T68-N122 PolarHBondContact N-O 2.95Å; T68-N122 PolarHBondContact O-N 2.81Å |
| 69 | Y | 95.3 | Very high | 83.5 | Confident | 15 Ų | 15 | 80.7 Ų | 80.7 | 6% | 0.059 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 147.3 | 178.4 | 71.5 | -74.7 | 0 | 0 | 0 | 111.7 | K79 L110 L113 Y119 I120 | Y69-K79 HydrophobicContact CD1-CB 3.95Å; Y69-K79 VanDerWaalsContact CD1-O 3.31Å; Y69-K79 WeakPolarHBondContact CD1-O 3.39Å; Y69-K79 HydrophobicContact CE1-CB 3.49Å; Y69-K79 VanDerWaalsContact CE1-CB 3.49Å; Y69-K79 HydrophobicContact CE2-CB 4.3Å; Y69-K79 HydrophobicContact CE2-CD 4.12Å; Y69-K79 PolarHBondContact N-O 3.08Å; Y69-K79 PolarHBondContact O-N 2.96Å; Y69-L110 HydrophobicContact CD1-CD2 3.33Å; Y69-L110 HydrophobicContact CD2-CD2 4.15Å; Y69-L110 HydrophobicContact CE1-CD2 3.67Å; Y69-L110 HydrophobicContact CE2-CD2 4.42Å; Y69-L110 HydrophobicContact CG-CD2 3.59Å; Y69-L113 HydrophobicContact CD2-CD2 3.83Å; Y69-L113 HydrophobicContact CE2-CD2 3.51Å; Y69-Y119 HydrophobicContact CD2-CD1 4.16Å; Y69-Y119 HydrophobicContact CD2-CE1 4.48Å; Y69-I120 CarbonylContact C-O 3.56Å; Y69-I120 WeakPolarHBondContact CA-O 3.41Å |
| 70 | S | 94.6 | Very high | 85 | Confident | 31 Ų | 31 | 79.5 Ų | 79.5 | 22% | 0.217 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 155.1 | 177.6 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | Y119 I120 | S70-Y119 CarbonylContact O-C 3.44Å; S70-Y119 WeakPolarHBondContact O-CA 3.28Å; S70-I120 PolarHBondContact N-O 3.05Å; S70-I120 PolarHBondContact O-N 3.09Å |
| 71 | E | 95.1 | Very high | 86.7 | Confident | 54 Ų | 54 | 75.5 Ų | 75.5 | 25% | 0.252 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 134.7 | 166.7 | -64 | 174.5 | -161 | 0 | 0 | 108 | D73 G74 K114 T117 Y119 | E71-D73 VanDerWaalsContact C-N 3.35Å; E71-D73 PolarHBondContact O-N 2.7Å; E71-G74 PolarHBondContact O-N 2.91Å; E71-K114 VanDerWaalsContact CD-NZ 3.34Å; E71-K114 WeakPolarHBondContact OE1-CE 3.18Å; E71-K114 IonicContact OE1-NZ 3.13Å; E71-K114 PolarHBondContact OE1-NZ 2.81Å; E71-K114 IonicContact OE2-NZ 2.81Å; E71-K114 PolarHBondContact OE2-NZ 2.87Å; E71-K114 VanDerWaalsContact OE2-NZ 3.12Å; E71-T117 HydrophobicContact CB-CG2 4.31Å; E71-T117 HydrophobicContact CG-CG2 3.85Å; E71-Y119 HydrophobicContact CB-CE1 4.45Å; E71-Y119 HydrophobicContact CG-CD1 4.09Å; E71-Y119 HydrophobicContact CG-CE1 3.41Å; E71-Y119 VanDerWaalsContact CG-CE1 3.41Å |
| 72 | R | 92.5 | Very high | 88.2 | Confident | 111 Ų | 111 | 77.3 Ų | 77.3 | 42% | 0.419 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -46.9 | -176 | 174.7 | -179.1 | -66.3 | -76.5 | 5.9 | 112.2 | G74 E118 I120 S137 | R72-G74 VanDerWaalsContact C-N 3.35Å; R72-E118 HydrophobicContact CB-CB 4.32Å; R72-E118 VanDerWaalsContact CD-OE2 3.24Å; R72-E118 WeakPolarHBondContact CD-OE2 3.34Å; R72-E118 IonicContact CZ-OE1 3.34Å; R72-E118 IonicContact CZ-OE2 3.78Å; R72-E118 PolarHBondContact N-O 2.94Å; R72-E118 IonicContact NE-OE1 3.05Å; R72-E118 PolarHBondContact NE-OE1 2.88Å; R72-E118 IonicContact NE-OE2 2.77Å; R72-E118 PolarHBondContact NE-OE2 3.38Å; R72-E118 IonicContact NH2-OE1 2.78Å; R72-E118 PolarHBondContact NH2-OE1 3.3Å; R72-E118 IonicContact NH2-OE2 3.96Å; R72-I120 HydrophobicContact CB-CD1 4.18Å; R72-I120 HydrophobicContact CB-CG1 4.19Å; R72-I120 HydrophobicContact CG-CD1 4.13Å; R72-S137 VanDerWaalsContact NH2-CB 3.25Å; R72-S137 PolarHBondContact NH2-OG 2.9Å |
| 73 | D | 87.6 | Confident | 89.7 | Confident | 152 Ų | 152 | 73.6 Ų | 73.6 | 81% | 0.813 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 7.6 | -178 | -57.7 | -45.8 | 0 | 0 | 0 | 112.4 | E71 | E71-D73 VanDerWaalsContact C-N 3.35Å; E71-D73 PolarHBondContact O-N 2.7Å |
| 74 | G | 79 | Confident | 90.3 | Very high | 32 Ų | 32 | 73.5 Ų | 73.5 | 33% | 0.33 | 40% | 0.396 | S | S | . | . | trans | -77.8 | 131.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E71 R72 A76 | E71-G74 PolarHBondContact O-N 2.91Å; R72-G74 VanDerWaalsContact C-N 3.35Å; G74-A76 PolarHBondContact O-N 3.09Å | ||
| 75 | N | 74.2 | Confident | 90.3 | Very high | 177 Ų | 177 | 70 Ų | 70 | 95% | 0.947 | 39% | 0.385 | S | S | * | . | trans | -80.4 | 17.4 | 170.5 | -163.8 | 48 | 0 | 0 | 0 | 112.9 | ||||
| 76 | A | 81 | Confident | 90 | Very high | 71 Ų | 71 | 70.4 Ų | 70.4 | 59% | 0.587 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -98.6 | 146.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G74 | G74-A76 PolarHBondContact O-N 3.09Š|
| 77 | D | 87.1 | Confident | 89.2 | Confident | 146 Ų | 146 | 69.9 Ų | 69.9 | 78% | 0.781 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 145.8 | 176.1 | -66.7 | -53.2 | 0 | 0 | 0 | 111.6 | K79 | D77-K79 PolarHBondContact O-N 3.11Š|
| 78 | P | 91.9 | Very high | 88 | Confident | 77 Ų | 77 | 71.2 Ų | 71.2 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 131.8 | 175.4 | -23.5 | 33 | 0 | 0 | 0 | 112 | ||
| 79 | K | 93.3 | Very high | 86.3 | Confident | 111 Ų | 111 | 75.1 Ų | 75.1 | 48% | 0.483 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 143.9 | 175.8 | -64.9 | 175.5 | -175.7 | 172 | 0 | 109.6 | T68 Y69 D77 | T68-K79 CarbonylContact C-O 3.59Å; T68-K79 WeakPolarHBondContact CA-O 3.45Å; Y69-K79 HydrophobicContact CD1-CB 3.95Å; Y69-K79 VanDerWaalsContact CD1-O 3.31Å; Y69-K79 WeakPolarHBondContact CD1-O 3.39Å; Y69-K79 HydrophobicContact CE1-CB 3.49Å; Y69-K79 VanDerWaalsContact CE1-CB 3.49Å; Y69-K79 HydrophobicContact CE2-CB 4.3Å; Y69-K79 HydrophobicContact CE2-CD 4.12Å; Y69-K79 PolarHBondContact N-O 3.08Å; Y69-K79 PolarHBondContact O-N 2.96Å; D77-K79 PolarHBondContact O-N 3.11Å |
| 80 | T | 94.1 | Very high | 84.1 | Confident | 106 Ų | 106 | 77.8 Ų | 77.8 | 65% | 0.65 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 137.7 | 173 | -48 | 0 | 0 | 0 | 0 | 110.2 | ||
| 81 | C | 92.6 | Very high | 81.8 | Confident | 7 Ų | 7 | 78.5 Ų | 78.5 | 5% | 0.047 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -79 | 148.2 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | A67 L83 C108 H109 L110 | A67-C81 HydrophobicContact CB-CB 3.78Å; A67-C81 PolarHBondContact O-N 2.79Å; C81-L83 PolarHBondContact O-N 3.13Å; C81-L83 VanDerWaalsContact O-N 3.11Å; C81-C108 HydrophobicContact CB-CB 4.18Å; C81-C108 WeakPolarHBondContact CB-SG 3.33Å; C81-C108 WeakPolarHBondContact SG-CA 3.4Å; C81-C108 WeakPolarHBondContact SG-CB 3.45Å; C81-C108 CovalentContact SG-SG 2Å; C81-C108 PolarHBondContact SG-SG 3.2Å; C81-H109 PolarHBondContact SG-N 2.71Å; C81-H109 PolarHBondContact SG-O 3.18Å; C81-L110 HydrophobicContact CB-CD2 3.94Å |
| 82 | H | 92.1 | Very high | 79.4 | Confident | 127 Ų | 127 | 79.7 Ų | 79.7 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 99.6 | 170.9 | -177.5 | -91.3 | 0 | 0 | 0 | 110.2 | H109 | H82-H109 HydrophobicContact CB-CB 4.41Å; H82-H109 PolarHBondContact N-O 3.05Å; H82-H109 PolarHBondContact O-N 2.56Å; H82-H109 VanDerWaalsContact O-N 3.08Å |
| 83 | L | 92.6 | Very high | 77.1 | Confident | 48 Ų | 48 | 82.3 Ų | 82.3 | 25% | 0.251 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 127.7 | 179 | -72.1 | 174.8 | 0 | 0 | 0 | 111.4 | W54 Y65 A67 C81 H107 C108 | W54-L83 HydrophobicContact CH2-CD2 3.44Å; W54-L83 VanDerWaalsContact CH2-CD2 3.44Å; W54-L83 HydrophobicContact CZ2-CD2 3.78Å; Y65-L83 VanDerWaalsContact O-CD1 3.22Å; Y65-L83 WeakPolarHBondContact O-CD1 3.4Å; A67-L83 HydrophobicContact CB-CD2 3.7Å; A67-L83 HydrophobicContact CB-CG 4.24Å; C81-L83 PolarHBondContact O-N 3.13Å; C81-L83 VanDerWaalsContact O-N 3.11Å; L83-H107 CarbonylContact C-O 3.48Å; L83-H107 WeakPolarHBondContact CA-O 3.37Å; L83-C108 HydrophobicContact CD2-CB 4.25Å |
| 84 | V | 91.5 | Very high | 74.8 | Confident | 21 Ų | 21 | 80.3 Ų | 80.3 | 13% | 0.127 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 113 | 176 | 177.9 | 0 | 0 | 0 | 0 | 107.6 | S88 S90 H107 | V84-S88 WeakPolarHBondContact CG1-OG 3.4Å; V84-S90 VanDerWaalsContact CG1-OG 3.26Å; V84-S90 WeakPolarHBondContact CG1-OG 3.47Å; V84-H107 HydrophobicContact CB-CB 4.17Å; V84-H107 PolarHBondContact N-O 3.46Å; V84-H107 PolarHBondContact O-N 3.42Å |
| 85 | P | 87.5 | Confident | 72.8 | Confident | 58 Ų | 58 | 86 Ų | 86 | 38% | 0.377 | 53% | 0.53 | S | S | . | . | trans | -71.4 | 155.1 | -178.8 | 28.1 | -31.9 | 0 | 0 | 0 | 110.9 | S88 W106 | P85-S88 WeakPolarHBondContact O-CB 3.24Å; P85-S88 PolarHBondContact O-N 3.02Å; P85-S88 PolarHBondContact O-OG 3.29Å; P85-W106 HydrophobicContact CB-CE3 4.23Å; P85-W106 HydrophobicContact CB-CH2 3.64Å; P85-W106 HydrophobicContact CB-CZ2 4.2Å; P85-W106 HydrophobicContact CB-CZ3 3.65Å | ||
| 86 | P | 85.2 | Confident | 71.4 | Confident | 25 Ų | 25 | 85.2 Ų | 85.2 | 16% | 0.162 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 140.3 | 174.4 | -8.4 | 16 | 0 | 0 | 0 | 112.3 | E56 S88 Q104 L105 W106 | E56-P86 HydrophobicContact CB-CG 4.47Å; P86-S88 PolarHBondContact O-N 3.32Å; P86-Q104 VanDerWaalsContact CA-NE2 3.33Å; P86-Q104 HydrophobicContact CB-CB 4.29Å; P86-Q104 HydrophobicContact CB-CG 3.15Å; P86-Q104 HydrophobicContact CG-CG 3.97Å; P86-L105 WeakPolarHBondContact CA-O 3.49Å; P86-L105 WeakPolarHBondContact CB-O 3.49Å; P86-W106 VanDerWaalsContact CD-CE2 3.41Å; P86-W106 HydrophobicContact CG-CD2 4.23Å; P86-W106 HydrophobicContact CG-CG 4.03Å |
| 87 | G | 74.9 | Confident | 69.3 | Low | 65 Ų | 65 | 86.2 Ų | 86.2 | 67% | 0.67 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 4.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | Q104 | G87-Q104 VanDerWaalsContact N-NE2 3.2Š|
| 88 | S | 71.5 | Confident | 67.3 | Low | 28 Ų | 28 | 85.2 Ų | 85.2 | 20% | 0.196 | 52% | 0.522 | C | S | . | . | trans | -66.2 | 146.8 | 168.8 | 58.2 | 0 | 0 | 0 | 0 | 111.3 | V84 P85 P86 S90 S91 | V84-S88 WeakPolarHBondContact CG1-OG 3.4Å; P85-S88 WeakPolarHBondContact O-CB 3.24Å; P85-S88 PolarHBondContact O-N 3.02Å; P85-S88 PolarHBondContact O-OG 3.29Å; P86-S88 PolarHBondContact O-N 3.32Å; S88-S90 PolarHBondContact O-N 3.35Å; S88-S90 PolarHBondContact OG-OG 2.93Å; S88-S90 VanDerWaalsContact OG-OG 3.05Å; S88-S91 WeakPolarHBondContact O-CB 3.49Å; S88-S91 PolarHBondContact O-N 3Å | ||
| 89 | S | 57.9 | Low | 65.2 | Low | 116 Ų | 116 | 85.5 Ų | 85.5 | 81% | 0.811 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -60.7 | -13.5 | 179.8 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | A92 | S89-A92 WeakPolarHBondContact O-CB 3.29Š|
| 90 | S | 50.7 | Low | 63 | Low | 70 Ų | 70 | 85.9 Ų | 85.9 | 49% | 0.49 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -76.6 | -16.3 | 170.7 | 44.8 | 0 | 0 | 0 | 0 | 114.8 | V84 S88 A92 | V84-S90 VanDerWaalsContact CG1-OG 3.26Å; V84-S90 WeakPolarHBondContact CG1-OG 3.47Å; S88-S90 PolarHBondContact O-N 3.35Å; S88-S90 PolarHBondContact OG-OG 2.93Å; S88-S90 VanDerWaalsContact OG-OG 3.05Å; S90-A92 VanDerWaalsContact C-N 3.29Å |
| 91 | S | 46.3 | Very low | 60.8 | Low | 46 Ų | 46 | 89.3 Ų | 89.3 | 32% | 0.322 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -82.5 | -4.1 | 171.7 | -65.5 | 0 | 0 | 0 | 0 | 113.1 | S88 L93 | S88-S91 WeakPolarHBondContact O-CB 3.49Å; S88-S91 PolarHBondContact O-N 3Å; S91-L93 VanDerWaalsContact C-N 3.31Å; S91-L93 PolarHBondContact O-N 2.88Å |
| 92 | A | 43.8 | Very low | 59.1 | Low | 80 Ų | 80 | 91.8 Ų | 91.8 | 66% | 0.661 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 23.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S89 S90 T94 | S89-A92 WeakPolarHBondContact O-CB 3.29Å; S90-A92 VanDerWaalsContact C-N 3.29Å; A92-T94 VanDerWaalsContact C-N 3.28Å |
| 93 | L | 44.8 | Very low | 57.9 | Low | 166 Ų | 166 | 93 Ų | 93 | 87% | 0.869 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -0.2 | 174.3 | -88.4 | 154.7 | 0 | 0 | 0 | 113.6 | S91 | S91-L93 VanDerWaalsContact C-N 3.31Å; S91-L93 PolarHBondContact O-N 2.88Å |
| 94 | T | 40 | Very low | 57.3 | Low | 110 Ų | 110 | 94.7 Ų | 94.7 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -106.8 | 115 | 175.1 | 38.4 | 0 | 0 | 0 | 0 | 111.2 | A92 E96 | A92-T94 VanDerWaalsContact C-N 3.28Å; T94-E96 PolarHBondContact O-N 2.88Å |
| 95 | T | 36.1 | Very low | 57.2 | Low | 152 Ų | 152 | 96.1 Ų | 96.1 | 93% | 0.933 | 59% | 0.591 | S | S | * | * | trans | -74.2 | 67.7 | 174.3 | -33 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 96 | E | 43.8 | Very low | 57.4 | Low | 160 Ų | 160 | 95.2 Ų | 95.2 | 75% | 0.748 | 58% | 0.58 | S | S | * | * | trans | -118.2 | 145.2 | 174.3 | -93.3 | -84.4 | 139.3 | 0 | 0 | 110.5 | T94 | T94-E96 PolarHBondContact O-N 2.88Š| ||
| 97 | P | 38.3 | Very low | 57.7 | Low | 91 Ų | 91 | 96.3 Ų | 96.3 | 59% | 0.591 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 158.5 | 176.7 | 24.3 | -33.1 | 0 | 0 | 0 | 111.9 | P99 | P97-P99 WeakPolarHBondContact O-CD 3.47Å; P97-P99 VanDerWaalsContact O-N 3.11Å |
| 98 | P | 43.7 | Very low | 58.7 | Low | 125 Ų | 125 | 93.2 Ų | 93.2 | 81% | 0.812 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -58 | 122.1 | -175.5 | 23.8 | -32.8 | 0 | 0 | 0 | 109.4 | S100 | P98-S100 PolarHBondContact O-N 2.85Š|
| 99 | P | 48 | Very low | 59.7 | Low | 84 Ų | 84 | 94.6 Ų | 94.6 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 131.3 | -170.4 | 23.6 | -31.2 | 0 | 0 | 0 | 110.5 | P97 L101 S102 | P97-P99 WeakPolarHBondContact O-CD 3.47Å; P97-P99 VanDerWaalsContact O-N 3.11Å; P99-L101 PolarHBondContact O-N 2.84Å; P99-S102 WeakPolarHBondContact CB-OG 3.21Å; P99-S102 WeakPolarHBondContact CG-OG 3.08Å |
| 100 | S | 47.5 | Very low | 61.3 | Low | 118 Ų | 118 | 89.1 Ų | 89.1 | 83% | 0.825 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -55.8 | 102.6 | 158.2 | 51.7 | 0 | 0 | 0 | 0 | 108.6 | P98 S102 | P98-S100 PolarHBondContact O-N 2.85Å; S100-S102 VanDerWaalsContact C-N 3.25Å; S100-S102 PolarHBondContact O-N 3.49Å |
| 101 | L | 48.2 | Very low | 63 | Low | 178 Ų | 178 | 87.9 Ų | 87.9 | 93% | 0.932 | 51% | 0.506 | S | S | * | . | S | Bend | trans | 39.2 | 48.8 | 176.2 | -63.3 | 169 | 0 | 0 | 0 | 113.6 | P99 E103 | P99-L101 PolarHBondContact O-N 2.84Å; L101-E103 PolarHBondContact O-N 3.06Å |
| 102 | S | 56.2 | Low | 64.8 | Low | 60 Ų | 60 | 92.4 Ų | 92.4 | 42% | 0.42 | 53% | 0.527 | S | S | . | . | trans | -58.7 | 134.1 | 170.7 | 53.4 | 0 | 0 | 0 | 0 | 108.2 | P99 S100 Q104 | P99-S102 WeakPolarHBondContact CB-OG 3.21Å; P99-S102 WeakPolarHBondContact CG-OG 3.08Å; S100-S102 VanDerWaalsContact C-N 3.25Å; S100-S102 PolarHBondContact O-N 3.49Å; S102-Q104 PolarHBondContact O-N 2.87Å | ||
| 103 | E | 67.4 | Low | 67.1 | Low | 151 Ų | 151 | 89.2 Ų | 89.2 | 71% | 0.706 | 50% | 0.498 | S | S | * | . | trans | -51.1 | 117.7 | 168.8 | -62.6 | -173.9 | 166 | 0 | 0 | 108.8 | L101 L105 | L101-E103 PolarHBondContact O-N 3.06Å; E103-L105 HydrophobicContact CB-CD2 4.23Å; E103-L105 WeakPolarHBondContact O-CG 3.17Å; E103-L105 PolarHBondContact O-N 3.01Å | ||
| 104 | Q | 80.8 | Confident | 69.3 | Low | 85 Ų | 85 | 86.5 Ų | 86.5 | 40% | 0.397 | 48% | 0.479 | S | S | . | . | trans | -76.8 | 114.7 | -175.1 | -174.2 | 58.3 | 87.3 | 0 | 0 | 107.4 | E56 P86 G87 S102 | E56-Q104 HydrophobicContact CB-CB 4.5Å; E56-Q104 VanDerWaalsContact CB-O 3.23Å; E56-Q104 WeakPolarHBondContact CB-O 2.99Å; E56-Q104 PolarHBondContact N-O 2.91Å; E56-Q104 WeakPolarHBondContact OE2-CG 3.45Å; P86-Q104 VanDerWaalsContact CA-NE2 3.33Å; P86-Q104 HydrophobicContact CB-CB 4.29Å; P86-Q104 HydrophobicContact CB-CG 3.15Å; P86-Q104 HydrophobicContact CG-CG 3.97Å; G87-Q104 VanDerWaalsContact N-NE2 3.2Å; S102-Q104 PolarHBondContact O-N 2.87Å | ||
| 105 | L | 88.3 | Confident | 71.9 | Confident | 50 Ų | 50 | 84.4 Ų | 84.4 | 26% | 0.262 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 137.8 | -168.8 | -58.5 | -176.5 | 0 | 0 | 0 | 113.3 | P55 P86 E103 H107 | P55-L105 HydrophobicContact CB-CD2 3.99Å; P86-L105 WeakPolarHBondContact CA-O 3.49Å; P86-L105 WeakPolarHBondContact CB-O 3.49Å; E103-L105 HydrophobicContact CB-CD2 4.23Å; E103-L105 WeakPolarHBondContact O-CG 3.17Å; E103-L105 PolarHBondContact O-N 3.01Å; L105-H107 PolarHBondContact O-ND1 3.14Å |
| 106 | W | 91.3 | Very high | 74.6 | Confident | 40 Ų | 40 | 84 Ų | 84 | 15% | 0.152 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 145.1 | 161.6 | -77.8 | 83.4 | 0 | 0 | 0 | 110 | S53 W54 Y65 P85 P86 | S53-W106 WeakPolarHBondContact CA-O 3.38Å; S53-W106 VanDerWaalsContact CB-O 3.27Å; S53-W106 WeakPolarHBondContact CB-O 3.46Å; W54-W106 HydrophobicContact CD2-CB 3.93Å; W54-W106 HydrophobicContact CG-CB 4.28Å; W54-W106 HydrophobicContact CH2-CB 4.37Å; W54-W106 HydrophobicContact CZ2-CB 3.65Å; W54-W106 HydrophobicContact CZ2-CG 4.24Å; W54-W106 PolarHBondContact N-O 2.87Å; W54-W106 AromaticContact NE1-CD1 3.88Å; W54-W106 AromaticContact NE1-CG 3.64Å; W54-W106 PolarHBondContact O-N 3.12Å; Y65-W106 AromaticContact CD2-CD2 3.78Å; Y65-W106 HydrophobicContact CD2-CD2 3.78Å; Y65-W106 AromaticContact CD2-CE2 3.57Å; Y65-W106 HydrophobicContact CD2-CE3 4.35Å; Y65-W106 HydrophobicContact CD2-CG 4.09Å; Y65-W106 AromaticContact CD2-CZ2 3.98Å; Y65-W106 HydrophobicContact CD2-CZ2 3.98Å; Y65-W106 AromaticContact CD2-NE1 3.74Å; Y65-W106 AromaticContact CE2-CD1 3.7Å; Y65-W106 HydrophobicContact CE2-CD2 4.22Å; Y65-W106 AromaticContact CE2-CE2 3.81Å; Y65-W106 HydrophobicContact CE2-CG 4.17Å; Y65-W106 HydrophobicContact CE2-CZ2 4.44Å; Y65-W106 AromaticContact CE2-NE1 3.46Å; P85-W106 HydrophobicContact CB-CE3 4.23Å; P85-W106 HydrophobicContact CB-CH2 3.64Å; P85-W106 HydrophobicContact CB-CZ2 4.2Å; P85-W106 HydrophobicContact CB-CZ3 3.65Å; P86-W106 VanDerWaalsContact CD-CE2 3.41Å; P86-W106 HydrophobicContact CG-CD2 4.23Å; P86-W106 HydrophobicContact CG-CG 4.03Å |
| 107 | H | 92.9 | Very high | 77 | Confident | 47 Ų | 47 | 77.8 Ų | 77.8 | 22% | 0.218 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 148.4 | 174.1 | -58.5 | 78.3 | 0 | 0 | 0 | 111.3 | C52 L83 V84 L105 | C52-H107 CarbonylContact O-C 3.54Å; C52-H107 WeakPolarHBondContact O-CA 3.43Å; L83-H107 CarbonylContact C-O 3.48Å; L83-H107 WeakPolarHBondContact CA-O 3.37Å; V84-H107 HydrophobicContact CB-CB 4.17Å; V84-H107 PolarHBondContact N-O 3.46Å; V84-H107 PolarHBondContact O-N 3.42Å; L105-H107 PolarHBondContact O-ND1 3.14Å |
| 108 | C | 94.1 | Very high | 79.7 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 115.2 | 176.8 | 157.6 | 0 | 0 | 0 | 0 | 107.8 | F51 C52 W54 C81 L83 | F51-C108 CarbonylContact C-O 3.58Å; F51-C108 WeakPolarHBondContact CA-O 3.41Å; C52-C108 HydrophobicContact CB-CB 4.26Å; C52-C108 PolarHBondContact N-O 3.47Å; C52-C108 PolarHBondContact O-N 3.46Å; W54-C108 HydrophobicContact CH2-CB 3.83Å; W54-C108 HydrophobicContact CZ3-CB 3.68Å; C81-C108 HydrophobicContact CB-CB 4.18Å; C81-C108 WeakPolarHBondContact CB-SG 3.33Å; C81-C108 WeakPolarHBondContact SG-CA 3.4Å; C81-C108 WeakPolarHBondContact SG-CB 3.45Å; C81-C108 CovalentContact SG-SG 2Å; C81-C108 PolarHBondContact SG-SG 3.2Å; L83-C108 HydrophobicContact CD2-CB 4.25Å |
| 109 | H | 93.4 | Very high | 82.2 | Confident | 57 Ų | 57 | 71.3 Ų | 71.3 | 26% | 0.264 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.6 | 175.6 | -179.2 | -114.4 | 0 | 0 | 0 | 111.1 | F51 C81 H82 P111 | F51-H109 HydrophobicContact CD1-CB 4.24Å; F51-H109 AromaticContact CD1-CD2 3.9Å; F51-H109 HydrophobicContact CE1-CB 4.17Å; F51-H109 AromaticContact CE1-CD2 3.45Å; F51-H109 VanDerWaalsContact CE1-CD2 3.45Å; F51-H109 WeakPolarHBondContact CE1-CD2 3.37Å; C81-H109 PolarHBondContact SG-N 2.71Å; C81-H109 PolarHBondContact SG-O 3.18Å; H82-H109 HydrophobicContact CB-CB 4.41Å; H82-H109 PolarHBondContact N-O 3.05Å; H82-H109 PolarHBondContact O-N 2.56Å; H82-H109 VanDerWaalsContact O-N 3.08Å; H109-P111 VanDerWaalsContact O-CD 3.3Å; H109-P111 WeakPolarHBondContact O-CD 3.37Å |
| 110 | L | 91.9 | Very high | 84.4 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | trans | -112.1 | 91 | -177.2 | -63 | 173.2 | 0 | 0 | 0 | 109.6 | T50 Y69 C81 L113 L121 F138 | T50-L110 HydrophobicContact CG2-CB 4.21Å; T50-L110 HydrophobicContact CG2-CD1 4.18Å; T50-L110 PolarHBondContact O-N 2.9Å; Y69-L110 HydrophobicContact CD1-CD2 3.33Å; Y69-L110 HydrophobicContact CD2-CD2 4.15Å; Y69-L110 HydrophobicContact CE1-CD2 3.67Å; Y69-L110 HydrophobicContact CE2-CD2 4.42Å; Y69-L110 HydrophobicContact CG-CD2 3.59Å; C81-L110 HydrophobicContact CB-CD2 3.94Å; L110-L113 HydrophobicContact CB-CD1 4.15Å; L110-L113 HydrophobicContact CB-CD2 4.45Å; L110-L113 HydrophobicContact CB-CG 4.36Å; L110-L121 HydrophobicContact CD1-CD1 4.33Å; L110-L121 HydrophobicContact CD2-CD1 4.45Å; L110-F138 HydrophobicContact CD1-CZ 3.86Å | ||
| 111 | P | 86.1 | Confident | 86.7 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 29% | 0.292 | 32% | 0.324 | S | S | . | . | trans | -78.5 | 150.3 | -176.6 | 31.5 | -35.2 | 0 | 0 | 0 | 112.2 | H109 L113 | H109-P111 VanDerWaalsContact O-CD 3.3Å; H109-P111 WeakPolarHBondContact O-CD 3.37Å; P111-L113 PolarHBondContact O-N 2.99Å | ||
| 112 | N | 84.1 | Confident | 89 | Confident | 141 Ų | 141 | 57.3 Ų | 57.3 | 75% | 0.754 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 57.7 | 41.9 | 165.5 | -52.4 | -47.8 | 0 | 0 | 0 | 114.5 | ||
| 113 | L | 91.4 | Very high | 90.8 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 143.7 | 169.5 | -58.7 | -172.8 | 0 | 0 | 0 | 109.8 | T50 Y69 L110 P111 Y119 F138 L140 | T50-L113 HydrophobicContact CG2-CD1 4.03Å; Y69-L113 HydrophobicContact CD2-CD2 3.83Å; Y69-L113 HydrophobicContact CE2-CD2 3.51Å; L110-L113 HydrophobicContact CB-CD1 4.15Å; L110-L113 HydrophobicContact CB-CD2 4.45Å; L110-L113 HydrophobicContact CB-CG 4.36Å; P111-L113 PolarHBondContact O-N 2.99Å; L113-Y119 HydrophobicContact CB-CD2 4.46Å; L113-Y119 HydrophobicContact CB-CE2 3.83Å; L113-Y119 HydrophobicContact CD1-CD2 4.39Å; L113-Y119 HydrophobicContact CD2-CD1 3.97Å; L113-Y119 HydrophobicContact CD2-CD2 4.29Å; L113-Y119 HydrophobicContact CD2-CE1 3.7Å; L113-Y119 HydrophobicContact CD2-CE2 4.03Å; L113-Y119 HydrophobicContact CD2-CG 4.26Å; L113-Y119 HydrophobicContact CG-CE2 4.34Å; L113-F138 HydrophobicContact CD1-CE2 3.78Å; L113-F138 HydrophobicContact CD1-CZ 4.09Å; L113-L140 HydrophobicContact CB-CD1 3.7Å; L113-L140 HydrophobicContact CB-CD2 3.95Å; L113-L140 HydrophobicContact CB-CG 3.79Å; L113-L140 HydrophobicContact CD1-CD2 3.87Å; L113-L140 HydrophobicContact CD1-CG 4.31Å; L113-L140 HydrophobicContact CG-CD2 4.46Å; L113-L140 WeakPolarHBondContact O-CD1 3.44Å |
| 114 | K | 92 | Very high | 92.1 | Very high | 108 Ų | 108 | 48.6 Ų | 48.6 | 47% | 0.47 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -85.7 | 144.2 | 178.2 | -64.7 | 170.1 | -174.4 | 158 | 0 | 109.7 | E71 T117 Y119 | E71-K114 VanDerWaalsContact CD-NZ 3.34Å; E71-K114 WeakPolarHBondContact OE1-CE 3.18Å; E71-K114 IonicContact OE1-NZ 3.13Å; E71-K114 PolarHBondContact OE1-NZ 2.81Å; E71-K114 IonicContact OE2-NZ 2.81Å; E71-K114 PolarHBondContact OE2-NZ 2.87Å; E71-K114 VanDerWaalsContact OE2-NZ 3.12Å; K114-T117 WeakPolarHBondContact CB-OG1 3.46Å; K114-Y119 PolarHBondContact N-OH 3.02Å |
| 115 | L | 93.4 | Very high | 92.5 | Very high | 67 Ų | 67 | 44.6 Ų | 44.6 | 35% | 0.351 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 152.6 | 169.4 | -61.8 | -175.8 | 0 | 0 | 0 | 110.8 | Y46 P47 T117 L140 E141 F178 | Y46-L115 HydrophobicContact CE1-CD2 4.14Å; Y46-L115 HydrophobicContact CE2-CD2 3.69Å; Y46-L115 WeakPolarHBondContact OH-CD2 3.28Å; P47-L115 HydrophobicContact CB-CD2 3.54Å; P47-L115 HydrophobicContact CB-CG 4.34Å; P47-L115 HydrophobicContact CG-CD2 4.34Å; L115-T117 PolarHBondContact O-N 3.38Å; L115-T117 PolarHBondContact O-OG1 2.81Å; L115-L140 HydrophobicContact CD2-CB 4.44Å; L115-L140 HydrophobicContact CD2-CD1 3.87Å; L115-E141 WeakPolarHBondContact CA-OE1 3.41Å; L115-F178 HydrophobicContact CD1-CZ 4.13Å |
| 116 | L | 93.4 | Very high | 92.6 | Very high | 142 Ų | 142 | 44.6 Ų | 44.6 | 74% | 0.743 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 28.9 | 175.1 | -53.9 | 174.3 | 0 | 0 | 0 | 113.1 | E141 | L116-E141 HydrophobicContact CD2-CG 4.23Å; L116-E141 PolarHBondContact N-OE1 3.22Å; L116-E141 PolarHBondContact N-OE2 2.75Å |
| 117 | T | 94 | Very high | 92.2 | Very high | 31 Ų | 31 | 44.1 Ų | 44.1 | 19% | 0.19 | 23% | 0.228 | C | C | . | . | trans | -121 | 126.8 | -178 | -57.4 | 0 | 0 | 0 | 0 | 108.3 | E71 K114 L115 Y119 | E71-T117 HydrophobicContact CB-CG2 4.31Å; E71-T117 HydrophobicContact CG-CG2 3.85Å; K114-T117 WeakPolarHBondContact CB-OG1 3.46Å; L115-T117 PolarHBondContact O-N 3.38Å; L115-T117 PolarHBondContact O-OG1 2.81Å; T117-Y119 HydrophobicContact CG2-CD2 4.42Å; T117-Y119 HydrophobicContact CG2-CE2 3.82Å; T117-Y119 VanDerWaalsContact O-CD2 3.26Å; T117-Y119 WeakPolarHBondContact O-CD2 3.23Å | ||
| 118 | E | 95.7 | Very high | 91.7 | Very high | 73 Ų | 73 | 47 Ų | 47 | 34% | 0.341 | 25% | 0.253 | S | S | . | . | trans | -82.2 | 124.9 | 178.1 | -162.7 | -177.8 | 174.3 | 0 | 0 | 110.5 | R72 S137 M139 | R72-E118 HydrophobicContact CB-CB 4.32Å; R72-E118 VanDerWaalsContact CD-OE2 3.24Å; R72-E118 WeakPolarHBondContact CD-OE2 3.34Å; R72-E118 IonicContact CZ-OE1 3.34Å; R72-E118 IonicContact CZ-OE2 3.78Å; R72-E118 PolarHBondContact N-O 2.94Å; R72-E118 IonicContact NE-OE1 3.05Å; R72-E118 PolarHBondContact NE-OE1 2.88Å; R72-E118 IonicContact NE-OE2 2.77Å; R72-E118 PolarHBondContact NE-OE2 3.38Å; R72-E118 IonicContact NH2-OE1 2.78Å; R72-E118 PolarHBondContact NH2-OE1 3.3Å; R72-E118 IonicContact NH2-OE2 3.96Å; E118-S137 VanDerWaalsContact CD-OG 3.28Å; E118-S137 WeakPolarHBondContact CG-OG 2.95Å; E118-S137 WeakPolarHBondContact OE1-CB 3.33Å; E118-S137 PolarHBondContact OE1-OG 3.21Å; E118-M139 HydrophobicContact CB-CG 4.18Å; E118-M139 HydrophobicContact CG-CG 4.37Å | ||
| 119 | Y | 94.9 | Very high | 90.9 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 138.6 | 179 | -73 | -84.5 | 0 | 0 | 0 | 110.9 | Y69 S70 E71 L113 K114 T117 S137 F138 | Y69-Y119 HydrophobicContact CD2-CD1 4.16Å; Y69-Y119 HydrophobicContact CD2-CE1 4.48Å; S70-Y119 CarbonylContact O-C 3.44Å; S70-Y119 WeakPolarHBondContact O-CA 3.28Å; E71-Y119 HydrophobicContact CB-CE1 4.45Å; E71-Y119 HydrophobicContact CG-CD1 4.09Å; E71-Y119 HydrophobicContact CG-CE1 3.41Å; E71-Y119 VanDerWaalsContact CG-CE1 3.41Å; L113-Y119 HydrophobicContact CB-CD2 4.46Å; L113-Y119 HydrophobicContact CB-CE2 3.83Å; L113-Y119 HydrophobicContact CD1-CD2 4.39Å; L113-Y119 HydrophobicContact CD2-CD1 3.97Å; L113-Y119 HydrophobicContact CD2-CD2 4.29Å; L113-Y119 HydrophobicContact CD2-CE1 3.7Å; L113-Y119 HydrophobicContact CD2-CE2 4.03Å; L113-Y119 HydrophobicContact CD2-CG 4.26Å; L113-Y119 HydrophobicContact CG-CE2 4.34Å; K114-Y119 PolarHBondContact N-OH 3.02Å; T117-Y119 HydrophobicContact CG2-CD2 4.42Å; T117-Y119 HydrophobicContact CG2-CE2 3.82Å; T117-Y119 VanDerWaalsContact O-CD2 3.26Å; T117-Y119 WeakPolarHBondContact O-CD2 3.23Å; Y119-S137 CarbonylContact O-C 3.58Å; Y119-S137 WeakPolarHBondContact O-CA 3.45Å; Y119-S137 PolarHBondContact O-OG 2.8Å; Y119-F138 PolarHBondContact N-O 2.85Å; Y119-F138 PolarHBondContact O-N 2.79Å |
| 120 | I | 95.6 | Very high | 90.4 | Very high | 41 Ų | 41 | 48 Ų | 48 | 21% | 0.21 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 127.1 | 168.6 | -59.2 | 176 | 0 | 0 | 0 | 107.9 | Y69 S70 R72 L135 S136 | Y69-I120 CarbonylContact C-O 3.56Å; Y69-I120 WeakPolarHBondContact CA-O 3.41Å; S70-I120 PolarHBondContact N-O 3.05Å; S70-I120 PolarHBondContact O-N 3.09Å; R72-I120 HydrophobicContact CB-CD1 4.18Å; R72-I120 HydrophobicContact CB-CG1 4.19Å; R72-I120 HydrophobicContact CG-CD1 4.13Å; I120-L135 HydrophobicContact CG2-CD1 3.55Å; I120-L135 HydrophobicContact CG2-CG 4.22Å; I120-S136 CarbonylContact C-O 3.6Å; I120-S136 WeakPolarHBondContact CA-O 3.25Å |
| 121 | L | 96.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.1 | 174.5 | 176.9 | 73.1 | 0 | 0 | 0 | 109.8 | V39 C41 C52 L110 I123 L135 S136 F138 | V39-L121 HydrophobicContact CG1-CD2 4.09Å; C41-L121 WeakPolarHBondContact SG-CD2 3.38Å; C52-L121 HydrophobicContact CB-CD2 4.19Å; C52-L121 VanDerWaalsContact SG-CD2 3.5Å; L110-L121 HydrophobicContact CD1-CD1 4.33Å; L110-L121 HydrophobicContact CD2-CD1 4.45Å; L121-I123 HydrophobicContact CD1-CD1 4.42Å; L121-I123 HydrophobicContact CD1-CG1 4.39Å; L121-I123 HydrophobicContact CD2-CD1 3.79Å; L121-I123 HydrophobicContact CD2-CG1 4.5Å; L121-I123 HydrophobicContact CG-CD1 4.1Å; L121-I123 HydrophobicContact CG-CG1 4.27Å; L121-L135 WeakPolarHBondContact O-CA 3.16Å; L121-S136 PolarHBondContact N-O 3.32Å; L121-S136 PolarHBondContact O-N 2.91Å; L121-F138 HydrophobicContact CB-CE1 3.93Å; L121-F138 HydrophobicContact CD2-CE1 4.3Å |
| 122 | N | 95.6 | Very high | 90.4 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.4 | 175.9 | -177.2 | 12.2 | 0 | 0 | 0 | 110.1 | A67 T68 H134 L135 | A67-N122 WeakPolarHBondContact CA-O 2.91Å; T68-N122 PolarHBondContact N-O 2.95Å; T68-N122 PolarHBondContact O-N 2.81Å; N122-H134 WeakPolarHBondContact CA-O 3.4Å; N122-L135 HydrophobicContact CB-CD1 3.76Å |
| 123 | I | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 110.7 | 175.5 | -68.2 | 158.9 | 0 | 0 | 0 | 108.6 | P37 V39 W54 Y65 I66 A67 L121 F133 H134 | P37-I123 HydrophobicContact CB-CG2 4.35Å; P37-I123 HydrophobicContact CG-CG2 4.27Å; V39-I123 HydrophobicContact CB-CD1 4.07Å; V39-I123 HydrophobicContact CG1-CD1 3.45Å; V39-I123 VanDerWaalsContact CG1-CD1 3.45Å; V39-I123 HydrophobicContact CG2-CB 4.3Å; V39-I123 HydrophobicContact CG2-CD1 3.42Å; V39-I123 VanDerWaalsContact CG2-CD1 3.42Å; V39-I123 HydrophobicContact CG2-CG1 4.45Å; W54-I123 HydrophobicContact CD2-CD1 4.49Å; W54-I123 HydrophobicContact CD2-CG2 4.24Å; W54-I123 HydrophobicContact CE3-CD1 3.68Å; W54-I123 HydrophobicContact CE3-CG2 4.42Å; W54-I123 HydrophobicContact CH2-CD1 4.11Å; W54-I123 HydrophobicContact CH2-CG1 4.29Å; W54-I123 HydrophobicContact CH2-CG2 4.17Å; W54-I123 HydrophobicContact CZ2-CG2 3.98Å; W54-I123 HydrophobicContact CZ3-CD1 3.46Å; W54-I123 VanDerWaalsContact CZ3-CD1 3.46Å; W54-I123 HydrophobicContact CZ3-CG1 4.12Å; W54-I123 HydrophobicContact CZ3-CG2 4.39Å; Y65-I123 HydrophobicContact CD1-CG2 4.12Å; I66-I123 WeakPolarHBondContact O-CA 3.44Å; A67-I123 HydrophobicContact CB-CG1 3.94Å; L121-I123 HydrophobicContact CD1-CD1 4.42Å; L121-I123 HydrophobicContact CD1-CG1 4.39Å; L121-I123 HydrophobicContact CD2-CD1 3.79Å; L121-I123 HydrophobicContact CD2-CG1 4.5Å; L121-I123 HydrophobicContact CG-CD1 4.1Å; L121-I123 HydrophobicContact CG-CG1 4.27Å; I123-F133 CarbonylContact O-C 3.59Å; I123-F133 VanDerWaalsContact O-CA 3.23Å; I123-F133 WeakPolarHBondContact O-CA 3.41Å; I123-H134 PolarHBondContact N-O 2.82Å; I123-H134 PolarHBondContact O-N 3.1Å |
| 124 | T | 92.9 | Very high | 90.9 | Very high | 29 Ų | 29 | 51 Ų | 51 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.6 | -179.7 | -54.6 | 0 | 0 | 0 | 0 | 109.8 | Y65 I66 V126 S132 F133 | Y65-T124 WeakPolarHBondContact CA-O 3.05Å; I66-T124 PolarHBondContact N-O 3.37Å; I66-T124 PolarHBondContact O-N 2.74Å; T124-V126 HydrophobicContact CG2-CG2 4.04Å; T124-S132 CarbonylContact C-O 3.56Å; T124-S132 WeakPolarHBondContact CA-O 3.32Å; T124-F133 HydrophobicContact CG2-CB 4.47Å |
| 125 | A | 90.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | P34 P37 T63 Y65 S131 S132 | P34-A125 HydrophobicContact CB-CB 4.43Å; P34-A125 HydrophobicContact CG-CB 4.25Å; P37-A125 HydrophobicContact CG-CB 4.17Å; T63-A125 HydrophobicContact CG2-CB 3.92Å; Y65-A125 HydrophobicContact CD1-CB 4.06Å; Y65-A125 HydrophobicContact CE1-CB 3.6Å; A125-S131 CarbonylContact O-C 3.56Å; A125-S131 WeakPolarHBondContact O-CA 3.46Å; A125-S131 WeakPolarHBondContact O-CB 3.26Å; A125-S132 PolarHBondContact N-O 2.83Å; A125-S132 PolarHBondContact O-N 2.81Å |
| 126 | V | 89.2 | Confident | 91.2 | Very high | 50 Ų | 50 | 49 Ų | 49 | 30% | 0.303 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.2 | -178.7 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | Q64 I66 T124 | Q64-V126 HydrophobicContact CB-CB 4.45Å; Q64-V126 PolarHBondContact N-O 3.37Å; Q64-V126 PolarHBondContact O-N 3.21Å; I66-V126 HydrophobicContact CD1-CG2 4.12Å; T124-V126 HydrophobicContact CG2-CG2 4.04Å |
| 127 | H | 84.2 | Confident | 91.3 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 165.8 | 178.9 | -71.3 | 59.4 | 0 | 0 | 0 | 110.1 | P34 T63 G129 G130 | P34-H127 WeakPolarHBondContact CB-CE1 3.3Å; P34-H127 VanDerWaalsContact CB-ND1 3.33Å; P34-H127 WeakPolarHBondContact CB-ND1 3.43Å; P34-H127 HydrophobicContact CG-CB 4.44Å; P34-H127 VanDerWaalsContact CG-ND1 3.29Å; P34-H127 WeakPolarHBondContact CG-ND1 3.35Å; T63-H127 WeakPolarHBondContact CG2-CE1 2.95Å; T63-H127 PolarHBondContact OG1-CE1 3.17Å; T63-H127 PolarHBondContact OG1-NE2 3.01Å; H127-G129 PolarHBondContact O-N 3.02Å; H127-G130 CarbonylContact C-O 3.6Å; H127-G130 WeakPolarHBondContact CA-O 3.22Å; H127-G130 PolarHBondContact N-O 2.8Å; H127-G130 PolarHBondContact O-N 3.32Å |
| 128 | S | 81.5 | Confident | 91.3 | Very high | 106 Ų | 106 | 43.6 Ų | 43.6 | 74% | 0.741 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -29.3 | 176.7 | 53 | 0 | 0 | 0 | 0 | 113.8 | ||
| 129 | G | 77.1 | Confident | 91.3 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 46% | 0.464 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -5.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | H127 | H127-G129 PolarHBondContact O-N 3.02Š|
| 130 | G | 84.3 | Confident | 91.3 | Very high | 33 Ų | 33 | 42.9 Ų | 42.9 | 34% | 0.34 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.3 | -168.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H127 | H127-G130 CarbonylContact C-O 3.6Å; H127-G130 WeakPolarHBondContact CA-O 3.22Å; H127-G130 PolarHBondContact N-O 2.8Å; H127-G130 PolarHBondContact O-N 3.32Å |
| 131 | S | 88.4 | Confident | 91.2 | Very high | 78 Ų | 78 | 41.5 Ų | 41.5 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 148.2 | 179 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | A125 | A125-S131 CarbonylContact O-C 3.56Å; A125-S131 WeakPolarHBondContact O-CA 3.46Å; A125-S131 WeakPolarHBondContact O-CB 3.26Å |
| 132 | S | 89.6 | Confident | 91.2 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 160.5 | 166.1 | 73.5 | 0 | 0 | 0 | 0 | 109.5 | P34 S35 T124 A125 | P34-S132 WeakPolarHBondContact CG-OG 3.49Å; P34-S132 WeakPolarHBondContact O-CB 3.3Å; P34-S132 PolarHBondContact O-OG 3.11Å; S35-S132 PolarHBondContact O-OG 3.08Å; T124-S132 CarbonylContact C-O 3.56Å; T124-S132 WeakPolarHBondContact CA-O 3.32Å; A125-S132 PolarHBondContact N-O 2.83Å; A125-S132 PolarHBondContact O-N 2.81Å |
| 133 | F | 91.5 | Very high | 91.2 | Very high | 122 Ų | 122 | 44.8 Ų | 44.8 | 54% | 0.535 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 152.3 | 178.9 | 71.3 | -84.3 | 0 | 0 | 0 | 112.2 | I123 T124 L135 | I123-F133 CarbonylContact O-C 3.59Å; I123-F133 VanDerWaalsContact O-CA 3.23Å; I123-F133 WeakPolarHBondContact O-CA 3.41Å; T124-F133 HydrophobicContact CG2-CB 4.47Å; F133-L135 HydrophobicContact CD2-CB 4.08Å; F133-L135 HydrophobicContact CE2-CB 3.99Å |
| 134 | H | 94.1 | Very high | 91.2 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.4 | 168.1 | 178.3 | 90.7 | 0 | 0 | 0 | 108.4 | P37 V39 N122 I123 S136 | P37-H134 HydrophobicContact CB-CB 4.44Å; P37-H134 PolarHBondContact O-ND1 3.26Å; V39-H134 HydrophobicContact CG2-CB 3.86Å; V39-H134 VanDerWaalsContact CG2-CD2 3.46Å; V39-H134 WeakPolarHBondContact CG2-CD2 3.1Å; N122-H134 WeakPolarHBondContact CA-O 3.4Å; I123-H134 PolarHBondContact N-O 2.82Å; I123-H134 PolarHBondContact O-N 3.1Å; H134-S136 WeakPolarHBondContact NE2-CB 3.43Å; H134-S136 PolarHBondContact NE2-OG 2.9Å |
| 135 | L | 95.4 | Very high | 91.4 | Very high | 101 Ų | 101 | 45 Ų | 45 | 53% | 0.529 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.3 | 175.5 | -168.9 | 72.7 | 0 | 0 | 0 | 108.9 | I120 L121 N122 F133 | I120-L135 HydrophobicContact CG2-CD1 3.55Å; I120-L135 HydrophobicContact CG2-CG 4.22Å; L121-L135 WeakPolarHBondContact O-CA 3.16Å; N122-L135 HydrophobicContact CB-CD1 3.76Å; F133-L135 HydrophobicContact CD2-CB 4.08Å; F133-L135 HydrophobicContact CE2-CB 3.99Å |
| 136 | S | 95.4 | Very high | 91.6 | Very high | 32 Ų | 32 | 45 Ų | 45 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 161.5 | 176.7 | 56 | 0 | 0 | 0 | 0 | 111.3 | I120 L121 H134 | I120-S136 CarbonylContact C-O 3.6Å; I120-S136 WeakPolarHBondContact CA-O 3.25Å; L121-S136 PolarHBondContact N-O 3.32Å; L121-S136 PolarHBondContact O-N 2.91Å; H134-S136 WeakPolarHBondContact NE2-CB 3.43Å; H134-S136 PolarHBondContact NE2-OG 2.9Å |
| 137 | S | 95.1 | Very high | 91.9 | Very high | 46 Ų | 46 | 45.2 Ų | 45.2 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142 | 173.7 | -164.3 | 0 | 0 | 0 | 0 | 109.7 | R72 E118 Y119 | R72-S137 VanDerWaalsContact NH2-CB 3.25Å; R72-S137 PolarHBondContact NH2-OG 2.9Å; E118-S137 VanDerWaalsContact CD-OG 3.28Å; E118-S137 WeakPolarHBondContact CG-OG 2.95Å; E118-S137 WeakPolarHBondContact OE1-CB 3.33Å; E118-S137 PolarHBondContact OE1-OG 3.21Å; Y119-S137 CarbonylContact O-C 3.58Å; Y119-S137 WeakPolarHBondContact O-CA 3.45Å; Y119-S137 PolarHBondContact O-OG 2.8Å |
| 138 | F | 95.4 | Very high | 92.5 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 156.2 | 177.8 | 64.6 | -91.1 | 0 | 0 | 0 | 111.5 | L110 L113 Y119 L121 I143 | L110-F138 HydrophobicContact CD1-CZ 3.86Å; L113-F138 HydrophobicContact CD1-CE2 3.78Å; L113-F138 HydrophobicContact CD1-CZ 4.09Å; Y119-F138 PolarHBondContact N-O 2.85Å; Y119-F138 PolarHBondContact O-N 2.79Å; L121-F138 HydrophobicContact CB-CE1 3.93Å; L121-F138 HydrophobicContact CD2-CE1 4.3Å; F138-I143 HydrophobicContact CB-CG2 3.96Å; F138-I143 HydrophobicContact CD2-CD1 3.55Å; F138-I143 HydrophobicContact CD2-CG1 4.08Å; F138-I143 HydrophobicContact CD2-CG2 4.17Å; F138-I143 HydrophobicContact CE2-CD1 3.5Å; F138-I143 VanDerWaalsContact CE2-CD1 3.5Å; F138-I143 HydrophobicContact CE2-CG1 4.45Å; F138-I143 HydrophobicContact CG-CD1 4.43Å; F138-I143 HydrophobicContact CG-CG2 4.2Å; F138-I143 HydrophobicContact CZ-CD1 4.33Å |
| 139 | M | 95.3 | Very high | 93.1 | Very high | 64 Ų | 64 | 41 Ų | 41 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | trans | -103 | 157.8 | 159 | -58.5 | -178.7 | -69 | 0 | 0 | 109.6 | E118 E141 D142 | E118-M139 HydrophobicContact CB-CG 4.18Å; E118-M139 HydrophobicContact CG-CG 4.37Å; M139-E141 VanDerWaalsContact CB-OE2 3.31Å; M139-E141 WeakPolarHBondContact CB-OE2 3.23Å; M139-E141 PolarHBondContact O-N 2.79Å; M139-D142 PolarHBondContact N-OD2 3.41Å; M139-D142 PolarHBondContact O-N 3.36Å; M139-D142 VanDerWaalsContact O-N 3.11Å | ||
| 140 | L | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -56.4 | -37.8 | 178.6 | -86.6 | 178.7 | 0 | 0 | 0 | 111.9 | C43 Y46 P47 T50 L113 L115 D142 I143 V144 | C43-L140 HydrophobicContact CB-CD2 4.47Å; Y46-L140 HydrophobicContact CE2-CB 3.97Å; P47-L140 HydrophobicContact CB-CD1 3.99Å; T50-L140 WeakPolarHBondContact OG1-CD2 3.44Å; L113-L140 HydrophobicContact CB-CD1 3.7Å; L113-L140 HydrophobicContact CB-CD2 3.95Å; L113-L140 HydrophobicContact CB-CG 3.79Å; L113-L140 HydrophobicContact CD1-CD2 3.87Å; L113-L140 HydrophobicContact CD1-CG 4.31Å; L113-L140 HydrophobicContact CG-CD2 4.46Å; L113-L140 WeakPolarHBondContact O-CD1 3.44Å; L115-L140 HydrophobicContact CD2-CB 4.44Å; L115-L140 HydrophobicContact CD2-CD1 3.87Å; L140-D142 PolarHBondContact O-N 3.24Å; L140-I143 HydrophobicContact CD2-CD1 4.46Å; L140-I143 WeakPolarHBondContact O-CG1 3.42Å; L140-I143 PolarHBondContact O-N 2.05Å; L140-V144 WeakPolarHBondContact O-CG2 3.41Å; L140-V144 PolarHBondContact O-N 2.78Å |
| 141 | E | 94.8 | Very high | 94.7 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -60.2 | -30.7 | 179.9 | -65.9 | 74.7 | -169.3 | 0 | 0 | 112.7 | Y46 L115 L116 M139 L230 G231 | Y46-E141 PolarHBondContact OH-OE1 2.79Å; L115-E141 WeakPolarHBondContact CA-OE1 3.41Å; L116-E141 HydrophobicContact CD2-CG 4.23Å; L116-E141 PolarHBondContact N-OE1 3.22Å; L116-E141 PolarHBondContact N-OE2 2.75Å; M139-E141 VanDerWaalsContact CB-OE2 3.31Å; M139-E141 WeakPolarHBondContact CB-OE2 3.23Å; M139-E141 PolarHBondContact O-N 2.79Å; E141-L230 HydrophobicContact CB-CD1 4.18Å; E141-L230 HydrophobicContact CB-CD2 4.26Å; E141-L230 HydrophobicContact CG-CD1 4Å; E141-L230 WeakPolarHBondContact O-CB 3.39Å; E141-G231 PolarHBondContact O-N 3Å |
| 142 | D | 94.9 | Very high | 95.1 | Very high | 91 Ų | 91 | 41.8 Ų | 41.8 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -80.4 | -25.7 | -178.1 | -59.2 | -42.2 | 0 | 0 | 0 | 112 | M139 L140 G231 | M139-D142 PolarHBondContact N-OD2 3.41Å; M139-D142 PolarHBondContact O-N 3.36Å; M139-D142 VanDerWaalsContact O-N 3.11Å; L140-D142 PolarHBondContact O-N 3.24Å; D142-G231 WeakPolarHBondContact O-CA 3.23Å |
| 143 | I | 95.7 | Very high | 95.5 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 11% | 0.113 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -108.4 | 7.7 | -172.7 | 65.9 | 163 | 0 | 0 | 0 | 113.1 | C41 W42 C43 T50 F138 L140 K145 | C41-I143 HydrophobicContact CB-CD1 4.33Å; W42-I143 CarbonylContact C-O 3.51Å; W42-I143 VanDerWaalsContact CA-O 3.24Å; W42-I143 WeakPolarHBondContact CA-O 3.47Å; C43-I143 HydrophobicContact CB-CG1 4.37Å; C43-I143 PolarHBondContact N-O 3.13Å; T50-I143 HydrophobicContact CG2-CD1 3.52Å; F138-I143 HydrophobicContact CB-CG2 3.96Å; F138-I143 HydrophobicContact CD2-CD1 3.55Å; F138-I143 HydrophobicContact CD2-CG1 4.08Å; F138-I143 HydrophobicContact CD2-CG2 4.17Å; F138-I143 HydrophobicContact CE2-CD1 3.5Å; F138-I143 VanDerWaalsContact CE2-CD1 3.5Å; F138-I143 HydrophobicContact CE2-CG1 4.45Å; F138-I143 HydrophobicContact CG-CD1 4.43Å; F138-I143 HydrophobicContact CG-CG2 4.2Å; F138-I143 HydrophobicContact CZ-CD1 4.33Å; L140-I143 HydrophobicContact CD2-CD1 4.46Å; L140-I143 WeakPolarHBondContact O-CG1 3.42Å; L140-I143 PolarHBondContact O-N 2.05Å; I143-K145 PolarHBondContact O-N 3.17Å |
| 144 | V | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -59.3 | 122.7 | 174.4 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | Y46 L140 W172 E226 L230 G231 Q232 | Y46-V144 HydrophobicContact CD2-CG1 4.46Å; Y46-V144 HydrophobicContact CD2-CG2 3.42Å; Y46-V144 VanDerWaalsContact CD2-CG2 3.42Å; Y46-V144 HydrophobicContact CE2-CG2 3.57Å; Y46-V144 HydrophobicContact CG-CG1 4.43Å; Y46-V144 HydrophobicContact CG-CG2 4.1Å; L140-V144 WeakPolarHBondContact O-CG2 3.41Å; L140-V144 PolarHBondContact O-N 2.78Å; V144-W172 HydrophobicContact CG1-CH2 3.61Å; V144-W172 HydrophobicContact CG1-CZ3 4.06Å; V144-E226 HydrophobicContact CG1-CB 3.99Å; V144-L230 HydrophobicContact CG2-CB 4.36Å; V144-G231 CarbonylContact O-C 3.56Å; V144-G231 VanDerWaalsContact O-CA 3.31Å; V144-G231 WeakPolarHBondContact O-CA 3.47Å; V144-Q232 PolarHBondContact O-N 2.96Å |
| 145 | K | 95.9 | Very high | 95.8 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 14% | 0.143 | 23% | 0.234 | C | C | . | . | trans | -150.2 | 93.6 | 175.7 | -177.1 | -176.4 | 167.3 | 79.8 | 0 | 107.5 | W42 C43 S44 I143 Q232 C233 D235 | W42-K145 HydrophobicContact CB-CB 4.1Å; W42-K145 HydrophobicContact CB-CD 4.48Å; C43-K145 CarbonylContact O-C 3.49Å; C43-K145 PolarHBondContact O-N 2.94Å; S44-K145 VanDerWaalsContact CA-O 3.29Å; S44-K145 WeakPolarHBondContact CA-O 3.27Å; I143-K145 PolarHBondContact O-N 3.17Å; K145-Q232 HydrophobicContact CG-CB 4.4Å; K145-C233 PolarHBondContact NZ-O 3.24Å; K145-D235 IonicContact NZ-OD1 2.75Å; K145-D235 PolarHBondContact NZ-OD1 3.19Å | ||
| 146 | P | 94.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 161.2 | 178.4 | -19.4 | 30.7 | 0 | 0 | 0 | 111.5 | W172 L180 A224 S234 | P146-W172 HydrophobicContact CB-CE3 3.81Å; P146-W172 HydrophobicContact CB-CZ3 3.95Å; P146-W172 HydrophobicContact CG-CE3 4.01Å; P146-W172 HydrophobicContact CG-CH2 4.12Å; P146-W172 HydrophobicContact CG-CZ3 3.69Å; P146-L180 HydrophobicContact CB-CD2 4.32Å; P146-L180 HydrophobicContact CG-CD2 3.79Å; P146-A224 HydrophobicContact CB-CB 4.15Å; P146-A224 HydrophobicContact CG-CB 4.48Å; P146-S234 WeakPolarHBondContact O-CA 3.09Å; P146-S234 WeakPolarHBondContact O-CB 3.33Å |
| 147 | D | 95.3 | Very high | 95.2 | Very high | 54 Ų | 54 | 45 Ų | 45 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -69.9 | 161.6 | 165.5 | -68.1 | -45 | 0 | 0 | 0 | 111 | P169 T171 S234 | D147-P169 HydrophobicContact CB-CB 3.96Å; D147-P169 WeakPolarHBondContact O-CB 3.27Å; D147-P169 WeakPolarHBondContact O-CG 3.33Å; D147-T171 VanDerWaalsContact OD2-CB 3.25Å; D147-T171 WeakPolarHBondContact OD2-CB 3.48Å; D147-T171 VanDerWaalsContact OD2-CG2 3.29Å; D147-T171 WeakPolarHBondContact OD2-CG2 3.3Å; D147-T171 PolarHBondContact OD2-OG1 2.8Å; D147-S234 VanDerWaalsContact O-CB 3.3Å; D147-S234 WeakPolarHBondContact O-CB 3.44Å |
| 148 | P | 96.8 | Very high | 94.5 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 27% | 0.266 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -62.5 | 147 | 178.5 | -23.8 | 35 | 0 | 0 | 0 | 113.1 | D235 | P148-D235 WeakPolarHBondContact CB-O 3.3Å; P148-D235 HydrophobicContact CG-CB 4.01Å; P148-D235 WeakPolarHBondContact CG-O 3.13Å |
| 149 | P | 95.6 | Very high | 93.9 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -55.1 | 147.3 | 167.7 | -23.6 | 32.9 | 0 | 0 | 0 | 112.2 | W166 Y182 V222 A224 | P149-W166 HydrophobicContact CB-CB 4.32Å; P149-W166 HydrophobicContact CB-CG 4.35Å; P149-Y182 HydrophobicContact CG-CD1 3.97Å; P149-Y182 HydrophobicContact CG-CE1 4.01Å; P149-V222 HydrophobicContact CB-CB 4.45Å; P149-V222 HydrophobicContact CB-CG1 4.5Å; P149-V222 WeakPolarHBondContact CD-O 3.17Å; P149-V222 HydrophobicContact CG-CB 4.18Å; P149-V222 HydrophobicContact CG-CG1 3.98Å; P149-A224 HydrophobicContact CG-CB 4.01Å |
| 150 | V | 96.6 | Very high | 93.6 | Very high | 51 Ų | 51 | 47.7 Ų | 47.7 | 31% | 0.309 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 171.8 | 179.5 | -57 | 0 | 0 | 0 | 0 | 111.1 | V152 S167 P170 | V150-V152 PolarHBondContact O-N 3.37Å; V150-V152 VanDerWaalsContact O-N 3.13Å; V150-S167 PolarHBondContact N-O 2Å; V150-S167 VanDerWaalsContact N-O 3.11Å; V150-S167 PolarHBondContact O-N 2.9Å; V150-P170 HydrophobicContact CG1-CG 4.41Å; V150-P170 HydrophobicContact CG2-CG 4.11Å |
| 151 | D | 96.6 | Very high | 93.5 | Very high | 100 Ų | 100 | 50.4 Ų | 50.4 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.8 | 35.5 | 177.2 | -60 | -43.8 | 0 | 0 | 0 | 115 | R153 | D151-R153 WeakPolarHBondContact O-CG 3.45Å; D151-R153 PolarHBondContact O-N 2.91Å |
| 152 | V | 97.5 | Very high | 93.5 | Very high | 23 Ų | 23 | 49.9 Ų | 49.9 | 14% | 0.139 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 124.3 | 178.8 | -174.1 | 0 | 0 | 0 | 0 | 110 | V150 V164 E165 W166 V222 V240 | V150-V152 PolarHBondContact O-N 3.37Å; V150-V152 VanDerWaalsContact O-N 3.13Å; V152-V164 HydrophobicContact CG1-CG1 4.45Å; V152-E165 CarbonylContact C-O 3.56Å; V152-E165 VanDerWaalsContact CA-O 3.3Å; V152-E165 WeakPolarHBondContact CA-O 3.45Å; V152-W166 HydrophobicContact CG2-CB 3.97Å; V152-V222 HydrophobicContact CG1-CG2 3.9Å; V152-V222 HydrophobicContact CG2-CB 4.48Å; V152-V222 HydrophobicContact CG2-CG2 4.24Å; V152-V240 HydrophobicContact CB-CG2 4.05Å; V152-V240 HydrophobicContact CG1-CG2 3.87Å; V152-V240 WeakPolarHBondContact O-CG2 3.46Å |
| 153 | R | 97.4 | Very high | 93.5 | Very high | 168 Ų | 168 | 47.2 Ų | 47.2 | 63% | 0.634 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 145 | -179.2 | -66.4 | 171.1 | -172.9 | -147.9 | 0.4 | 109.3 | D151 V164 E165 | D151-R153 WeakPolarHBondContact O-CG 3.45Å; D151-R153 PolarHBondContact O-N 2.91Å; R153-V164 CarbonylContact O-C 3.52Å; R153-V164 WeakPolarHBondContact O-CA 3.26Å; R153-E165 PolarHBondContact N-O 3.43Å; R153-E165 PolarHBondContact O-N 2.8Å |
| 154 | V | 97.1 | Very high | 93.5 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 120.3 | 174.8 | -168.5 | 0 | 0 | 0 | 0 | 108.7 | V162 L163 V164 F220 V240 I242 | V154-V162 HydrophobicContact CG1-CB 3.88Å; V154-V162 HydrophobicContact CG1-CG1 4.38Å; V154-V162 HydrophobicContact CG1-CG2 4.08Å; V154-L163 WeakPolarHBondContact CA-O 3.36Å; V154-V164 HydrophobicContact CG1-CG2 4.18Å; V154-V164 HydrophobicContact CG2-CG1 4.29Å; V154-V164 HydrophobicContact CG2-CG2 4.26Å; V154-F220 HydrophobicContact CB-CD2 4.43Å; V154-F220 HydrophobicContact CG1-CD2 4.1Å; V154-F220 HydrophobicContact CG1-CE2 4.05Å; V154-F220 HydrophobicContact CG1-CG 4.47Å; V154-F220 HydrophobicContact CG1-CZ 4.39Å; V154-F220 HydrophobicContact CG2-CB 3.9Å; V154-F220 HydrophobicContact CG2-CD2 3.91Å; V154-F220 HydrophobicContact CG2-CG 3.93Å; V154-V240 HydrophobicContact CB-CG1 4.15Å; V154-V240 HydrophobicContact CG2-CB 4.01Å; V154-V240 HydrophobicContact CG2-CG1 3.77Å; V154-I242 HydrophobicContact CB-CD1 4.11Å; V154-I242 HydrophobicContact CB-CG1 4.34Å; V154-I242 HydrophobicContact CB-CG2 4.21Å; V154-I242 HydrophobicContact CG1-CD1 3.37Å; V154-I242 HydrophobicContact CG1-CG1 3.93Å |
| 155 | S | 94.9 | Very high | 93.5 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 33% | 0.329 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.4 | 177.7 | 60.3 | 0 | 0 | 0 | 0 | 110.4 | L157 V162 L163 | S155-L157 PolarHBondContact O-N 3.05Å; S155-V162 CarbonylContact O-C 3.54Å; S155-V162 VanDerWaalsContact O-CA 3.3Å; S155-V162 WeakPolarHBondContact O-CA 3.4Å; S155-L163 PolarHBondContact N-O 3.32Å; S155-L163 PolarHBondContact O-N 3.45Å |
| 156 | P | 91.6 | Very high | 93.5 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 129.1 | 174.9 | 32.7 | -34.7 | 0 | 0 | 0 | 109.5 | P245 L249 | P156-P245 HydrophobicContact CB-CG 3.71Å; P156-P245 HydrophobicContact CG-CG 4.06Å; P156-L249 HydrophobicContact CB-CD1 3.72Å; P156-L249 HydrophobicContact CG-CD1 3.84Å; P156-L249 VanDerWaalsContact O-CD1 3.3Å; P156-L249 WeakPolarHBondContact O-CD1 3.24Å |
| 157 | L | 88.1 | Confident | 93.5 | Very high | 99 Ų | 99 | 50.3 Ų | 50.3 | 52% | 0.518 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -34 | -179.6 | -172.4 | 67.6 | 0 | 0 | 0 | 111.5 | S155 H161 E208 | S155-L157 PolarHBondContact O-N 3.05Å; L157-H161 HydrophobicContact CB-CB 4.35Å; L157-H161 PolarHBondContact N-O 3.18Å; L157-E208 HydrophobicContact CD2-CG 4.01Å |
| 158 | A | 80.6 | Confident | 93.4 | Very high | 37 Ų | 37 | 49.9 Ų | 49.9 | 31% | 0.306 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 177.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | K160 H161 | A158-K160 PolarHBondContact O-N 3.21Å; A158-H161 HydrophobicContact CB-CB 4.11Å; A158-H161 PolarHBondContact N-O 2.99Å; A158-H161 PolarHBondContact O-N 3.31Å; A158-H161 VanDerWaalsContact O-N 3.15Å; A158-H161 VanDerWaalsContact O-O 3.1Å |
| 159 | T | 81.9 | Confident | 93.3 | Very high | 32 Ų | 32 | 48 Ų | 48 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -18.2 | -176.5 | -46.1 | 0 | 0 | 0 | 0 | 114.7 | P214 I244 T247 | T159-P214 HydrophobicContact CG2-CB 4.38Å; T159-P214 HydrophobicContact CG2-CG 4.08Å; T159-P214 WeakPolarHBondContact O-CG 3.41Å; T159-I244 VanDerWaalsContact O-CG2 3.28Å; T159-I244 WeakPolarHBondContact O-CG2 3.44Å; T159-T247 PolarHBondContact OG1-O 3.47Å |
| 160 | K | 89.4 | Confident | 93.2 | Very high | 113 Ų | 113 | 52.5 Ų | 52.5 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | 6.8 | 179.1 | -61.4 | -172.4 | -179.9 | -180 | 0 | 113.9 | A158 G211 L212 P214 | A158-K160 PolarHBondContact O-N 3.21Å; K160-G211 PolarHBondContact O-N 3.24Å; K160-L212 WeakPolarHBondContact CB-O 3.24Å; K160-L212 WeakPolarHBondContact CG-O 3.4Å; K160-L212 PolarHBondContact O-N 3.12Å; K160-L212 VanDerWaalsContact O-N 3.07Å; K160-P214 HydrophobicContact CG-CG 3.96Å |
| 161 | H | 91.6 | Very high | 92.9 | Very high | 57 Ų | 57 | 53 Ų | 53 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.5 | -170.6 | -59.4 | -170 | 0 | 0 | 0 | 109.6 | L157 A158 E208 L209 | L157-H161 HydrophobicContact CB-CB 4.35Å; L157-H161 PolarHBondContact N-O 3.18Å; A158-H161 HydrophobicContact CB-CB 4.11Å; A158-H161 PolarHBondContact N-O 2.99Å; A158-H161 PolarHBondContact O-N 3.31Å; A158-H161 VanDerWaalsContact O-N 3.15Å; A158-H161 VanDerWaalsContact O-O 3.1Å; H161-E208 IonicContact CE1-OE1 3.82Å; H161-E208 IonicContact CG-OE1 3.12Å; H161-E208 IonicContact ND1-OE1 2.81Å; H161-E208 PolarHBondContact ND1-OE1 2.97Å; H161-L209 VanDerWaalsContact CA-O 3.27Å; H161-L209 WeakPolarHBondContact CA-O 3.11Å |
| 162 | V | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 147 | 174.5 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | V154 S155 V164 E208 L209 L212 F220 I242 I244 | V154-V162 HydrophobicContact CG1-CB 3.88Å; V154-V162 HydrophobicContact CG1-CG1 4.38Å; V154-V162 HydrophobicContact CG1-CG2 4.08Å; S155-V162 CarbonylContact O-C 3.54Å; S155-V162 VanDerWaalsContact O-CA 3.3Å; S155-V162 WeakPolarHBondContact O-CA 3.4Å; V162-V164 HydrophobicContact CG2-CG2 4.29Å; V162-E208 CarbonylContact O-C 3.56Å; V162-E208 WeakPolarHBondContact O-CA 3.29Å; V162-L209 HydrophobicContact CG2-CB 3.81Å; V162-L209 HydrophobicContact CG2-CD1 4.38Å; V162-L209 HydrophobicContact CG2-CG 4.42Å; V162-L209 PolarHBondContact N-O 2.99Å; V162-L209 PolarHBondContact O-N 2.94Å; V162-L212 HydrophobicContact CB-CD1 4.14Å; V162-L212 HydrophobicContact CG1-CD1 3.61Å; V162-L212 HydrophobicContact CG2-CD1 3.44Å; V162-L212 VanDerWaalsContact CG2-CD1 3.44Å; V162-F220 HydrophobicContact CG2-CE1 4.05Å; V162-F220 HydrophobicContact CG2-CZ 4.05Å; V162-I242 HydrophobicContact CB-CD1 4.4Å; V162-I242 HydrophobicContact CG1-CD1 3.65Å; V162-I244 HydrophobicContact CG1-CD1 3.5Å |
| 163 | L | 94.9 | Very high | 92.3 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119 | 166.9 | -177.4 | 66.9 | 0 | 0 | 0 | 107.7 | V154 S155 E165 K206 | V154-L163 WeakPolarHBondContact CA-O 3.36Å; S155-L163 PolarHBondContact N-O 3.32Å; S155-L163 PolarHBondContact O-N 3.45Å; L163-E165 HydrophobicContact CD1-CG 4.46Å; L163-E165 HydrophobicContact CD2-CG 3.93Å; L163-E165 HydrophobicContact CG-CG 3.76Å; L163-K206 HydrophobicContact CD1-CB 4.19Å |
| 164 | V | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.1 | 170.6 | -175 | 0 | 0 | 0 | 0 | 107 | V152 R153 V154 V162 W166 I184 K206 A207 L209 F220 V222 | V152-V164 HydrophobicContact CG1-CG1 4.45Å; R153-V164 CarbonylContact O-C 3.52Å; R153-V164 WeakPolarHBondContact O-CA 3.26Å; V154-V164 HydrophobicContact CG1-CG2 4.18Å; V154-V164 HydrophobicContact CG2-CG1 4.29Å; V154-V164 HydrophobicContact CG2-CG2 4.26Å; V162-V164 HydrophobicContact CG2-CG2 4.29Å; V164-W166 HydrophobicContact CB-CZ3 4.31Å; V164-W166 HydrophobicContact CG1-CE3 4Å; V164-W166 HydrophobicContact CG1-CZ3 4.07Å; V164-W166 WeakPolarHBondContact O-CZ3 3.05Å; V164-I184 HydrophobicContact CB-CD1 4.02Å; V164-I184 HydrophobicContact CG1-CD1 4.05Å; V164-I184 HydrophobicContact CG2-CD1 4.31Å; V164-K206 CarbonylContact O-C 3.56Å; V164-K206 WeakPolarHBondContact O-CA 3.06Å; V164-A207 PolarHBondContact N-O 3.16Å; V164-A207 PolarHBondContact O-N 2.79Å; V164-L209 HydrophobicContact CG2-CD1 3.72Å; V164-L209 HydrophobicContact CG2-CG 4.11Å; V164-F220 HydrophobicContact CG2-CD1 4.11Å; V164-V222 HydrophobicContact CG1-CG2 4.19Å |
| 165 | E | 95.9 | Very high | 91.4 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 34% | 0.341 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.6 | 178.9 | -54.4 | -175.2 | 101.8 | 0 | 0 | 109.5 | V152 R153 L163 T205 K206 | V152-E165 CarbonylContact C-O 3.56Å; V152-E165 VanDerWaalsContact CA-O 3.3Å; V152-E165 WeakPolarHBondContact CA-O 3.45Å; R153-E165 PolarHBondContact N-O 3.43Å; R153-E165 PolarHBondContact O-N 2.8Å; L163-E165 HydrophobicContact CD1-CG 4.46Å; L163-E165 HydrophobicContact CD2-CG 3.93Å; L163-E165 HydrophobicContact CG-CG 3.76Å; E165-T205 CarbonylContact C-O 3.56Å; E165-T205 VanDerWaalsContact CA-O 3.26Å; E165-T205 WeakPolarHBondContact CA-O 3.42Å; E165-K206 HydrophobicContact CB-CB 4.39Å; E165-K206 HydrophobicContact CG-CB 3.82Å |
| 166 | W | 95.9 | Very high | 91 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.027 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 177.9 | 179.2 | 59.1 | 95.9 | 0 | 0 | 0 | 110.5 | P149 V152 V164 Y182 I184 L199 N204 T205 A207 V222 | P149-W166 HydrophobicContact CB-CB 4.32Å; P149-W166 HydrophobicContact CB-CG 4.35Å; V152-W166 HydrophobicContact CG2-CB 3.97Å; V164-W166 HydrophobicContact CB-CZ3 4.31Å; V164-W166 HydrophobicContact CG1-CE3 4Å; V164-W166 HydrophobicContact CG1-CZ3 4.07Å; V164-W166 WeakPolarHBondContact O-CZ3 3.05Å; W166-Y182 AromaticContact CD1-CD1 3.98Å; W166-Y182 AromaticContact CD1-CE1 3.77Å; W166-Y182 AromaticContact CE2-CD2 3.87Å; W166-Y182 AromaticContact CE2-CG 3.72Å; W166-Y182 HydrophobicContact CZ2-CD1 4.45Å; W166-Y182 AromaticContact CZ2-CD2 3.71Å; W166-Y182 HydrophobicContact CZ2-CD2 3.71Å; W166-Y182 HydrophobicContact CZ2-CE2 4.45Å; W166-Y182 AromaticContact CZ2-CG 3.71Å; W166-Y182 HydrophobicContact CZ2-CG 3.71Å; W166-Y182 AromaticContact NE1-CD1 3.24Å; W166-Y182 AromaticContact NE1-CD2 3.43Å; W166-Y182 AromaticContact NE1-CE1 3.28Å; W166-Y182 VanDerWaalsContact NE1-CE1 3.28Å; W166-Y182 AromaticContact NE1-CE2 3.48Å; W166-Y182 AromaticContact NE1-CG 3.31Å; W166-Y182 VanDerWaalsContact NE1-CG 3.31Å; W166-Y182 AromaticContact NE1-CZ 3.41Å; W166-I184 HydrophobicContact CH2-CD1 4.15Å; W166-I184 HydrophobicContact CZ3-CD1 3.87Å; W166-I184 HydrophobicContact CZ3-CG1 4.49Å; W166-L199 HydrophobicContact CH2-CD1 3.47Å; W166-L199 VanDerWaalsContact CH2-CD1 3.47Å; W166-L199 HydrophobicContact CZ2-CD1 4.09Å; W166-L199 HydrophobicContact CZ3-CD1 4.4Å; W166-N204 WeakPolarHBondContact CZ2-O 3Å; W166-T205 PolarHBondContact N-O 2.83Å; W166-T205 WeakPolarHBondContact O-CB 3.38Å; W166-T205 PolarHBondContact O-OG1 2.92Å; W166-T205 VanDerWaalsContact O-OG1 3.09Å; W166-A207 HydrophobicContact CH2-CB 4.08Å; W166-A207 HydrophobicContact CZ3-CB 4.21Å; W166-V222 HydrophobicContact CD2-CG1 4.06Å; W166-V222 HydrophobicContact CD2-CG2 4.41Å; W166-V222 HydrophobicContact CE3-CG1 4.43Å; W166-V222 HydrophobicContact CE3-CG2 4.17Å; W166-V222 HydrophobicContact CG-CG1 4.35Å |
| 167 | S | 95.1 | Very high | 91 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 29% | 0.287 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 150.4 | 167.6 | -64.7 | 0 | 0 | 0 | 0 | 109.6 | V150 | V150-S167 PolarHBondContact N-O 2Å; V150-S167 VanDerWaalsContact N-O 3.11Å; V150-S167 PolarHBondContact O-N 2.9Å |
| 168 | P | 93.6 | Very high | 91.1 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | trans | -59.8 | 158.4 | 171.6 | -19 | 32.9 | 0 | 0 | 0 | 111.3 | P170 T205 | P168-P170 WeakPolarHBondContact O-CD 3.25Å; P168-T205 HydrophobicContact CG-CG2 4.11Å | ||
| 169 | P | 94.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | trans | -61.5 | 126.6 | 174.6 | -16.2 | 30.2 | 0 | 0 | 0 | 109.9 | D147 T171 W172 L180 A224 | D147-P169 HydrophobicContact CB-CB 3.96Å; D147-P169 WeakPolarHBondContact O-CB 3.27Å; D147-P169 WeakPolarHBondContact O-CG 3.33Å; P169-T171 PolarHBondContact O-N 2.84Å; P169-T171 VanDerWaalsContact O-N 3.09Å; P169-W172 HydrophobicContact CB-CB 4.42Å; P169-W172 WeakPolarHBondContact O-CB 3.13Å; P169-W172 PolarHBondContact O-N 2.04Å; P169-L180 HydrophobicContact CG-CD1 4.27Å; P169-A224 HydrophobicContact CG-CB 4.15Å | ||
| 170 | P | 92.9 | Very high | 92.1 | Very high | 100 Ų | 100 | 51.7 Ų | 51.7 | 65% | 0.649 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.3 | -177.2 | -26.5 | 35.1 | 0 | 0 | 0 | 114.4 | V150 P168 W172 | V150-P170 HydrophobicContact CG1-CG 4.41Å; V150-P170 HydrophobicContact CG2-CG 4.11Å; P168-P170 WeakPolarHBondContact O-CD 3.25Å; P170-W172 VanDerWaalsContact C-N 3.3Å |
| 171 | T | 91.8 | Very high | 92.3 | Very high | 61 Ų | 61 | 49 Ų | 49 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -18.3 | 176.7 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | S45 D147 P169 T173 | S45-T171 VanDerWaalsContact CB-O 3.23Å; S45-T171 WeakPolarHBondContact CB-O 3.16Å; S45-T171 PolarHBondContact OG-O 3.27Å; D147-T171 VanDerWaalsContact OD2-CB 3.25Å; D147-T171 WeakPolarHBondContact OD2-CB 3.48Å; D147-T171 VanDerWaalsContact OD2-CG2 3.29Å; D147-T171 WeakPolarHBondContact OD2-CG2 3.3Å; D147-T171 PolarHBondContact OD2-OG1 2.8Å; P169-T171 PolarHBondContact O-N 2.84Å; P169-T171 VanDerWaalsContact O-N 3.09Å; T171-T173 PolarHBondContact O-N 2.89Å |
| 172 | W | 91.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | trans | -88.6 | 78.5 | 178.5 | -163 | -85.9 | 0 | 0 | 0 | 110.9 | Y46 V144 P146 P169 P170 S174 F178 L180 | Y46-W172 HydrophobicContact CG-CH2 4.23Å; V144-W172 HydrophobicContact CG1-CH2 3.61Å; V144-W172 HydrophobicContact CG1-CZ3 4.06Å; P146-W172 HydrophobicContact CB-CE3 3.81Å; P146-W172 HydrophobicContact CB-CZ3 3.95Å; P146-W172 HydrophobicContact CG-CE3 4.01Å; P146-W172 HydrophobicContact CG-CH2 4.12Å; P146-W172 HydrophobicContact CG-CZ3 3.69Å; P169-W172 HydrophobicContact CB-CB 4.42Å; P169-W172 WeakPolarHBondContact O-CB 3.13Å; P169-W172 PolarHBondContact O-N 2.04Å; P170-W172 VanDerWaalsContact C-N 3.3Å; W172-S174 VanDerWaalsContact C-N 3.34Å; W172-S174 PolarHBondContact O-N 2.82Å; W172-F178 HydrophobicContact CZ2-CB 4.07Å; W172-F178 PolarHBondContact NE1-O 2.9Å; W172-L180 HydrophobicContact CB-CD1 4.17Å; W172-L180 HydrophobicContact CD2-CD1 4.25Å; W172-L180 HydrophobicContact CD2-CD2 3.93Å; W172-L180 HydrophobicContact CD2-CG 4.32Å; W172-L180 HydrophobicContact CE3-CD2 4.45Å; W172-L180 HydrophobicContact CG-CD1 3.79Å; W172-L180 HydrophobicContact CG-CD2 4.31Å; W172-L180 HydrophobicContact CG-CG 4.19Å; W172-L180 HydrophobicContact CH2-CD2 4.32Å; W172-L180 HydrophobicContact CZ2-CD2 3.81Å | ||
| 173 | T | 89.8 | Confident | 92.4 | Very high | 98 Ų | 98 | 49.7 Ų | 49.7 | 60% | 0.601 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -15.1 | -172.4 | 59 | 0 | 0 | 0 | 0 | 114.3 | T171 T175 | T171-T173 PolarHBondContact O-N 2.89Å; T173-T175 PolarHBondContact O-N 2.85Å |
| 174 | S | 86.9 | Confident | 92.4 | Very high | 22 Ų | 22 | 48 Ų | 48 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 31.4 | -173 | -53 | 0 | 0 | 0 | 0 | 112.8 | W172 D176 I177 F178 | W172-S174 VanDerWaalsContact C-N 3.34Å; W172-S174 PolarHBondContact O-N 2.82Å; S174-D176 PolarHBondContact O-N 2.79Å; S174-D176 VanDerWaalsContact O-N 3.14Å; S174-I177 PolarHBondContact O-N 2.88Å; S174-I177 VanDerWaalsContact O-N 3.1Å; S174-F178 PolarHBondContact O-N 3.24Å |
| 175 | T | 87.7 | Confident | 92.4 | Very high | 50 Ų | 50 | 49 Ų | 49 | 31% | 0.307 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -31.1 | -175.6 | 43.8 | 0 | 0 | 0 | 0 | 114.1 | T173 I177 F178 P179 | T173-T175 PolarHBondContact O-N 2.85Å; T175-I177 VanDerWaalsContact C-N 3.29Å; T175-I177 PolarHBondContact O-N 3.04Å; T175-F178 CarbonylContact O-C 3.46Å; T175-P179 VanDerWaalsContact O-CA 3.28Å; T175-P179 WeakPolarHBondContact O-CA 3.16Å |
| 176 | D | 87.3 | Confident | 92.4 | Very high | 156 Ų | 156 | 46.9 Ų | 46.9 | 83% | 0.834 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -26.7 | -177.4 | -57.7 | -24.1 | 0 | 0 | 0 | 112.5 | S174 | S174-D176 PolarHBondContact O-N 2.79Å; S174-D176 VanDerWaalsContact O-N 3.14Å |
| 177 | I | 90.1 | Very high | 92.3 | Very high | 126 Ų | 126 | 49.6 Ų | 49.6 | 65% | 0.646 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -40.2 | -177.9 | -54.3 | 174.2 | 0 | 0 | 0 | 110.2 | S174 T175 P179 | S174-I177 PolarHBondContact O-N 2.88Å; S174-I177 VanDerWaalsContact O-N 3.1Å; T175-I177 VanDerWaalsContact C-N 3.29Å; T175-I177 PolarHBondContact O-N 3.04Å; I177-P179 WeakPolarHBondContact O-CD 3.15Å |
| 178 | F | 90.9 | Very high | 92.2 | Very high | 41 Ų | 41 | 50.5 Ų | 50.5 | 18% | 0.18 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -122.6 | 79.7 | -179.6 | -56.5 | -67.1 | 0 | 0 | 0 | 109.1 | Y46 P47 L115 W172 S174 T175 | Y46-F178 HydrophobicContact CD1-CB 4.18Å; Y46-F178 AromaticContact CD1-CD1 3.68Å; Y46-F178 HydrophobicContact CD1-CD1 3.68Å; Y46-F178 AromaticContact CD1-CD2 3.9Å; Y46-F178 HydrophobicContact CD1-CD2 3.9Å; Y46-F178 AromaticContact CD1-CE1 3.99Å; Y46-F178 HydrophobicContact CD1-CE1 3.99Å; Y46-F178 HydrophobicContact CD1-CE2 4.21Å; Y46-F178 AromaticContact CD1-CG 3.63Å; Y46-F178 HydrophobicContact CD1-CG 3.63Å; Y46-F178 HydrophobicContact CD1-CZ 4.24Å; Y46-F178 AromaticContact CE1-CD1 3.5Å; Y46-F178 HydrophobicContact CE1-CD1 3.5Å; Y46-F178 HydrophobicContact CE1-CD2 4.38Å; Y46-F178 AromaticContact CE1-CE1 3.48Å; Y46-F178 HydrophobicContact CE1-CE1 3.48Å; Y46-F178 VanDerWaalsContact CE1-CE1 3.48Å; Y46-F178 HydrophobicContact CE1-CE2 4.38Å; Y46-F178 AromaticContact CE1-CG 3.97Å; Y46-F178 HydrophobicContact CE1-CG 3.97Å; Y46-F178 AromaticContact CE1-CZ 3.94Å; Y46-F178 HydrophobicContact CE1-CZ 3.94Å; P47-F178 HydrophobicContact CG-CE2 4.28Å; L115-F178 HydrophobicContact CD1-CZ 4.13Å; W172-F178 HydrophobicContact CZ2-CB 4.07Å; W172-F178 PolarHBondContact NE1-O 2.9Å; S174-F178 PolarHBondContact O-N 3.24Å; T175-F178 CarbonylContact O-C 3.46Å |
| 179 | P | 91.8 | Very high | 91.8 | Very high | 36 Ų | 36 | 53.9 Ų | 53.9 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | trans | -66.6 | 158.1 | -177.4 | 25.8 | -31.8 | 0 | 0 | 0 | 111.4 | T175 I177 M227 | T175-P179 VanDerWaalsContact O-CA 3.28Å; T175-P179 WeakPolarHBondContact O-CA 3.16Å; I177-P179 WeakPolarHBondContact O-CD 3.15Å; P179-M227 HydrophobicContact CB-CE 3.79Å; P179-M227 HydrophobicContact CG-CB 3.93Å; P179-M227 HydrophobicContact CG-CE 4.07Å; P179-M227 HydrophobicContact CG-CG 4.13Å; P179-M227 VanDerWaalsContact O-CB 3.27Å; P179-M227 WeakPolarHBondContact O-CB 3.11Å; P179-M227 PolarHBondContact O-N 2.91Å | ||
| 180 | L | 92.6 | Very high | 91.1 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 143.2 | 178.2 | -66.7 | 173 | 0 | 0 | 0 | 110.8 | P146 P169 W172 Y182 A224 K225 M227 | P146-L180 HydrophobicContact CB-CD2 4.32Å; P146-L180 HydrophobicContact CG-CD2 3.79Å; P169-L180 HydrophobicContact CG-CD1 4.27Å; W172-L180 HydrophobicContact CB-CD1 4.17Å; W172-L180 HydrophobicContact CD2-CD1 4.25Å; W172-L180 HydrophobicContact CD2-CD2 3.93Å; W172-L180 HydrophobicContact CD2-CG 4.32Å; W172-L180 HydrophobicContact CE3-CD2 4.45Å; W172-L180 HydrophobicContact CG-CD1 3.79Å; W172-L180 HydrophobicContact CG-CD2 4.31Å; W172-L180 HydrophobicContact CG-CG 4.19Å; W172-L180 HydrophobicContact CH2-CD2 4.32Å; W172-L180 HydrophobicContact CZ2-CD2 3.81Å; L180-Y182 HydrophobicContact CB-CE1 4.41Å; L180-Y182 HydrophobicContact CB-CE2 4.28Å; L180-A224 HydrophobicContact CD1-CB 4.23Å; L180-K225 CarbonylContact C-O 3.39Å; L180-K225 WeakPolarHBondContact CA-O 3.17Å; L180-K225 WeakPolarHBondContact CD2-O 3.38Å; L180-M227 WeakPolarHBondContact O-CE 3.26Å |
| 181 | K | 93.2 | Very high | 90.4 | Very high | 57 Ų | 57 | 65.6 Ų | 65.6 | 25% | 0.248 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 162.2 | 162.4 | 68 | -179.4 | 171.2 | -153.5 | 0 | 109.4 | L199 K225 E226 M227 | K181-L199 WeakPolarHBondContact CB-O 2.97Å; K181-K225 HydrophobicContact CG-CB 4.04Å; K181-K225 PolarHBondContact N-O 2.75Å; K181-K225 PolarHBondContact O-N 3.31Å; K181-K225 VanDerWaalsContact O-O 3.11Å; K181-E226 VanDerWaalsContact CE-O 3.23Å; K181-E226 WeakPolarHBondContact CE-O 3.12Å; K181-M227 HydrophobicContact CB-CE 4.02Å; K181-M227 HydrophobicContact CB-SD 3.9Å; K181-M227 WeakPolarHBondContact CD-O 3.47Å; K181-M227 WeakPolarHBondContact CE-O 3.33Å; K181-M227 PolarHBondContact NZ-O 3.02Å |
| 182 | Y | 94.5 | Very high | 89.7 | Confident | 21 Ų | 21 | 64 Ų | 64 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 154.3 | -173.2 | -59.1 | -83.2 | 0 | 0 | 0 | 111.5 | P149 W166 L180 L199 V222 C223 A224 | P149-Y182 HydrophobicContact CG-CD1 3.97Å; P149-Y182 HydrophobicContact CG-CE1 4.01Å; W166-Y182 AromaticContact CD1-CD1 3.98Å; W166-Y182 AromaticContact CD1-CE1 3.77Å; W166-Y182 AromaticContact CE2-CD2 3.87Å; W166-Y182 AromaticContact CE2-CG 3.72Å; W166-Y182 HydrophobicContact CZ2-CD1 4.45Å; W166-Y182 AromaticContact CZ2-CD2 3.71Å; W166-Y182 HydrophobicContact CZ2-CD2 3.71Å; W166-Y182 HydrophobicContact CZ2-CE2 4.45Å; W166-Y182 AromaticContact CZ2-CG 3.71Å; W166-Y182 HydrophobicContact CZ2-CG 3.71Å; W166-Y182 AromaticContact NE1-CD1 3.24Å; W166-Y182 AromaticContact NE1-CD2 3.43Å; W166-Y182 AromaticContact NE1-CE1 3.28Å; W166-Y182 VanDerWaalsContact NE1-CE1 3.28Å; W166-Y182 AromaticContact NE1-CE2 3.48Å; W166-Y182 AromaticContact NE1-CG 3.31Å; W166-Y182 VanDerWaalsContact NE1-CG 3.31Å; W166-Y182 AromaticContact NE1-CZ 3.41Å; L180-Y182 HydrophobicContact CB-CE1 4.41Å; L180-Y182 HydrophobicContact CB-CE2 4.28Å; Y182-L199 PolarHBondContact N-O 2.9Å; Y182-L199 WeakPolarHBondContact O-CA 3.23Å; Y182-L199 WeakPolarHBondContact O-CB 3.4Å; Y182-L199 PolarHBondContact O-N 2.76Å; Y182-V222 HydrophobicContact CD1-CG1 4.17Å; Y182-V222 HydrophobicContact CG-CG1 4.48Å; Y182-C223 WeakPolarHBondContact CA-O 3.47Å; Y182-A224 HydrophobicContact CD1-CB 4.03Å; Y182-A224 HydrophobicContact CE1-CB 3.84Å |
| 183 | Q | 94.3 | Very high | 89.4 | Confident | 51 Ų | 51 | 67.6 Ų | 67.6 | 24% | 0.238 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.5 | 170.6 | -175.9 | 175.3 | -14.3 | 0 | 0 | 108.5 | N197 N198 V222 C223 W236 | Q183-N197 WeakPolarHBondContact CA-O 3.43Å; Q183-N198 VanDerWaalsContact CG-OD1 3.25Å; Q183-N198 WeakPolarHBondContact CG-OD1 3.34Å; Q183-N198 PolarHBondContact OE1-OD1 3.11Å; Q183-V222 CarbonylContact O-C 3.46Å; Q183-V222 WeakPolarHBondContact O-CA 3.39Å; Q183-C223 PolarHBondContact N-O 3.12Å; Q183-C223 PolarHBondContact O-N 2.76Å; Q183-W236 HydrophobicContact CB-CH2 4.38Å; Q183-W236 HydrophobicContact CG-CH2 3.96Å; Q183-W236 HydrophobicContact CG-CZ3 4.48Å; Q183-W236 WeakPolarHBondContact O-CZ3 3.32Å |
| 184 | I | 95.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.4 | 174.5 | -54.4 | 178.1 | 0 | 0 | 0 | 108.7 | V164 W166 Y186 F196 N197 L199 A207 L209 Q221 V222 | V164-I184 HydrophobicContact CB-CD1 4.02Å; V164-I184 HydrophobicContact CG1-CD1 4.05Å; V164-I184 HydrophobicContact CG2-CD1 4.31Å; W166-I184 HydrophobicContact CH2-CD1 4.15Å; W166-I184 HydrophobicContact CZ3-CD1 3.87Å; W166-I184 HydrophobicContact CZ3-CG1 4.49Å; I184-Y186 HydrophobicContact CG2-CD1 4.43Å; I184-F196 CarbonylContact O-C 3.52Å; I184-F196 WeakPolarHBondContact O-CA 3.3Å; I184-N197 HydrophobicContact CB-CB 4.45Å; I184-N197 PolarHBondContact N-O 2.86Å; I184-N197 PolarHBondContact O-N 2.84Å; I184-L199 HydrophobicContact CD1-CD1 3.61Å; I184-L199 HydrophobicContact CG1-CD1 3.85Å; I184-A207 HydrophobicContact CD1-CB 3.73Å; I184-L209 HydrophobicContact CD1-CD2 4.42Å; I184-L209 HydrophobicContact CG2-CD1 4.12Å; I184-Q221 CarbonylContact C-O 3.6Å; I184-Q221 WeakPolarHBondContact CA-O 3.46Å; I184-V222 HydrophobicContact CG1-CG1 4.44Å; I184-V222 HydrophobicContact CG1-CG2 4.27Å |
| 185 | L | 95.7 | Very high | 89.8 | Confident | 20 Ų | 20 | 69.8 Ų | 69.8 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 128.7 | 166.5 | 165.6 | 61.6 | 0 | 0 | 0 | 108.5 | P194 K195 F196 F220 Q221 W236 | L185-P194 HydrophobicContact CD1-CB 3.76Å; L185-K195 WeakPolarHBondContact CA-O 3.37Å; L185-F196 HydrophobicContact CB-CD1 4.23Å; L185-F196 HydrophobicContact CB-CE1 4.18Å; L185-F196 HydrophobicContact CD1-CD1 4.07Å; L185-F196 HydrophobicContact CD1-CE1 3.62Å; L185-F196 HydrophobicContact CD1-CZ 3.98Å; L185-F196 HydrophobicContact CG-CE1 4.31Å; L185-F220 CarbonylContact O-C 3.5Å; L185-F220 WeakPolarHBondContact O-CA 3.24Å; L185-Q221 HydrophobicContact CB-CB 4.49Å; L185-Q221 PolarHBondContact N-O 2.91Å; L185-Q221 PolarHBondContact O-N 2.82Å; L185-W236 HydrophobicContact CB-CD2 4.25Å; L185-W236 HydrophobicContact CB-CE3 3.78Å; L185-W236 HydrophobicContact CB-CH2 3.54Å; L185-W236 HydrophobicContact CB-CZ2 4.01Å; L185-W236 HydrophobicContact CB-CZ3 3.4Å; L185-W236 VanDerWaalsContact CB-CZ3 3.4Å; L185-W236 HydrophobicContact CD2-CD2 4.12Å; L185-W236 HydrophobicContact CD2-CE3 4.47Å; L185-W236 HydrophobicContact CD2-CZ2 4.22Å |
| 186 | Y | 95.3 | Very high | 89.9 | Confident | 29 Ų | 29 | 72.8 Ų | 72.8 | 11% | 0.114 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 140.9 | 172.5 | 66.3 | -75.2 | 0 | 0 | 0 | 112.7 | I184 K195 L209 L212 Y218 Q219 F220 | I184-Y186 HydrophobicContact CG2-CD1 4.43Å; Y186-K195 HydrophobicContact CD1-CB 4Å; Y186-K195 WeakPolarHBondContact CD1-O 3.34Å; Y186-K195 HydrophobicContact CD2-CB 4.22Å; Y186-K195 HydrophobicContact CE1-CB 3.54Å; Y186-K195 HydrophobicContact CE2-CB 3.81Å; Y186-K195 HydrophobicContact CE2-CD 3.68Å; Y186-K195 HydrophobicContact CE2-CG 4.31Å; Y186-K195 HydrophobicContact CG-CB 4.31Å; Y186-K195 VanDerWaalsContact CZ-CB 3.44Å; Y186-K195 PolarHBondContact N-O 3.42Å; Y186-K195 PolarHBondContact O-N 3.36Å; Y186-L209 HydrophobicContact CD1-CD1 4.04Å; Y186-L209 HydrophobicContact CE1-CD1 4.3Å; Y186-L209 HydrophobicContact CG-CD1 4.27Å; Y186-L212 HydrophobicContact CD2-CD2 3.99Å; Y186-L212 HydrophobicContact CE2-CD2 3.73Å; Y186-Y218 HydrophobicContact CD2-CD1 4.18Å; Y186-Y218 HydrophobicContact CD2-CE1 4.37Å; Y186-Q219 WeakPolarHBondContact CA-O 3.06Å; Y186-F220 VanDerWaalsContact CB-CD1 3.41Å; Y186-F220 HydrophobicContact CD2-CE1 4.24Å; Y186-F220 HydrophobicContact CG-CD1 4.21Å; Y186-F220 HydrophobicContact CG-CE1 4.06Å |
| 187 | Q | 94.1 | Very high | 90 | Very high | 65 Ų | 65 | 67.8 Ų | 67.8 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 142.6 | 179.3 | 64.8 | -176.4 | 32.3 | 0 | 0 | 110 | Y218 Q219 | Q187-Y218 CarbonylContact O-C 3.5Å; Q187-Y218 WeakPolarHBondContact O-CA 3.22Å; Q187-Q219 HydrophobicContact CG-CB 4.45Å; Q187-Q219 PolarHBondContact N-O 3.46Å; Q187-Q219 PolarHBondContact O-N 2.97Å |
| 188 | W | 91.7 | Very high | 89.7 | Confident | 59 Ų | 59 | 67.3 Ų | 67.3 | 22% | 0.223 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 154.9 | 167.3 | 67.8 | 22.2 | 0 | 0 | 0 | 110.4 | I190 R191 I213 R216 T217 Y218 | W188-I190 PolarHBondContact NE1-O 2.82Å; W188-R191 PolarHBondContact NE1-O 2.84Å; W188-R191 VanDerWaalsContact NE1-O 3.12Å; W188-I213 HydrophobicContact CE3-CB 4.24Å; W188-I213 HydrophobicContact CE3-CD1 4Å; W188-I213 HydrophobicContact CH2-CD1 3.56Å; W188-I213 HydrophobicContact CZ3-CB 3.82Å; W188-I213 HydrophobicContact CZ3-CD1 3.14Å; W188-I213 HydrophobicContact CZ3-CG1 4Å; W188-I213 HydrophobicContact CZ3-CG2 4.01Å; W188-R216 HydrophobicContact CE3-CB 3.85Å; W188-R216 HydrophobicContact CE3-CG 3.5Å; W188-R216 VanDerWaalsContact CE3-CG 3.5Å; W188-R216 HydrophobicContact CZ3-CB 4.48Å; W188-R216 HydrophobicContact CZ3-CG 3.64Å; W188-T217 VanDerWaalsContact CA-O 3.24Å; W188-T217 WeakPolarHBondContact CA-O 3.26Å; W188-T217 WeakPolarHBondContact CB-O 3.18Å; W188-Y218 HydrophobicContact CB-CD1 3.85Å; W188-Y218 HydrophobicContact CB-CD2 4.31Å; W188-Y218 HydrophobicContact CB-CE1 3.72Å; W188-Y218 HydrophobicContact CB-CE2 4.22Å; W188-Y218 HydrophobicContact CB-CG 4.14Å; W188-Y218 HydrophobicContact CG-CE1 4.39Å |
| 189 | E | 85.5 | Confident | 89.3 | Confident | 118 Ų | 118 | 67.1 Ų | 67.1 | 55% | 0.551 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -34 | -171.4 | -162.9 | 162.7 | -128.3 | 0 | 0 | 112.9 | T217 K241 | E189-T217 PolarHBondContact N-O 3.23Å; E189-K241 IonicContact OE1-NZ 3.7Å; E189-K241 PolarHBondContact OE1-NZ 3.05Å |
| 190 | I | 80.1 | Confident | 88 | Confident | 107 Ų | 107 | 68.1 Ų | 68.1 | 55% | 0.549 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 103.8 | -174.8 | -56.1 | 173.8 | 0 | 0 | 0 | 109.9 | W188 G192 | W188-I190 PolarHBondContact NE1-O 2.82Å; I190-G192 VanDerWaalsContact C-N 3.33Å; I190-G192 PolarHBondContact O-N 3.24Å |
| 191 | R | 77.8 | Confident | 86.4 | Confident | 241 Ų | 241 | 70.7 Ų | 70.7 | 91% | 0.909 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 38 | 176.7 | -57 | -178.1 | -179.3 | -128.9 | 0.5 | 113.6 | W188 | W188-R191 PolarHBondContact NE1-O 2.84Å; W188-R191 VanDerWaalsContact NE1-O 3.12Å |
| 192 | G | 76.9 | Confident | 84.4 | Confident | 27 Ų | 27 | 75.1 Ų | 75.1 | 28% | 0.278 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 133.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I190 | I190-G192 VanDerWaalsContact C-N 3.33Å; I190-G192 PolarHBondContact O-N 3.24Å |
| 193 | S | 86.4 | Confident | 82.7 | Confident | 83 Ų | 83 | 83 Ų | 83 | 58% | 0.58 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 138.3 | 157.7 | 51.7 | 0 | 0 | 0 | 0 | 109.4 | K195 | S193-K195 PolarHBondContact O-N 2.92Š|
| 194 | P | 91.6 | Very high | 81.6 | Confident | 68 Ų | 68 | 85.1 Ų | 85.1 | 44% | 0.442 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -53 | 130.3 | 166.9 | -27 | 35.5 | 0 | 0 | 0 | 110.8 | L185 F196 | L185-P194 HydrophobicContact CD1-CB 3.76Å; P194-F196 HydrophobicContact CB-CE2 4.13Å; P194-F196 HydrophobicContact CB-CZ 4.18Å |
| 195 | K | 92.2 | Very high | 81.4 | Confident | 97 Ų | 97 | 87.3 Ų | 87.3 | 42% | 0.422 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 142.2 | 170.2 | -65.8 | -173.6 | 178.8 | -173.7 | 0 | 109.3 | L185 Y186 S193 | L185-K195 WeakPolarHBondContact CA-O 3.37Å; Y186-K195 HydrophobicContact CD1-CB 4Å; Y186-K195 WeakPolarHBondContact CD1-O 3.34Å; Y186-K195 HydrophobicContact CD2-CB 4.22Å; Y186-K195 HydrophobicContact CE1-CB 3.54Å; Y186-K195 HydrophobicContact CE2-CB 3.81Å; Y186-K195 HydrophobicContact CE2-CD 3.68Å; Y186-K195 HydrophobicContact CE2-CG 4.31Å; Y186-K195 HydrophobicContact CG-CB 4.31Å; Y186-K195 VanDerWaalsContact CZ-CB 3.44Å; Y186-K195 PolarHBondContact N-O 3.42Å; Y186-K195 PolarHBondContact O-N 3.36Å; S193-K195 PolarHBondContact O-N 2.92Å |
| 196 | F | 91.4 | Very high | 81.2 | Confident | 113 Ų | 113 | 91.4 Ų | 91.4 | 50% | 0.496 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.6 | 179.8 | -59.1 | -80.7 | 0 | 0 | 0 | 109.7 | I184 L185 P194 W236 | I184-F196 CarbonylContact O-C 3.52Å; I184-F196 WeakPolarHBondContact O-CA 3.3Å; L185-F196 HydrophobicContact CB-CD1 4.23Å; L185-F196 HydrophobicContact CB-CE1 4.18Å; L185-F196 HydrophobicContact CD1-CD1 4.07Å; L185-F196 HydrophobicContact CD1-CE1 3.62Å; L185-F196 HydrophobicContact CD1-CZ 3.98Å; L185-F196 HydrophobicContact CG-CE1 4.31Å; P194-F196 HydrophobicContact CB-CE2 4.13Å; P194-F196 HydrophobicContact CB-CZ 4.18Å; F196-W236 HydrophobicContact CD1-CH2 4.12Å; F196-W236 HydrophobicContact CD1-CZ2 4.39Å; F196-W236 HydrophobicContact CE1-CH2 4.12Å; F196-W236 AromaticContact CE1-CZ2 3.94Å; F196-W236 HydrophobicContact CE1-CZ2 3.94Å |
| 197 | N | 88.1 | Confident | 81.1 | Confident | 52 Ų | 52 | 90.6 Ų | 90.6 | 28% | 0.278 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 114.3 | 168.8 | -168.9 | 9.2 | 0 | 0 | 0 | 108.9 | Q183 I184 L209 | Q183-N197 WeakPolarHBondContact CA-O 3.43Å; I184-N197 HydrophobicContact CB-CB 4.45Å; I184-N197 PolarHBondContact N-O 2.86Å; I184-N197 PolarHBondContact O-N 2.84Å; N197-L209 HydrophobicContact CB-CD2 4.12Å; N197-L209 WeakPolarHBondContact ND2-CD2 3.31Å |
| 198 | N | 84.5 | Confident | 81 | Confident | 116 Ų | 116 | 91.1 Ų | 91.1 | 62% | 0.62 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.5 | 177.1 | -65.1 | -36.5 | 0 | 0 | 0 | 108.8 | Q183 | Q183-N198 VanDerWaalsContact CG-OD1 3.25Å; Q183-N198 WeakPolarHBondContact CG-OD1 3.34Å; Q183-N198 PolarHBondContact OE1-OD1 3.11Å |
| 199 | L | 81.4 | Confident | 81.1 | Confident | 37 Ų | 37 | 88.5 Ų | 88.5 | 19% | 0.194 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 117.7 | -176.9 | -56.3 | 175.6 | 0 | 0 | 0 | 108.9 | W166 K181 Y182 I184 A207 | W166-L199 HydrophobicContact CH2-CD1 3.47Å; W166-L199 VanDerWaalsContact CH2-CD1 3.47Å; W166-L199 HydrophobicContact CZ2-CD1 4.09Å; W166-L199 HydrophobicContact CZ3-CD1 4.4Å; K181-L199 WeakPolarHBondContact CB-O 2.97Å; Y182-L199 PolarHBondContact N-O 2.9Å; Y182-L199 WeakPolarHBondContact O-CA 3.23Å; Y182-L199 WeakPolarHBondContact O-CB 3.4Å; Y182-L199 PolarHBondContact O-N 2.76Å; I184-L199 HydrophobicContact CD1-CD1 3.61Å; I184-L199 HydrophobicContact CG1-CD1 3.85Å; L199-A207 HydrophobicContact CD1-CB 3.52Å; L199-A207 HydrophobicContact CD2-CB 4.14Å |
| 200 | G | 64.7 | Low | 81.4 | Confident | 57 Ų | 57 | 88.8 Ų | 88.8 | 59% | 0.588 | 46% | 0.457 | S | S | * | . | trans | -84.1 | 175 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 201 | P | 59.8 | Low | 81.9 | Confident | 67 Ų | 67 | 86.3 Ų | 86.3 | 44% | 0.435 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -57.6 | 154.6 | -160.4 | 3.5 | -13.4 | 0 | 0 | 0 | 118.4 | M227 | P201-M227 VanDerWaalsContact CA-CE 3.5Å; P201-M227 HydrophobicContact CB-CE 3.29Å; P201-M227 HydrophobicContact CB-CG 4.17Å; P201-M227 HydrophobicContact CB-SD 3.17Å; P201-M227 WeakPolarHBondContact CB-SD 3.46Å; P201-M227 WeakPolarHBondContact CD-SD 3.19Å; P201-M227 HydrophobicContact CG-CE 4.01Å; P201-M227 HydrophobicContact CG-CG 4.08Å; P201-M227 HydrophobicContact CG-SD 3.13Å; P201-M227 WeakPolarHBondContact CG-SD 3.31Å |
| 202 | F | 51.7 | Low | 82.6 | Confident | 150 Ų | 150 | 75 Ų | 75 | 66% | 0.658 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 95.8 | 110.8 | 163.1 | -69.6 | -75.9 | 0 | 0 | 0 | 117.2 | N204 | F202-N204 PolarHBondContact O-N 2.89Š|
| 203 | E | 57.6 | Low | 83.3 | Confident | 185 Ų | 185 | 77.5 Ų | 77.5 | 86% | 0.864 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 52.4 | -7.7 | 162.3 | -60.6 | -164.6 | 173.6 | 0 | 0 | 118.5 | T205 | E203-T205 VanDerWaalsContact C-N 3.25Å; E203-T205 PolarHBondContact O-N 2.81Å |
| 204 | N | 71.7 | Confident | 83.6 | Confident | 96 Ų | 96 | 75.7 Ų | 75.7 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | trans | -82.3 | 80.7 | 178 | -77.2 | -31 | 0 | 0 | 0 | 108.6 | W166 F202 K206 | W166-N204 WeakPolarHBondContact CZ2-O 3Å; F202-N204 PolarHBondContact O-N 2.89Å; N204-K206 PolarHBondContact O-N 3.48Å; N204-K206 VanDerWaalsContact O-N 3.08Å | ||
| 205 | T | 90.8 | Very high | 83.6 | Confident | 46 Ų | 46 | 74.3 Ų | 74.3 | 28% | 0.282 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -76.2 | 28.9 | 157.2 | 68.7 | 0 | 0 | 0 | 0 | 110.9 | E165 W166 P168 E203 | E165-T205 CarbonylContact C-O 3.56Å; E165-T205 VanDerWaalsContact CA-O 3.26Å; E165-T205 WeakPolarHBondContact CA-O 3.42Å; W166-T205 PolarHBondContact N-O 2.83Å; W166-T205 WeakPolarHBondContact O-CB 3.38Å; W166-T205 PolarHBondContact O-OG1 2.92Å; W166-T205 VanDerWaalsContact O-OG1 3.09Å; P168-T205 HydrophobicContact CG-CG2 4.11Å; E203-T205 VanDerWaalsContact C-N 3.25Å; E203-T205 PolarHBondContact O-N 2.81Å |
| 206 | K | 91.8 | Very high | 83.6 | Confident | 106 Ų | 106 | 74.4 Ų | 74.4 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 148.1 | 179.5 | 66 | -174.9 | 177.6 | -170.8 | 0 | 111.7 | L163 V164 E165 N204 | L163-K206 HydrophobicContact CD1-CB 4.19Å; V164-K206 CarbonylContact O-C 3.56Å; V164-K206 WeakPolarHBondContact O-CA 3.06Å; E165-K206 HydrophobicContact CB-CB 4.39Å; E165-K206 HydrophobicContact CG-CB 3.82Å; N204-K206 PolarHBondContact O-N 3.48Å; N204-K206 VanDerWaalsContact O-N 3.08Å |
| 207 | A | 92.3 | Very high | 83.8 | Confident | 12 Ų | 12 | 71.1 Ų | 71.1 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 135.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V164 W166 I184 L199 | V164-A207 PolarHBondContact N-O 3.16Å; V164-A207 PolarHBondContact O-N 2.79Å; W166-A207 HydrophobicContact CH2-CB 4.08Å; W166-A207 HydrophobicContact CZ3-CB 4.21Å; I184-A207 HydrophobicContact CD1-CB 3.73Å; L199-A207 HydrophobicContact CD1-CB 3.52Å; L199-A207 HydrophobicContact CD2-CB 4.14Å |
| 208 | E | 93 | Very high | 84.1 | Confident | 76 Ų | 76 | 69.1 Ų | 69.1 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 119 | 170 | -168.8 | -169.6 | 175.8 | 0 | 0 | 109.6 | L157 H161 V162 K210 | L157-E208 HydrophobicContact CD2-CG 4.01Å; H161-E208 IonicContact CE1-OE1 3.82Å; H161-E208 IonicContact CG-OE1 3.12Å; H161-E208 IonicContact ND1-OE1 2.81Å; H161-E208 PolarHBondContact ND1-OE1 2.97Å; V162-E208 CarbonylContact O-C 3.56Å; V162-E208 WeakPolarHBondContact O-CA 3.29Å; E208-K210 HydrophobicContact CG-CG 4.38Å; E208-K210 WeakPolarHBondContact OE1-CE 3.22Å; E208-K210 IonicContact OE1-NZ 3.53Å; E208-K210 WeakPolarHBondContact OE2-CE 3.24Å; E208-K210 IonicContact OE2-NZ 2.77Å; E208-K210 PolarHBondContact OE2-NZ 2.83Å; E208-K210 VanDerWaalsContact OE2-NZ 3.13Å |
| 209 | L | 92.9 | Very high | 84.7 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.8 | 172 | -57.5 | -180 | 0 | 0 | 0 | 109.8 | H161 V162 V164 I184 Y186 N197 F220 | H161-L209 VanDerWaalsContact CA-O 3.27Å; H161-L209 WeakPolarHBondContact CA-O 3.11Å; V162-L209 HydrophobicContact CG2-CB 3.81Å; V162-L209 HydrophobicContact CG2-CD1 4.38Å; V162-L209 HydrophobicContact CG2-CG 4.42Å; V162-L209 PolarHBondContact N-O 2.99Å; V162-L209 PolarHBondContact O-N 2.94Å; V164-L209 HydrophobicContact CG2-CD1 3.72Å; V164-L209 HydrophobicContact CG2-CG 4.11Å; I184-L209 HydrophobicContact CD1-CD2 4.42Å; I184-L209 HydrophobicContact CG2-CD1 4.12Å; Y186-L209 HydrophobicContact CD1-CD1 4.04Å; Y186-L209 HydrophobicContact CE1-CD1 4.3Å; Y186-L209 HydrophobicContact CG-CD1 4.27Å; N197-L209 HydrophobicContact CB-CD2 4.12Å; N197-L209 WeakPolarHBondContact ND2-CD2 3.31Å; L209-F220 HydrophobicContact CD1-CD1 3.84Å; L209-F220 HydrophobicContact CD1-CE1 3.63Å |
| 210 | K | 92 | Very high | 85.4 | Confident | 125 Ų | 125 | 63.9 Ų | 63.9 | 54% | 0.543 | 35% | 0.352 | S | S | . | . | trans | -114.7 | 165.1 | -175.7 | -61.1 | -179.9 | 178.6 | 170.5 | 0 | 111.4 | E208 L212 | E208-K210 HydrophobicContact CG-CG 4.38Å; E208-K210 WeakPolarHBondContact OE1-CE 3.22Å; E208-K210 IonicContact OE1-NZ 3.53Å; E208-K210 WeakPolarHBondContact OE2-CE 3.24Å; E208-K210 IonicContact OE2-NZ 2.77Å; E208-K210 PolarHBondContact OE2-NZ 2.83Å; E208-K210 VanDerWaalsContact OE2-NZ 3.13Å; K210-L212 VanDerWaalsContact C-N 3.33Å; K210-L212 PolarHBondContact O-N 3.34Å | ||
| 211 | G | 90.9 | Very high | 87 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 56% | 0.557 | 33% | 0.331 | S | S | * | . | trans | 72.9 | 25.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K160 | K160-G211 PolarHBondContact O-N 3.24Š| ||
| 212 | L | 92.7 | Very high | 88.7 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 151.2 | 172.3 | -58 | 179.4 | 0 | 0 | 0 | 110.6 | K160 V162 Y186 K210 Y218 F220 I244 | K160-L212 WeakPolarHBondContact CB-O 3.24Å; K160-L212 WeakPolarHBondContact CG-O 3.4Å; K160-L212 PolarHBondContact O-N 3.12Å; K160-L212 VanDerWaalsContact O-N 3.07Å; V162-L212 HydrophobicContact CB-CD1 4.14Å; V162-L212 HydrophobicContact CG1-CD1 3.61Å; V162-L212 HydrophobicContact CG2-CD1 3.44Å; V162-L212 VanDerWaalsContact CG2-CD1 3.44Å; Y186-L212 HydrophobicContact CD2-CD2 3.99Å; Y186-L212 HydrophobicContact CE2-CD2 3.73Å; K210-L212 VanDerWaalsContact C-N 3.33Å; K210-L212 PolarHBondContact O-N 3.34Å; L212-Y218 HydrophobicContact CB-CE2 4.17Å; L212-Y218 HydrophobicContact CD2-CD1 4.17Å; L212-Y218 HydrophobicContact CD2-CE1 3.78Å; L212-Y218 HydrophobicContact CD2-CE2 4.3Å; L212-F220 HydrophobicContact CD1-CE1 4.4Å; L212-F220 HydrophobicContact CD1-CZ 3.99Å; L212-I244 HydrophobicContact CB-CD1 4.2Å; L212-I244 HydrophobicContact CB-CG1 4.03Å; L212-I244 HydrophobicContact CD1-CD1 3.64Å; L212-I244 HydrophobicContact CD1-CG1 4.34Å |
| 213 | I | 92.1 | Very high | 90.9 | Very high | 80 Ų | 80 | 52.5 Ų | 52.5 | 41% | 0.41 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 121.3 | -175.5 | -65.4 | 168.9 | 0 | 0 | 0 | 109.1 | W188 R216 Y218 | W188-I213 HydrophobicContact CE3-CB 4.24Å; W188-I213 HydrophobicContact CE3-CD1 4Å; W188-I213 HydrophobicContact CH2-CD1 3.56Å; W188-I213 HydrophobicContact CZ3-CB 3.82Å; W188-I213 HydrophobicContact CZ3-CD1 3.14Å; W188-I213 HydrophobicContact CZ3-CG1 4Å; W188-I213 HydrophobicContact CZ3-CG2 4.01Å; I213-R216 HydrophobicContact CB-CG 3.99Å; I213-R216 HydrophobicContact CG2-CG 3.71Å; I213-R216 WeakPolarHBondContact O-CB 3.5Å; I213-R216 PolarHBondContact O-N 3.27Å; I213-Y218 PolarHBondContact N-OH 2.84Å |
| 214 | P | 92.7 | Very high | 92.7 | Very high | 45 Ų | 45 | 43.7 Ų | 43.7 | 29% | 0.292 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 144.9 | 178.3 | -22 | 30.9 | 0 | 0 | 0 | 112.5 | T159 K160 R216 T246 | T159-P214 HydrophobicContact CG2-CB 4.38Å; T159-P214 HydrophobicContact CG2-CG 4.08Å; T159-P214 WeakPolarHBondContact O-CG 3.41Å; K160-P214 HydrophobicContact CG-CG 3.96Å; P214-R216 PolarHBondContact O-N 3.22Å; P214-T246 HydrophobicContact CB-CG2 4.42Å |
| 215 | G | 91.6 | Very high | 93.7 | Very high | 40 Ų | 40 | 41.8 Ų | 41.8 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 2.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | I244 | G215-I244 WeakPolarHBondContact CA-O 3.44Å; G215-I244 PolarHBondContact N-O 3.47Å |
| 216 | R | 92.6 | Very high | 93.8 | Very high | 99 Ų | 99 | 39.8 Ų | 39.8 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | trans | -99.8 | 142.3 | 178.5 | -63.9 | -77.5 | -171.2 | -164.2 | 0.5 | 111.1 | W188 I213 P214 Y218 T243 I244 | W188-R216 HydrophobicContact CE3-CB 3.85Å; W188-R216 HydrophobicContact CE3-CG 3.5Å; W188-R216 VanDerWaalsContact CE3-CG 3.5Å; W188-R216 HydrophobicContact CZ3-CB 4.48Å; W188-R216 HydrophobicContact CZ3-CG 3.64Å; I213-R216 HydrophobicContact CB-CG 3.99Å; I213-R216 HydrophobicContact CG2-CG 3.71Å; I213-R216 WeakPolarHBondContact O-CB 3.5Å; I213-R216 PolarHBondContact O-N 3.27Å; P214-R216 PolarHBondContact O-N 3.22Å; R216-Y218 HydrophobicContact CB-CD2 4.26Å; R216-Y218 HydrophobicContact CB-CE2 3.75Å; R216-T243 WeakPolarHBondContact O-CA 3.39Å; R216-I244 PolarHBondContact O-N 3.22Å | ||
| 217 | T | 94.2 | Very high | 93.8 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 27% | 0.27 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 124.8 | 171.9 | -48.1 | 0 | 0 | 0 | 0 | 109.9 | W188 E189 I242 T243 | W188-T217 VanDerWaalsContact CA-O 3.24Å; W188-T217 WeakPolarHBondContact CA-O 3.26Å; W188-T217 WeakPolarHBondContact CB-O 3.18Å; E189-T217 PolarHBondContact N-O 3.23Å; T217-I242 CarbonylContact C-O 3.6Å; T217-I242 WeakPolarHBondContact CA-O 3.45Å; T217-T243 PolarHBondContact OG1-OG1 3.29Å |
| 218 | Y | 95.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 146 | 175 | -74.2 | -99.1 | 0 | 0 | 0 | 110.6 | Y186 Q187 W188 L212 I213 R216 F220 K241 I242 I244 | Y186-Y218 HydrophobicContact CD2-CD1 4.18Å; Y186-Y218 HydrophobicContact CD2-CE1 4.37Å; Q187-Y218 CarbonylContact O-C 3.5Å; Q187-Y218 WeakPolarHBondContact O-CA 3.22Å; W188-Y218 HydrophobicContact CB-CD1 3.85Å; W188-Y218 HydrophobicContact CB-CD2 4.31Å; W188-Y218 HydrophobicContact CB-CE1 3.72Å; W188-Y218 HydrophobicContact CB-CE2 4.22Å; W188-Y218 HydrophobicContact CB-CG 4.14Å; W188-Y218 HydrophobicContact CG-CE1 4.39Å; L212-Y218 HydrophobicContact CB-CE2 4.17Å; L212-Y218 HydrophobicContact CD2-CD1 4.17Å; L212-Y218 HydrophobicContact CD2-CE1 3.78Å; L212-Y218 HydrophobicContact CD2-CE2 4.3Å; I213-Y218 PolarHBondContact N-OH 2.84Å; R216-Y218 HydrophobicContact CB-CD2 4.26Å; R216-Y218 HydrophobicContact CB-CE2 3.75Å; Y218-F220 VanDerWaalsContact CB-CZ 3.5Å; Y218-F220 HydrophobicContact CG-CE2 4.39Å; Y218-F220 HydrophobicContact CG-CZ 4.14Å; Y218-K241 VanDerWaalsContact O-CA 3.28Å; Y218-K241 WeakPolarHBondContact O-CA 3.21Å; Y218-I242 PolarHBondContact N-O 3.19Å; Y218-I242 PolarHBondContact O-N 3.07Å; Y218-I244 HydrophobicContact CD2-CD1 4.15Å; Y218-I244 HydrophobicContact CD2-CG1 3.65Å; Y218-I244 HydrophobicContact CE2-CG1 3.8Å |
| 219 | Q | 96.1 | Very high | 93.5 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 20% | 0.201 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.7 | 167.3 | 176.8 | 172.6 | -36.6 | 0 | 0 | 108.7 | Y186 Q187 Q221 P239 V240 K241 | Y186-Q219 WeakPolarHBondContact CA-O 3.06Å; Q187-Q219 HydrophobicContact CG-CB 4.45Å; Q187-Q219 PolarHBondContact N-O 3.46Å; Q187-Q219 PolarHBondContact O-N 2.97Å; Q219-Q221 VanDerWaalsContact NE2-OE1 3.09Å; Q219-P239 VanDerWaalsContact CD-CB 3.49Å; Q219-P239 HydrophobicContact CG-CB 3.59Å; Q219-P239 VanDerWaalsContact NE2-CB 3.32Å; Q219-V240 CarbonylContact C-O 3.55Å; Q219-V240 WeakPolarHBondContact CA-O 3.47Å; Q219-K241 HydrophobicContact CB-CG 4.3Å |
| 220 | F | 97.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140 | 179.5 | -58.2 | -96 | 0 | 0 | 0 | 110.4 | V154 V162 V164 L185 Y186 L209 L212 Y218 V240 I242 | V154-F220 HydrophobicContact CB-CD2 4.43Å; V154-F220 HydrophobicContact CG1-CD2 4.1Å; V154-F220 HydrophobicContact CG1-CE2 4.05Å; V154-F220 HydrophobicContact CG1-CG 4.47Å; V154-F220 HydrophobicContact CG1-CZ 4.39Å; V154-F220 HydrophobicContact CG2-CB 3.9Å; V154-F220 HydrophobicContact CG2-CD2 3.91Å; V154-F220 HydrophobicContact CG2-CG 3.93Å; V162-F220 HydrophobicContact CG2-CE1 4.05Å; V162-F220 HydrophobicContact CG2-CZ 4.05Å; V164-F220 HydrophobicContact CG2-CD1 4.11Å; L185-F220 CarbonylContact O-C 3.5Å; L185-F220 WeakPolarHBondContact O-CA 3.24Å; Y186-F220 VanDerWaalsContact CB-CD1 3.41Å; Y186-F220 HydrophobicContact CD2-CE1 4.24Å; Y186-F220 HydrophobicContact CG-CD1 4.21Å; Y186-F220 HydrophobicContact CG-CE1 4.06Å; L209-F220 HydrophobicContact CD1-CD1 3.84Å; L209-F220 HydrophobicContact CD1-CE1 3.63Å; L212-F220 HydrophobicContact CD1-CE1 4.4Å; L212-F220 HydrophobicContact CD1-CZ 3.99Å; Y218-F220 VanDerWaalsContact CB-CZ 3.5Å; Y218-F220 HydrophobicContact CG-CE2 4.39Å; Y218-F220 HydrophobicContact CG-CZ 4.14Å; F220-V240 PolarHBondContact N-O 2.78Å; F220-V240 PolarHBondContact O-N 2.85Å; F220-I242 HydrophobicContact CD2-CG1 4.27Å; F220-I242 HydrophobicContact CE2-CD1 4.18Å; F220-I242 HydrophobicContact CE2-CG1 3.62Å |
| 221 | Q | 97.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 150.7 | 174.5 | -68.6 | 177.8 | -98.2 | 0 | 0 | 109.6 | I184 L185 Q219 W236 S237 P239 | I184-Q221 CarbonylContact C-O 3.6Å; I184-Q221 WeakPolarHBondContact CA-O 3.46Å; L185-Q221 HydrophobicContact CB-CB 4.49Å; L185-Q221 PolarHBondContact N-O 2.91Å; L185-Q221 PolarHBondContact O-N 2.82Å; Q219-Q221 VanDerWaalsContact NE2-OE1 3.09Å; Q221-W236 HydrophobicContact CB-CB 4.07Å; Q221-W236 HydrophobicContact CB-CD2 4.43Å; Q221-W236 HydrophobicContact CB-CE3 3.97Å; Q221-W236 VanDerWaalsContact NE2-CB 3.32Å; Q221-S237 WeakPolarHBondContact CG-O 3.42Å; Q221-S237 PolarHBondContact NE2-O 3.4Å; Q221-P239 HydrophobicContact CG-CB 3.95Å |
| 222 | V | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138 | 179.9 | -166.6 | 0 | 0 | 0 | 0 | 108.9 | P149 V152 V164 W166 Y182 Q183 I184 S237 | P149-V222 HydrophobicContact CB-CB 4.45Å; P149-V222 HydrophobicContact CB-CG1 4.5Å; P149-V222 WeakPolarHBondContact CD-O 3.17Å; P149-V222 HydrophobicContact CG-CB 4.18Å; P149-V222 HydrophobicContact CG-CG1 3.98Å; V152-V222 HydrophobicContact CG1-CG2 3.9Å; V152-V222 HydrophobicContact CG2-CB 4.48Å; V152-V222 HydrophobicContact CG2-CG2 4.24Å; V164-V222 HydrophobicContact CG1-CG2 4.19Å; W166-V222 HydrophobicContact CD2-CG1 4.06Å; W166-V222 HydrophobicContact CD2-CG2 4.41Å; W166-V222 HydrophobicContact CE3-CG1 4.43Å; W166-V222 HydrophobicContact CE3-CG2 4.17Å; W166-V222 HydrophobicContact CG-CG1 4.35Å; Y182-V222 HydrophobicContact CD1-CG1 4.17Å; Y182-V222 HydrophobicContact CG-CG1 4.48Å; Q183-V222 CarbonylContact O-C 3.46Å; Q183-V222 WeakPolarHBondContact O-CA 3.39Å; I184-V222 HydrophobicContact CG1-CG1 4.44Å; I184-V222 HydrophobicContact CG1-CG2 4.27Å; V222-S237 PolarHBondContact N-OG 2.77Å; V222-S237 WeakPolarHBondContact O-CB 3.21Å; V222-S237 PolarHBondContact O-N 3.2Å |
| 223 | C | 96.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 149 | 167.5 | 79.6 | 0 | 0 | 0 | 0 | 110.2 | Y182 Q183 C233 S234 W236 | Y182-C223 WeakPolarHBondContact CA-O 3.47Å; Q183-C223 PolarHBondContact N-O 3.12Å; Q183-C223 PolarHBondContact O-N 2.76Å; C223-C233 VanDerWaalsContact C-SG 3.55Å; C223-C233 HydrophobicContact CB-CB 4.03Å; C223-C233 WeakPolarHBondContact CB-SG 3.29Å; C223-C233 WeakPolarHBondContact SG-CB 3.41Å; C223-C233 CovalentContact SG-SG 2.05Å; C223-C233 PolarHBondContact SG-SG 2.95Å; C223-S234 WeakPolarHBondContact CA-OG 3.13Å; C223-S234 WeakPolarHBondContact CB-OG 3.36Å; C223-W236 HydrophobicContact CB-CD2 4.16Å; C223-W236 HydrophobicContact CB-CE3 3.75Å; C223-W236 HydrophobicContact CB-CH2 4.43Å; C223-W236 HydrophobicContact CB-CZ3 3.91Å |
| 224 | A | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 141 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P146 P149 P169 L180 Y182 C233 S234 | P146-A224 HydrophobicContact CB-CB 4.15Å; P146-A224 HydrophobicContact CG-CB 4.48Å; P149-A224 HydrophobicContact CG-CB 4.01Å; P169-A224 HydrophobicContact CG-CB 4.15Å; L180-A224 HydrophobicContact CD1-CB 4.23Å; Y182-A224 HydrophobicContact CD1-CB 4.03Å; Y182-A224 HydrophobicContact CE1-CB 3.84Å; A224-C233 VanDerWaalsContact C-SG 3.57Å; A224-C233 CarbonylContact O-C 3.56Å; A224-C233 WeakPolarHBondContact O-CA 3.46Å; A224-C233 PolarHBondContact O-SG 3.08Å; A224-S234 PolarHBondContact N-OG 2.81Å; A224-S234 PolarHBondContact O-N 3.34Å |
| 225 | K | 93.7 | Very high | 94.3 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 149.3 | 171.9 | -165.7 | 170.8 | -165.8 | -172.4 | 0 | 109.8 | L180 K181 G229 L230 G231 | L180-K225 CarbonylContact C-O 3.39Å; L180-K225 WeakPolarHBondContact CA-O 3.17Å; L180-K225 WeakPolarHBondContact CD2-O 3.38Å; K181-K225 HydrophobicContact CG-CB 4.04Å; K181-K225 PolarHBondContact N-O 2.75Å; K181-K225 PolarHBondContact O-N 3.31Å; K181-K225 VanDerWaalsContact O-O 3.11Å; K225-G229 WeakPolarHBondContact CE-O 3.4Å; K225-G229 PolarHBondContact NZ-O 3Å; K225-L230 VanDerWaalsContact CE-O 3.26Å; K225-L230 WeakPolarHBondContact CE-O 3.18Å; K225-G231 WeakPolarHBondContact CE-O 3.46Å; K225-G231 PolarHBondContact NZ-O 2.6Å |
| 226 | E | 92.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 145.2 | 168.7 | -171.8 | -70.9 | 136.6 | 0 | 0 | 110.5 | V144 K181 L228 G229 L230 | V144-E226 HydrophobicContact CG1-CB 3.99Å; K181-E226 VanDerWaalsContact CE-O 3.23Å; K181-E226 WeakPolarHBondContact CE-O 3.12Å; E226-L228 PolarHBondContact O-N 3.01Å; E226-L228 PolarHBondContact OE1-N 3Å; E226-L228 VanDerWaalsContact OE2-CA 3.3Å; E226-L228 WeakPolarHBondContact OE2-CA 3.31Å; E226-L228 WeakPolarHBondContact OE2-CB 3.18Å; E226-L228 PolarHBondContact OE2-N 2.85Å; E226-G229 WeakPolarHBondContact O-CA 3.47Å; E226-G229 PolarHBondContact O-N 2.88Å; E226-G229 PolarHBondContact OE2-N 2.87Å; E226-L230 HydrophobicContact CB-CB 4.4Å; E226-L230 HydrophobicContact CG-CB 4.32Å; E226-L230 WeakPolarHBondContact OE2-CB 3.42Å; E226-L230 WeakPolarHBondContact OE2-CG 3.44Å; E226-L230 PolarHBondContact OE2-N 3.18Å; E226-L230 VanDerWaalsContact OE2-N 3.12Å |
| 227 | M | 91.3 | Very high | 94.8 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 12% | 0.118 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -51.5 | -170.6 | -170.1 | 49.1 | 61.1 | 0 | 0 | 115.2 | P179 L180 K181 P201 G229 | P179-M227 HydrophobicContact CB-CE 3.79Å; P179-M227 HydrophobicContact CG-CB 3.93Å; P179-M227 HydrophobicContact CG-CE 4.07Å; P179-M227 HydrophobicContact CG-CG 4.13Å; P179-M227 VanDerWaalsContact O-CB 3.27Å; P179-M227 WeakPolarHBondContact O-CB 3.11Å; P179-M227 PolarHBondContact O-N 2.91Å; L180-M227 WeakPolarHBondContact O-CE 3.26Å; K181-M227 HydrophobicContact CB-CE 4.02Å; K181-M227 HydrophobicContact CB-SD 3.9Å; K181-M227 WeakPolarHBondContact CD-O 3.47Å; K181-M227 WeakPolarHBondContact CE-O 3.33Å; K181-M227 PolarHBondContact NZ-O 3.02Å; P201-M227 VanDerWaalsContact CA-CE 3.5Å; P201-M227 HydrophobicContact CB-CE 3.29Å; P201-M227 HydrophobicContact CB-CG 4.17Å; P201-M227 HydrophobicContact CB-SD 3.17Å; P201-M227 WeakPolarHBondContact CB-SD 3.46Å; P201-M227 WeakPolarHBondContact CD-SD 3.19Å; P201-M227 HydrophobicContact CG-CE 4.01Å; P201-M227 HydrophobicContact CG-CG 4.08Å; P201-M227 HydrophobicContact CG-SD 3.13Å; P201-M227 WeakPolarHBondContact CG-SD 3.31Å; M227-G229 PolarHBondContact O-N 2.85Å; M227-G229 VanDerWaalsContact O-N 3.16Å |
| 228 | L | 90.8 | Very high | 94.9 | Very high | 143 Ų | 143 | 40.1 Ų | 40.1 | 75% | 0.749 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9.5 | 179.2 | -55.9 | 179.5 | 0 | 0 | 0 | 111.4 | E226 L230 | E226-L228 PolarHBondContact O-N 3.01Å; E226-L228 PolarHBondContact OE1-N 3Å; E226-L228 VanDerWaalsContact OE2-CA 3.3Å; E226-L228 WeakPolarHBondContact OE2-CA 3.31Å; E226-L228 WeakPolarHBondContact OE2-CB 3.18Å; E226-L228 PolarHBondContact OE2-N 2.85Å; L228-L230 HydrophobicContact CB-CG 4.2Å |
| 229 | G | 90.1 | Very high | 95 | Very high | 21 Ų | 21 | 43 Ų | 43 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | trans | 85 | 21.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K225 E226 M227 | K225-G229 WeakPolarHBondContact CE-O 3.4Å; K225-G229 PolarHBondContact NZ-O 3Å; E226-G229 WeakPolarHBondContact O-CA 3.47Å; E226-G229 PolarHBondContact O-N 2.88Å; E226-G229 PolarHBondContact OE2-N 2.87Å; M227-G229 PolarHBondContact O-N 2.85Å; M227-G229 VanDerWaalsContact O-N 3.16Å | ||
| 230 | L | 92.3 | Very high | 95 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | trans | -60.5 | 149.4 | 171.9 | -59.4 | 178.8 | 0 | 0 | 0 | 110.5 | E141 V144 K225 E226 L228 | E141-L230 HydrophobicContact CB-CD1 4.18Å; E141-L230 HydrophobicContact CB-CD2 4.26Å; E141-L230 HydrophobicContact CG-CD1 4Å; E141-L230 WeakPolarHBondContact O-CB 3.39Å; V144-L230 HydrophobicContact CG2-CB 4.36Å; K225-L230 VanDerWaalsContact CE-O 3.26Å; K225-L230 WeakPolarHBondContact CE-O 3.18Å; E226-L230 HydrophobicContact CB-CB 4.4Å; E226-L230 HydrophobicContact CG-CB 4.32Å; E226-L230 WeakPolarHBondContact OE2-CB 3.42Å; E226-L230 WeakPolarHBondContact OE2-CG 3.44Å; E226-L230 PolarHBondContact OE2-N 3.18Å; E226-L230 VanDerWaalsContact OE2-N 3.12Å; L228-L230 HydrophobicContact CB-CG 4.2Å | ||
| 231 | G | 94.1 | Very high | 95 | Very high | 22 Ų | 22 | 48 Ų | 48 | 23% | 0.227 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 49 | -136.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E141 D142 V144 K225 | E141-G231 PolarHBondContact O-N 3Å; D142-G231 WeakPolarHBondContact O-CA 3.23Å; V144-G231 CarbonylContact O-C 3.56Å; V144-G231 VanDerWaalsContact O-CA 3.31Å; V144-G231 WeakPolarHBondContact O-CA 3.47Å; K225-G231 WeakPolarHBondContact CE-O 3.46Å; K225-G231 PolarHBondContact NZ-O 2.6Å |
| 232 | Q | 94.1 | Very high | 94.8 | Very high | 103 Ų | 103 | 47.9 Ų | 47.9 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | trans | -114 | 161.6 | -171.1 | -59.2 | -175 | 6.1 | 0 | 0 | 112.2 | V144 K145 | V144-Q232 PolarHBondContact O-N 2.96Å; K145-Q232 HydrophobicContact CG-CB 4.4Å | ||
| 233 | C | 94.5 | Very high | 94.7 | Very high | 30 Ų | 30 | 51.9 Ų | 51.9 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -68 | 152.6 | 164 | -138.9 | 0 | 0 | 0 | 0 | 109.2 | K145 C223 A224 | K145-C233 PolarHBondContact NZ-O 3.24Å; C223-C233 VanDerWaalsContact C-SG 3.55Å; C223-C233 HydrophobicContact CB-CB 4.03Å; C223-C233 WeakPolarHBondContact CB-SG 3.29Å; C223-C233 WeakPolarHBondContact SG-CB 3.41Å; C223-C233 CovalentContact SG-SG 2.05Å; C223-C233 PolarHBondContact SG-SG 2.95Å; A224-C233 VanDerWaalsContact C-SG 3.57Å; A224-C233 CarbonylContact O-C 3.56Å; A224-C233 WeakPolarHBondContact O-CA 3.46Å; A224-C233 PolarHBondContact O-SG 3.08Å |
| 234 | S | 96.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 167.1 | 162.7 | 73.7 | 0 | 0 | 0 | 0 | 110.6 | P146 D147 C223 A224 | P146-S234 WeakPolarHBondContact O-CA 3.09Å; P146-S234 WeakPolarHBondContact O-CB 3.33Å; D147-S234 VanDerWaalsContact O-CB 3.3Å; D147-S234 WeakPolarHBondContact O-CB 3.44Å; C223-S234 WeakPolarHBondContact CA-OG 3.13Å; C223-S234 WeakPolarHBondContact CB-OG 3.36Å; A224-S234 PolarHBondContact N-OG 2.81Å; A224-S234 PolarHBondContact O-N 3.34Å |
| 235 | D | 97 | Very high | 94.3 | Very high | 99 Ų | 99 | 53.1 Ų | 53.1 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 157.7 | 161.4 | -57.5 | -31.3 | 0 | 0 | 0 | 109.6 | K145 P148 | K145-D235 IonicContact NZ-OD1 2.75Å; K145-D235 PolarHBondContact NZ-OD1 3.19Å; P148-D235 WeakPolarHBondContact CB-O 3.3Å; P148-D235 HydrophobicContact CG-CB 4.01Å; P148-D235 WeakPolarHBondContact CG-O 3.13Å |
| 236 | W | 97.5 | Very high | 94 | Very high | 89 Ų | 89 | 55.2 Ų | 55.2 | 34% | 0.337 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 140.2 | 177.8 | -66 | 103 | 0 | 0 | 0 | 110.1 | Q183 L185 F196 Q221 C223 | Q183-W236 HydrophobicContact CB-CH2 4.38Å; Q183-W236 HydrophobicContact CG-CH2 3.96Å; Q183-W236 HydrophobicContact CG-CZ3 4.48Å; Q183-W236 WeakPolarHBondContact O-CZ3 3.32Å; L185-W236 HydrophobicContact CB-CD2 4.25Å; L185-W236 HydrophobicContact CB-CE3 3.78Å; L185-W236 HydrophobicContact CB-CH2 3.54Å; L185-W236 HydrophobicContact CB-CZ2 4.01Å; L185-W236 HydrophobicContact CB-CZ3 3.4Å; L185-W236 VanDerWaalsContact CB-CZ3 3.4Å; L185-W236 HydrophobicContact CD2-CD2 4.12Å; L185-W236 HydrophobicContact CD2-CE3 4.47Å; L185-W236 HydrophobicContact CD2-CZ2 4.22Å; F196-W236 HydrophobicContact CD1-CH2 4.12Å; F196-W236 HydrophobicContact CD1-CZ2 4.39Å; F196-W236 HydrophobicContact CE1-CH2 4.12Å; F196-W236 AromaticContact CE1-CZ2 3.94Å; F196-W236 HydrophobicContact CE1-CZ2 3.94Å; Q221-W236 HydrophobicContact CB-CB 4.07Å; Q221-W236 HydrophobicContact CB-CD2 4.43Å; Q221-W236 HydrophobicContact CB-CE3 3.97Å; Q221-W236 VanDerWaalsContact NE2-CB 3.32Å; C223-W236 HydrophobicContact CB-CD2 4.16Å; C223-W236 HydrophobicContact CB-CE3 3.75Å; C223-W236 HydrophobicContact CB-CH2 4.43Å; C223-W236 HydrophobicContact CB-CZ3 3.91Å |
| 237 | S | 98.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.028 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 163.7 | 170.6 | 72.3 | 0 | 0 | 0 | 0 | 111.8 | Q221 V222 | Q221-S237 WeakPolarHBondContact CG-O 3.42Å; Q221-S237 PolarHBondContact NE2-O 3.4Å; V222-S237 PolarHBondContact N-OG 2.77Å; V222-S237 WeakPolarHBondContact O-CB 3.21Å; V222-S237 PolarHBondContact O-N 3.2Å |
| 238 | S | 96.3 | Very high | 92.2 | Very high | 102 Ų | 102 | 67.4 Ų | 67.4 | 71% | 0.713 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 138.8 | 167.8 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 239 | P | 96.2 | Very high | 90.8 | Very high | 71 Ų | 71 | 68 Ų | 68 | 46% | 0.461 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 133.4 | -175.6 | 27.3 | -34 | 0 | 0 | 0 | 112.5 | Q219 Q221 | Q219-P239 VanDerWaalsContact CD-CB 3.49Å; Q219-P239 HydrophobicContact CG-CB 3.59Å; Q219-P239 VanDerWaalsContact NE2-CB 3.32Å; Q221-P239 HydrophobicContact CG-CB 3.95Å |
| 240 | V | 97.3 | Very high | 90.8 | Very high | 34 Ų | 34 | 70.4 Ų | 70.4 | 21% | 0.206 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.5 | 172.4 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | V152 V154 Q219 F220 I242 | V152-V240 HydrophobicContact CB-CG2 4.05Å; V152-V240 HydrophobicContact CG1-CG2 3.87Å; V152-V240 WeakPolarHBondContact O-CG2 3.46Å; V154-V240 HydrophobicContact CB-CG1 4.15Å; V154-V240 HydrophobicContact CG2-CB 4.01Å; V154-V240 HydrophobicContact CG2-CG1 3.77Å; Q219-V240 CarbonylContact C-O 3.55Å; Q219-V240 WeakPolarHBondContact CA-O 3.47Å; F220-V240 PolarHBondContact N-O 2.78Å; F220-V240 PolarHBondContact O-N 2.85Å; V240-I242 HydrophobicContact CG1-CG2 4.49Å |
| 241 | K | 96 | Very high | 90.7 | Very high | 113 Ų | 113 | 71.4 Ų | 71.4 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.2 | 179.6 | -65.1 | -171.7 | 179 | -168.1 | 0 | 111.2 | E189 Y218 Q219 | E189-K241 IonicContact OE1-NZ 3.7Å; E189-K241 PolarHBondContact OE1-NZ 3.05Å; Y218-K241 VanDerWaalsContact O-CA 3.28Å; Y218-K241 WeakPolarHBondContact O-CA 3.21Å; Q219-K241 HydrophobicContact CB-CG 4.3Å |
| 242 | I | 95 | Very high | 90.6 | Very high | 31 Ų | 31 | 74.2 Ų | 74.2 | 16% | 0.159 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 151.3 | 171.7 | 63.7 | 154 | 0 | 0 | 0 | 111.9 | V154 V162 T217 Y218 F220 V240 I244 | V154-I242 HydrophobicContact CB-CD1 4.11Å; V154-I242 HydrophobicContact CB-CG1 4.34Å; V154-I242 HydrophobicContact CB-CG2 4.21Å; V154-I242 HydrophobicContact CG1-CD1 3.37Å; V154-I242 HydrophobicContact CG1-CG1 3.93Å; V162-I242 HydrophobicContact CB-CD1 4.4Å; V162-I242 HydrophobicContact CG1-CD1 3.65Å; T217-I242 CarbonylContact C-O 3.6Å; T217-I242 WeakPolarHBondContact CA-O 3.45Å; Y218-I242 PolarHBondContact N-O 3.19Å; Y218-I242 PolarHBondContact O-N 3.07Å; F220-I242 HydrophobicContact CD2-CG1 4.27Å; F220-I242 HydrophobicContact CE2-CD1 4.18Å; F220-I242 HydrophobicContact CE2-CG1 3.62Å; V240-I242 HydrophobicContact CG1-CG2 4.49Å; I242-I244 HydrophobicContact CD1-CD1 4.03Å; I242-I244 HydrophobicContact CG1-CD1 4.48Å |
| 243 | T | 94 | Very high | 90.4 | Very high | 85 Ų | 85 | 72.5 Ų | 72.5 | 52% | 0.521 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.1 | 171.6 | -55.6 | 0 | 0 | 0 | 0 | 109.8 | R216 T217 | R216-T243 WeakPolarHBondContact O-CA 3.39Å; T217-T243 PolarHBondContact OG1-OG1 3.29Å |
| 244 | I | 93.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 127.9 | -179.6 | -52.5 | -55.6 | 0 | 0 | 0 | 109.9 | T159 V162 L212 G215 R216 Y218 I242 | T159-I244 VanDerWaalsContact O-CG2 3.28Å; T159-I244 WeakPolarHBondContact O-CG2 3.44Å; V162-I244 HydrophobicContact CG1-CD1 3.5Å; L212-I244 HydrophobicContact CB-CD1 4.2Å; L212-I244 HydrophobicContact CB-CG1 4.03Å; L212-I244 HydrophobicContact CD1-CD1 3.64Å; L212-I244 HydrophobicContact CD1-CG1 4.34Å; G215-I244 WeakPolarHBondContact CA-O 3.44Å; G215-I244 PolarHBondContact N-O 3.47Å; R216-I244 PolarHBondContact O-N 3.22Å; Y218-I244 HydrophobicContact CD2-CD1 4.15Å; Y218-I244 HydrophobicContact CD2-CG1 3.65Å; Y218-I244 HydrophobicContact CE2-CG1 3.8Å; I242-I244 HydrophobicContact CD1-CD1 4.03Å; I242-I244 HydrophobicContact CG1-CD1 4.48Å |
| 245 | P | 89.6 | Confident | 89.7 | Confident | 25 Ų | 25 | 79.7 Ų | 79.7 | 16% | 0.162 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 140.5 | -179.8 | -25.1 | 34 | 0 | 0 | 0 | 112.7 | P156 L249 | P156-P245 HydrophobicContact CB-CG 3.71Å; P156-P245 HydrophobicContact CG-CG 4.06Å; P245-L249 HydrophobicContact CG-CD1 4.22Å; P245-L249 HydrophobicContact CG-CD2 4.32Å; P245-L249 HydrophobicContact CG-CG 4.26Å |
| 246 | T | 87.2 | Confident | 89.1 | Confident | 101 Ų | 101 | 78.4 Ų | 78.4 | 62% | 0.62 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -86.3 | -22.2 | 175.2 | 51 | 0 | 0 | 0 | 0 | 113 | P214 | P214-T246 HydrophobicContact CB-CG2 4.42Š|
| 247 | T | 78.3 | Confident | 88.5 | Confident | 97 Ų | 97 | 77.5 Ų | 77.5 | 60% | 0.595 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -102.7 | 165.1 | 177.4 | 53 | 0 | 0 | 0 | 0 | 111 | T159 | T159-T247 PolarHBondContact OG1-O 3.47Š|
| 248 | K | 68 | Low | 87.7 | Confident | 188 Ų | 188 | 83.7 Ų | 83.7 | 82% | 0.817 | 46% | 0.464 | S | S | * | . | trans | -67.3 | 133.8 | 166.6 | -72.8 | -174.9 | 177.6 | -177.6 | 0 | 108.3 | ||||
| 249 | L | 61 | Low | 86.9 | Confident | 156 Ų | 156 | 82 Ų | 82 | 82% | 0.817 | 44% | 0.441 | S | S | * | . | trans | -70.7 | 0 | 168.5 | -73.2 | 165.2 | 0 | 0 | 0 | 110 | P156 P245 | P156-L249 HydrophobicContact CB-CD1 3.72Å; P156-L249 HydrophobicContact CG-CD1 3.84Å; P156-L249 VanDerWaalsContact O-CD1 3.3Å; P156-L249 WeakPolarHBondContact O-CD1 3.24Å; P245-L249 HydrophobicContact CG-CD1 4.22Å; P245-L249 HydrophobicContact CG-CD2 4.32Å; P245-L249 HydrophobicContact CG-CG 4.26Å |
Retrieved 249 of 249 residues in 63.4 ms
(Link to these results)