| 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 | 43.8 | Very low | 43.1 | Very low | 252 Ų | 252 | 184.3 Ų | 184.3 | 100% | 1.241 | 86% | 0.863 | S | S | * | * | 0 | 117.3 | 0 | -85.1 | 168.9 | 163.3 | 0 | 0 | 108.2 | |||||
| 2 | R | 38.2 | Very low | 43.5 | Very low | 232 Ų | 232 | 175.8 Ų | 175.8 | 88% | 0.875 | 84% | 0.839 | S | S | * | * | trans | -90.3 | 133.7 | 177.4 | -75 | 174.8 | 167.4 | 178 | -4.5 | 108.5 | ||||
| 3 | Y | 44.6 | Very low | 44.2 | Very low | 227 Ų | 227 | 177 Ų | 177 | 89% | 0.89 | 84% | 0.839 | S | S | * | * | trans | -148.2 | 115.2 | 144.2 | -94.1 | -76.8 | 0 | 0 | 0 | 109.2 | ||||
| 4 | T | 39 | Very low | 44.5 | Very low | 130 Ų | 130 | 176.1 Ų | 176.1 | 80% | 0.798 | 83% | 0.834 | S | S | * | * | trans | -118.6 | 121.9 | 172.3 | -12.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 5 | I | 48.7 | Very low | 44.8 | Very low | 153 Ų | 153 | 174.1 Ų | 174.1 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -141 | 89.8 | 166 | -57 | 178.5 | 0 | 0 | 0 | 104.8 | ||||
| 6 | L | 41.8 | Very low | 45.5 | Very low | 157 Ų | 157 | 171.6 Ų | 171.6 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | 61.5 | 87.1 | 84.6 | -141.7 | 90.6 | 0 | 0 | 0 | 115.7 | |||||
| 7 | R | 41.8 | Very low | 46 | Very low | 235 Ų | 235 | 170.1 Ų | 170.1 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | 8.9 | 147.4 | 131.3 | -138.2 | 174.9 | -173.9 | -163.3 | 1.8 | 120.6 | ||||
| 8 | S | 45.4 | Very low | 46.2 | Very low | 103 Ų | 103 | 168.8 Ų | 168.8 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | 87 | 133 | 169.3 | 83.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 9 | L | 41.5 | Very low | 45.9 | Very low | 155 Ų | 155 | 169.5 Ų | 169.5 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | cis | -138.8 | 141.7 | 39.2 | -87.5 | 95.5 | 0 | 0 | 0 | 113.6 | ||||
| 10 | W | 44.4 | Very low | 45.7 | Very low | 234 Ų | 234 | 166.2 Ų | 166.2 | 89% | 0.886 | 80% | 0.799 | S | S | * | * | trans | -57.2 | 140.8 | 151.8 | -116.2 | 52.1 | 0 | 0 | 0 | 110.6 | ||||
| 11 | L | 45.4 | Very low | 45.6 | Very low | 149 Ų | 149 | 166.4 Ų | 166.4 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | -174.9 | 115.8 | 129.2 | -95.2 | 155.4 | 0 | 0 | 0 | 109.2 | F13 | L11-F13 PolarHBondContact O-N 3.37Š| |||
| 12 | S | 47.5 | Very low | 45.3 | Very low | 82 Ų | 82 | 165.4 Ų | 165.4 | 57% | 0.573 | 78% | 0.776 | S | S | * | * | trans | -54.9 | 118.4 | 174.5 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | H14 | S12-H14 PolarHBondContact O-N 3.1Å; S12-H14 PolarHBondContact OG-NE2 3.5Å | ||
| 13 | F | 52.6 | Low | 45.5 | Very low | 192 Ų | 192 | 163.6 Ų | 163.6 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | trans | -78.9 | 89.7 | 164.4 | -92.1 | -93.1 | 0 | 0 | 0 | 108.8 | L11 L15 | L11-F13 PolarHBondContact O-N 3.37Å; F13-L15 VanDerWaalsContact C-N 3.33Å; F13-L15 PolarHBondContact O-N 3.22Å; F13-L15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | H | 48.2 | Very low | 45.5 | Very low | 164 Ų | 164 | 159.3 Ų | 159.3 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -74.4 | 93.6 | 158.4 | -76.8 | -53.9 | 0 | 0 | 0 | 108.4 | S12 I16 | S12-H14 PolarHBondContact O-N 3.1Å; S12-H14 PolarHBondContact OG-NE2 3.5Å; H14-I16 PolarHBondContact O-N 3.02Å | ||
| 15 | L | 49 | Very low | 46.2 | Very low | 146 Ų | 146 | 158.9 Ų | 158.9 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | -60.2 | 101 | 163.5 | -104 | 136.3 | 0 | 0 | 0 | 108.3 | F13 I17 | F13-L15 VanDerWaalsContact C-N 3.33Å; F13-L15 PolarHBondContact O-N 3.22Å; F13-L15 VanDerWaalsContact O-N 3.1Å; L15-I17 PolarHBondContact O-N 3.03Å | ||
| 16 | I | 55.7 | Low | 46.8 | Very low | 135 Ų | 135 | 155.2 Ų | 155.2 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | -66.4 | 99 | 164.9 | -70.4 | 170.2 | 0 | 0 | 0 | 106.5 | H14 I18 | H14-I16 PolarHBondContact O-N 3.02Å; I16-I18 VanDerWaalsContact C-N 3.26Å; I16-I18 HydrophobicContact CG2-CB 4.5Å; I16-I18 HydrophobicContact CG2-CD1 3.52Å; I16-I18 HydrophobicContact CG2-CG1 3.47Å; I16-I18 VanDerWaalsContact CG2-CG1 3.47Å; I16-I18 PolarHBondContact O-N 3.12Å | ||
| 17 | I | 54.8 | Low | 48.4 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 74% | 0.744 | 70% | 0.704 | S | S | * | * | trans | -74.7 | 86.1 | 165 | -60.5 | 172.3 | 0 | 0 | 0 | 106 | L15 W19 | L15-I17 PolarHBondContact O-N 3.03Å; I17-W19 VanDerWaalsContact C-N 3.35Å; I17-W19 PolarHBondContact O-N 3.06Å; I17-W19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | I | 48.9 | Very low | 50.4 | Low | 147 Ų | 147 | 141.4 Ų | 141.4 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | trans | -73.7 | 99.8 | 162 | -73.8 | 148.9 | 0 | 0 | 0 | 106.1 | I16 | I16-I18 VanDerWaalsContact C-N 3.26Å; I16-I18 HydrophobicContact CG2-CB 4.5Å; I16-I18 HydrophobicContact CG2-CD1 3.52Å; I16-I18 HydrophobicContact CG2-CG1 3.47Å; I16-I18 VanDerWaalsContact CG2-CG1 3.47Å; I16-I18 PolarHBondContact O-N 3.12Å | ||
| 19 | W | 41.6 | Very low | 52.5 | Low | 182 Ų | 182 | 136.5 Ų | 136.5 | 69% | 0.689 | 64% | 0.643 | S | S | * | * | trans | -33.7 | 127.3 | 167.5 | -108.7 | -6.2 | 0 | 0 | 0 | 112.9 | I17 Y21 | I17-W19 VanDerWaalsContact C-N 3.35Å; I17-W19 PolarHBondContact O-N 3.06Å; I17-W19 VanDerWaalsContact O-N 3.12Å; W19-Y21 HydrophobicContact CB-CD2 4.07Å; W19-Y21 AromaticContact CD2-CD2 3.38Å; W19-Y21 HydrophobicContact CD2-CD2 3.38Å; W19-Y21 AromaticContact CD2-CE2 3.71Å; W19-Y21 HydrophobicContact CD2-CE2 3.71Å; W19-Y21 HydrophobicContact CD2-CG 4.44Å; W19-Y21 AromaticContact CE2-CD2 3.74Å; W19-Y21 AromaticContact CE2-CE2 3.53Å; W19-Y21 AromaticContact CE3-CD2 3.58Å; W19-Y21 HydrophobicContact CE3-CD2 3.58Å; W19-Y21 HydrophobicContact CE3-CE2 4.03Å; W19-Y21 HydrophobicContact CE3-CG 4.29Å; W19-Y21 AromaticContact CG-CD2 3.65Å; W19-Y21 HydrophobicContact CG-CD2 3.65Å; W19-Y21 HydrophobicContact CG-CE2 4.21Å; W19-Y21 HydrophobicContact CH2-CD2 4.39Å; W19-Y21 HydrophobicContact CH2-CE2 4.02Å; W19-Y21 HydrophobicContact CZ2-CD2 4.24Å; W19-Y21 AromaticContact CZ2-CE2 3.7Å; W19-Y21 HydrophobicContact CZ2-CE2 3.7Å; W19-Y21 HydrophobicContact CZ3-CD2 4.09Å; W19-Y21 HydrophobicContact CZ3-CE2 4.17Å; W19-Y21 AromaticContact NE1-CE2 3.95Å; W19-Y21 PolarHBondContact O-N 2.9Å | ||
| 20 | P | 41.8 | Very low | 54.7 | Low | 104 Ų | 104 | 130 Ų | 130 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | trans | -79.9 | 61.4 | 166.2 | 35.9 | -32 | 0 | 0 | 0 | 108.9 | R22 | P20-R22 PolarHBondContact O-N 3.44Š| ||
| 21 | Y | 42.3 | Very low | 56.8 | Low | 171 Ų | 171 | 126.5 Ų | 126.5 | 67% | 0.671 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 11 | 167.3 | -100.8 | -88.3 | 0 | 0 | 0 | 112.1 | W19 | W19-Y21 HydrophobicContact CB-CD2 4.07Å; W19-Y21 AromaticContact CD2-CD2 3.38Å; W19-Y21 HydrophobicContact CD2-CD2 3.38Å; W19-Y21 AromaticContact CD2-CE2 3.71Å; W19-Y21 HydrophobicContact CD2-CE2 3.71Å; W19-Y21 HydrophobicContact CD2-CG 4.44Å; W19-Y21 AromaticContact CE2-CD2 3.74Å; W19-Y21 AromaticContact CE2-CE2 3.53Å; W19-Y21 AromaticContact CE3-CD2 3.58Å; W19-Y21 HydrophobicContact CE3-CD2 3.58Å; W19-Y21 HydrophobicContact CE3-CE2 4.03Å; W19-Y21 HydrophobicContact CE3-CG 4.29Å; W19-Y21 AromaticContact CG-CD2 3.65Å; W19-Y21 HydrophobicContact CG-CD2 3.65Å; W19-Y21 HydrophobicContact CG-CE2 4.21Å; W19-Y21 HydrophobicContact CH2-CD2 4.39Å; W19-Y21 HydrophobicContact CH2-CE2 4.02Å; W19-Y21 HydrophobicContact CZ2-CD2 4.24Å; W19-Y21 AromaticContact CZ2-CE2 3.7Å; W19-Y21 HydrophobicContact CZ2-CE2 3.7Å; W19-Y21 HydrophobicContact CZ3-CD2 4.09Å; W19-Y21 HydrophobicContact CZ3-CE2 4.17Å; W19-Y21 AromaticContact NE1-CE2 3.95Å; W19-Y21 PolarHBondContact O-N 2.9Å |
| 22 | R | 38 | Very low | 58.9 | Low | 231 Ų | 231 | 122.6 Ų | 122.6 | 87% | 0.872 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | 13.8 | -174.8 | -116.2 | -176.4 | -174.6 | -174.3 | 0.7 | 115.7 | P20 F24 | P20-R22 PolarHBondContact O-N 3.44Å; R22-F24 PolarHBondContact O-N 2.72Å |
| 23 | Y | 41.6 | Very low | 60.7 | Low | 194 Ų | 194 | 121.6 Ų | 121.6 | 76% | 0.761 | 58% | 0.576 | S | S | * | * | trans | -87.1 | 59.2 | 165.2 | -102.5 | -84.7 | 0 | 0 | 0 | 110.1 | ||||
| 24 | F | 45.3 | Very low | 62.3 | Low | 137 Ų | 137 | 118.2 Ų | 118.2 | 60% | 0.601 | 57% | 0.566 | S | S | * | * | trans | -72.9 | 120.2 | 146.5 | -79.7 | -86.1 | 0 | 0 | 0 | 104.3 | R22 C26 | R22-F24 PolarHBondContact O-N 2.72Å; F24-C26 PolarHBondContact O-N 3.17Å | ||
| 25 | N | 53.3 | Low | 64 | Low | 121 Ų | 121 | 112 Ų | 112 | 65% | 0.647 | 54% | 0.539 | S | S | * | . | trans | -60.3 | 87.5 | 162.4 | -84.3 | -13.7 | 0 | 0 | 0 | 105.8 | H27 | N25-H27 PolarHBondContact O-N 3.17Å; N25-H27 VanDerWaalsContact O-N 3.11Å | ||
| 26 | C | 61 | Low | 65.7 | Low | 76 Ų | 76 | 106.3 Ų | 106.3 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | trans | -62.1 | 114.9 | 170 | -72.2 | 0 | 0 | 0 | 0 | 105.2 | F24 E28 | F24-C26 PolarHBondContact O-N 3.17Å; C26-E28 PolarHBondContact O-N 3.22Å | ||
| 27 | H | 76.8 | Confident | 66.9 | Low | 30 Ų | 30 | 104.4 Ų | 104.4 | 14% | 0.139 | 51% | 0.507 | C | S | . | . | trans | -57.8 | 140.8 | 168.1 | -63.4 | 88.2 | 0 | 0 | 0 | 107.2 | N25 V29 C30 F193 | N25-H27 PolarHBondContact O-N 3.17Å; N25-H27 VanDerWaalsContact O-N 3.11Å; H27-V29 HydrophobicContact CB-CG2 3.66Å; H27-V29 PolarHBondContact O-N 3.06Å; H27-V29 VanDerWaalsContact O-N 3.08Å; H27-C30 WeakPolarHBondContact O-CA 3.42Å; H27-C30 WeakPolarHBondContact O-CB 3.44Å; H27-C30 PolarHBondContact O-N 2.77Å; H27-F193 HydrophobicContact CB-CD1 4.37Å; H27-F193 AromaticContact CD2-CD1 3.63Å; H27-F193 AromaticContact CG-CD1 3.93Å | ||
| 28 | E | 84.1 | Confident | 68.2 | Low | 72 Ų | 72 | 99.6 Ų | 99.6 | 34% | 0.336 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -52.3 | -34.4 | 179.8 | -174.1 | -173 | 179.6 | 0 | 0 | 111.9 | C26 C30 E31 N32 L35 K224 | C26-E28 PolarHBondContact O-N 3.22Å; E28-C30 PolarHBondContact O-N 3.32Å; E28-E31 PolarHBondContact O-N 2.75Å; E28-N32 PolarHBondContact O-N 3.44Å; E28-L35 HydrophobicContact CB-CD1 4.44Å; E28-L35 HydrophobicContact CG-CD1 3.64Å; E28-K224 IonicContact OE2-NZ 3.87Å |
| 29 | V | 87.7 | Confident | 70 | Confident | 0 Ų | 0 | 96.3 Ų | 96.3 | 0% | 0 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -63.9 | -21.6 | 175.3 | -65.5 | 0 | 0 | 0 | 0 | 114.1 | H27 E31 N32 P33 L35 L36 Y54 F193 L200 | H27-V29 HydrophobicContact CB-CG2 3.66Å; H27-V29 PolarHBondContact O-N 3.06Å; H27-V29 VanDerWaalsContact O-N 3.08Å; V29-E31 VanDerWaalsContact C-N 3.29Å; V29-N32 CarbonylContact O-C 3.55Å; V29-P33 WeakPolarHBondContact O-CA 3.44Å; V29-P33 WeakPolarHBondContact O-CD 3.3Å; V29-P33 WeakPolarHBondContact O-CG 3.48Å; V29-P33 VanDerWaalsContact O-N 3.09Å; V29-L35 HydrophobicContact CG1-CB 4.15Å; V29-L36 HydrophobicContact CB-CD1 4.24Å; V29-L36 HydrophobicContact CB-CD2 3.99Å; V29-L36 HydrophobicContact CB-CG 4Å; V29-L36 HydrophobicContact CG1-CD1 4.47Å; V29-L36 HydrophobicContact CG1-CD2 3.34Å; V29-L36 HydrophobicContact CG1-CG 3.74Å; V29-L36 HydrophobicContact CG2-CD2 4.47Å; V29-Y54 HydrophobicContact CG1-CD1 3.95Å; V29-Y54 HydrophobicContact CG1-CD2 4.43Å; V29-Y54 HydrophobicContact CG1-CE1 3.31Å; V29-Y54 HydrophobicContact CG1-CE2 3.86Å; V29-Y54 HydrophobicContact CG1-CG 4.48Å; V29-Y54 WeakPolarHBondContact CG1-OH 3.28Å; V29-F193 HydrophobicContact CG2-CB 3.9Å; V29-F193 HydrophobicContact CG2-CD1 4.22Å; V29-F193 HydrophobicContact CG2-CD2 3.91Å; V29-F193 HydrophobicContact CG2-CE2 4.5Å; V29-F193 HydrophobicContact CG2-CG 3.74Å; V29-L200 HydrophobicContact CB-CD1 4.44Å; V29-L200 HydrophobicContact CG2-CD1 4.48Å; V29-L200 VanDerWaalsContact O-CD1 3.28Å; V29-L200 WeakPolarHBondContact O-CD1 3.2Å |
| 30 | C | 89.1 | Confident | 72.3 | Confident | 19 Ų | 19 | 90.2 Ų | 90.2 | 13% | 0.128 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -71.5 | -28.6 | 172.9 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | H27 E28 C195 | H27-C30 WeakPolarHBondContact O-CA 3.42Å; H27-C30 WeakPolarHBondContact O-CB 3.44Å; H27-C30 PolarHBondContact O-N 2.77Å; E28-C30 PolarHBondContact O-N 3.32Å; C30-C195 WeakPolarHBondContact CA-SG 3.49Å; C30-C195 HydrophobicContact CB-CB 3.67Å; C30-C195 WeakPolarHBondContact CB-SG 3.24Å; C30-C195 WeakPolarHBondContact SG-CA 3.45Å; C30-C195 WeakPolarHBondContact SG-CB 3.45Å; C30-C195 CovalentContact SG-SG 2.03Å; C30-C195 PolarHBondContact SG-SG 3.04Å |
| 31 | E | 88.9 | Confident | 74.8 | Confident | 159 Ų | 159 | 88.3 Ų | 88.3 | 74% | 0.743 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -90.8 | -32.2 | 176 | -62.4 | -176.2 | 179.1 | 0 | 0 | 111.7 | E28 V29 | E28-E31 PolarHBondContact O-N 2.75Å; V29-E31 VanDerWaalsContact C-N 3.29Å |
| 32 | N | 87.7 | Confident | 77.2 | Confident | 67 Ų | 67 | 80.5 Ų | 80.5 | 36% | 0.358 | 40% | 0.398 | S | S | . | . | trans | -134.9 | 80.6 | 178.7 | -173 | 5.6 | 0 | 0 | 0 | 111.6 | E28 V29 D34 L35 | E28-N32 PolarHBondContact O-N 3.44Å; V29-N32 CarbonylContact O-C 3.55Å; N32-D34 PolarHBondContact O-N 2.99Å; N32-L35 HydrophobicContact CB-CD1 4Å; N32-L35 HydrophobicContact CB-CG 4.14Å; N32-L35 WeakPolarHBondContact O-CB 3.36Å; N32-L35 WeakPolarHBondContact O-CG 3.26Å; N32-L35 PolarHBondContact O-N 2.82Å | ||
| 33 | P | 86 | Confident | 79.8 | Confident | 61 Ų | 61 | 71.2 Ų | 71.2 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -61.4 | -24.4 | -178.5 | -24.2 | 34.2 | 0 | 0 | 0 | 114.2 | V29 L35 L36 L200 | V29-P33 WeakPolarHBondContact O-CA 3.44Å; V29-P33 WeakPolarHBondContact O-CD 3.3Å; V29-P33 WeakPolarHBondContact O-CG 3.48Å; V29-P33 VanDerWaalsContact O-N 3.09Å; P33-L35 PolarHBondContact O-N 3.06Å; P33-L35 VanDerWaalsContact O-N 3.08Å; P33-L36 WeakPolarHBondContact O-CB 3.01Å; P33-L36 PolarHBondContact O-N 3.28Å; P33-L200 HydrophobicContact CB-CD1 4.26Å; P33-L200 HydrophobicContact CG-CD1 4.33Å |
| 34 | D | 86.3 | Confident | 82.2 | Confident | 122 Ų | 122 | 65.2 Ų | 65.2 | 65% | 0.652 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -60.5 | -22 | 179.7 | -65.3 | -18.9 | 0 | 0 | 0 | 112.3 | N32 L36 S37 | N32-D34 PolarHBondContact O-N 2.99Å; D34-L36 PolarHBondContact O-N 3.11Å; D34-S37 PolarHBondContact O-N 3.47Å; D34-S37 PolarHBondContact O-OG 3.27Å |
| 35 | L | 84.2 | Confident | 84.5 | Confident | 34 Ų | 34 | 62 Ų | 62 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -58.3 | -29.7 | 172.8 | -65.9 | 175.1 | 0 | 0 | 0 | 112.7 | E28 V29 N32 P33 S37 Y38 Y54 | E28-L35 HydrophobicContact CB-CD1 4.44Å; E28-L35 HydrophobicContact CG-CD1 3.64Å; V29-L35 HydrophobicContact CG1-CB 4.15Å; N32-L35 HydrophobicContact CB-CD1 4Å; N32-L35 HydrophobicContact CB-CG 4.14Å; N32-L35 WeakPolarHBondContact O-CB 3.36Å; N32-L35 WeakPolarHBondContact O-CG 3.26Å; N32-L35 PolarHBondContact O-N 2.82Å; P33-L35 PolarHBondContact O-N 3.06Å; P33-L35 VanDerWaalsContact O-N 3.08Å; L35-S37 VanDerWaalsContact C-N 3.27Å; L35-S37 PolarHBondContact O-N 3.02Å; L35-Y38 WeakPolarHBondContact O-CB 3.3Å; L35-Y38 PolarHBondContact O-N 2.86Å; L35-Y54 HydrophobicContact CB-CD2 3.86Å; L35-Y54 HydrophobicContact CB-CE2 3.95Å; L35-Y54 HydrophobicContact CD1-CE2 4.04Å; L35-Y54 WeakPolarHBondContact O-CB 3.34Å |
| 36 | L | 84.4 | Confident | 86.5 | Confident | 26 Ų | 26 | 63.6 Ų | 63.6 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -73.7 | -20.1 | 178.4 | -61.4 | -176.8 | 0 | 0 | 0 | 113.2 | V29 P33 D34 Y54 F193 L200 H202 | V29-L36 HydrophobicContact CB-CD1 4.24Å; V29-L36 HydrophobicContact CB-CD2 3.99Å; V29-L36 HydrophobicContact CB-CG 4Å; V29-L36 HydrophobicContact CG1-CD1 4.47Å; V29-L36 HydrophobicContact CG1-CD2 3.34Å; V29-L36 HydrophobicContact CG1-CG 3.74Å; V29-L36 HydrophobicContact CG2-CD2 4.47Å; P33-L36 WeakPolarHBondContact O-CB 3.01Å; P33-L36 PolarHBondContact O-N 3.28Å; D34-L36 PolarHBondContact O-N 3.11Å; L36-Y54 HydrophobicContact CD2-CD1 3.66Å; L36-Y54 HydrophobicContact CD2-CE1 4.12Å; L36-Y54 HydrophobicContact CD2-CG 4.19Å; L36-F193 HydrophobicContact CD1-CD2 4.4Å; L36-F193 HydrophobicContact CD2-CD2 4.18Å; L36-F193 HydrophobicContact CD2-CE2 3.74Å; L36-L200 HydrophobicContact CD1-CB 3.77Å; L36-L200 HydrophobicContact CD1-CD1 4.21Å; L36-H202 HydrophobicContact CB-CB 4.44Å; L36-H202 HydrophobicContact CD1-CB 4.24Å; L36-H202 HydrophobicContact CD2-CB 3.69Å; L36-H202 HydrophobicContact CG-CB 4.34Å; L36-H202 PolarHBondContact O-CE1 2.71Å; L36-H202 PolarHBondContact O-ND1 2.79Å; L36-H202 VanDerWaalsContact O-ND1 3.11Å |
| 37 | S | 81.6 | Confident | 88.1 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 66% | 0.657 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -84 | -1.8 | 175.4 | 75.5 | 0 | 0 | 0 | 0 | 113.1 | D34 L35 D39 | D34-S37 PolarHBondContact O-N 3.47Å; D34-S37 PolarHBondContact O-OG 3.27Å; L35-S37 VanDerWaalsContact C-N 3.27Å; L35-S37 PolarHBondContact O-N 3.02Å; S37-D39 PolarHBondContact O-N 2.81Å |
| 38 | Y | 80.7 | Confident | 89 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | trans | -68.7 | 101.2 | -177.2 | -168.7 | -94.5 | 0 | 0 | 0 | 110.4 | L35 N40 L52 H53 K253 | L35-Y38 WeakPolarHBondContact O-CB 3.3Å; L35-Y38 PolarHBondContact O-N 2.86Å; Y38-N40 WeakPolarHBondContact CD2-ND2 3.22Å; Y38-N40 HydrophobicContact CE1-CB 4.46Å; Y38-N40 WeakPolarHBondContact CE2-ND2 3.2Å; Y38-L52 HydrophobicContact CE1-CB 3.71Å; Y38-H53 VanDerWaalsContact O-CA 3.26Å; Y38-H53 WeakPolarHBondContact O-CA 3.08Å; Y38-K253 WeakPolarHBondContact OH-CG 3.39Å | ||
| 39 | D | 87.3 | Confident | 89.5 | Confident | 78 Ų | 78 | 60.4 Ų | 60.4 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 100.7 | 169 | 177.2 | 7 | 0 | 0 | 0 | 108.5 | S37 R49 H53 | S37-D39 PolarHBondContact O-N 2.81Å; D39-R49 IonicContact OD1-NH2 3.34Å; D39-R49 IonicContact OD2-NH2 3.26Å; D39-H53 IonicContact OD1-CE1 3.05Å; D39-H53 PolarHBondContact OD1-CE1 3.14Å; D39-H53 IonicContact OD1-ND1 2.61Å; D39-H53 IonicContact OD1-NE2 2.7Å; D39-H53 IonicContact OD2-CE1 3.54Å |
| 40 | N | 91.2 | Very high | 89.9 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 110.7 | -175.5 | -76.3 | -79.8 | 0 | 0 | 0 | 111.6 | Y38 I42 S51 L52 V251 | Y38-N40 WeakPolarHBondContact CD2-ND2 3.22Å; Y38-N40 HydrophobicContact CE1-CB 4.46Å; Y38-N40 WeakPolarHBondContact CE2-ND2 3.2Å; N40-I42 PolarHBondContact O-N 3.31Å; N40-S51 CarbonylContact O-C 3.59Å; N40-S51 WeakPolarHBondContact O-CA 3.18Å; N40-S51 VanDerWaalsContact O-CB 3.29Å; N40-S51 WeakPolarHBondContact O-CB 3.21Å; N40-L52 PolarHBondContact N-O 3.25Å; N40-L52 PolarHBondContact O-N 3.22Å; N40-V251 HydrophobicContact CB-CB 4.33Å; N40-V251 HydrophobicContact CB-CG1 3.74Å |
| 41 | I | 93.5 | Very high | 90.2 | Very high | 64 Ų | 64 | 59.5 Ų | 59.5 | 33% | 0.328 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 106.9 | 177.2 | -55.3 | 175.3 | 0 | 0 | 0 | 110.2 | E44 K250 | I41-E44 HydrophobicContact CG2-CB 3.91Å; I41-K250 PolarHBondContact O-NZ 2.82Å |
| 42 | I | 92.4 | Very high | 90.4 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -46.9 | 176.1 | -67.6 | -178.6 | 0 | 0 | 0 | 110.4 | N40 Y50 L52 C248 K250 V251 D269 | N40-I42 PolarHBondContact O-N 3.31Å; I42-Y50 HydrophobicContact CB-CD1 3.9Å; I42-Y50 HydrophobicContact CD1-CD1 3.82Å; I42-Y50 HydrophobicContact CD1-CE1 3.68Å; I42-Y50 HydrophobicContact CG1-CD1 4.33Å; I42-Y50 HydrophobicContact CG2-CD1 4.17Å; I42-Y50 PolarHBondContact N-O 3.48Å; I42-L52 HydrophobicContact CD1-CD1 3.63Å; I42-L52 HydrophobicContact CD1-CD2 3.84Å; I42-L52 HydrophobicContact CD1-CG 3.44Å; I42-L52 VanDerWaalsContact CD1-CG 3.44Å; I42-L52 HydrophobicContact CG1-CD1 4.48Å; I42-L52 HydrophobicContact CG1-CG 4.15Å; I42-C248 HydrophobicContact CD1-CB 3.86Å; I42-K250 WeakPolarHBondContact O-CD 3.15Å; I42-K250 WeakPolarHBondContact O-CE 3.14Å; I42-K250 PolarHBondContact O-NZ 3.45Å; I42-V251 HydrophobicContact CD1-CG2 4.09Å; I42-V251 HydrophobicContact CG1-CG1 3.91Å; I42-V251 HydrophobicContact CG1-CG2 3.99Å; I42-D269 WeakPolarHBondContact CG2-O 3.47Å |
| 43 | F | 91.9 | Very high | 90.7 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 141 | -179.7 | 179.7 | -105.4 | 0 | 0 | 0 | 110 | N45 Y48 R49 Y50 V272 | F43-N45 HydrophobicContact CE1-CB 4.33Å; F43-N45 HydrophobicContact CZ-CB 4.07Å; F43-Y48 AromaticContact CD1-CD1 3.51Å; F43-Y48 HydrophobicContact CD1-CD1 3.51Å; F43-Y48 AromaticContact CD1-CE1 3.95Å; F43-Y48 HydrophobicContact CD1-CE1 3.95Å; F43-Y48 AromaticContact CE1-CD1 3.81Å; F43-Y48 HydrophobicContact CE1-CD1 3.81Å; F43-Y48 HydrophobicContact CE1-CG 4.49Å; F43-R49 CarbonylContact O-C 3.54Å; F43-R49 WeakPolarHBondContact O-CA 3.35Å; F43-Y50 PolarHBondContact N-O 3.3Å; F43-Y50 VanDerWaalsContact N-O 3.09Å; F43-Y50 PolarHBondContact O-N 3.33Å; F43-V272 HydrophobicContact CB-CB 4.35Å; F43-V272 HydrophobicContact CB-CG2 4.28Å; F43-V272 HydrophobicContact CD1-CB 4.46Å; F43-V272 HydrophobicContact CD1-CG1 4.25Å; F43-V272 HydrophobicContact CD1-CG2 4.18Å; F43-V272 HydrophobicContact CD2-CB 3.79Å; F43-V272 HydrophobicContact CD2-CG1 3.54Å; F43-V272 HydrophobicContact CD2-CG2 4.36Å; F43-V272 HydrophobicContact CE1-CG1 4.19Å; F43-V272 HydrophobicContact CE2-CB 4.23Å; F43-V272 HydrophobicContact CE2-CG1 3.44Å; F43-V272 VanDerWaalsContact CE2-CG1 3.44Å; F43-V272 HydrophobicContact CG-CB 3.94Å; F43-V272 HydrophobicContact CG-CG1 3.97Å; F43-V272 HydrophobicContact CG-CG2 4.01Å; F43-V272 HydrophobicContact CZ-CG1 3.8Å |
| 44 | E | 93.5 | Very high | 91 | Very high | 67 Ų | 67 | 46.3 Ų | 46.3 | 31% | 0.313 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 132 | 176.4 | -164.6 | 176.4 | 92.2 | 0 | 0 | 109.3 | I41 Y48 R49 K209 W210 | I41-E44 HydrophobicContact CG2-CB 3.91Å; E44-Y48 CarbonylContact C-O 3.49Å; E44-Y48 WeakPolarHBondContact CA-O 3.07Å; E44-R49 HydrophobicContact CB-CG 4.37Å; E44-R49 HydrophobicContact CG-CB 4.11Å; E44-R49 HydrophobicContact CG-CG 4.08Å; E44-R49 VanDerWaalsContact OE2-CD 3.24Å; E44-R49 WeakPolarHBondContact OE2-CD 3.17Å; E44-R49 IonicContact OE2-CZ 3.71Å; E44-R49 IonicContact OE2-NE 3.7Å; E44-R49 IonicContact OE2-NH1 3Å; E44-R49 PolarHBondContact OE2-NH1 3.23Å; E44-K209 IonicContact OE1-NZ 2.65Å; E44-K209 PolarHBondContact OE1-NZ 2.7Å; E44-K209 IonicContact OE2-NZ 3.6Å; E44-W210 HydrophobicContact CG-CZ2 3.85Å |
| 45 | N | 93.8 | Very high | 91.2 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | trans | -137.5 | -167.9 | 166.8 | 72.2 | 24.5 | 0 | 0 | 0 | 109.1 | F43 S47 Y48 W210 | F43-N45 HydrophobicContact CE1-CB 4.33Å; F43-N45 HydrophobicContact CZ-CB 4.07Å; N45-S47 PolarHBondContact O-N 3.22Å; N45-S47 PolarHBondContact OD1-N 3.34Å; N45-S47 PolarHBondContact OD1-OG 2.92Å; N45-Y48 PolarHBondContact N-O 3.2Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.41Å; N45-Y48 PolarHBondContact OD1-N 3.42Å; N45-W210 VanDerWaalsContact O-CH2 3.25Å; N45-W210 WeakPolarHBondContact O-CH2 3.31Å | ||
| 46 | D | 94.1 | Very high | 91.7 | Very high | 156 Ų | 156 | 39 Ų | 39 | 83% | 0.834 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -66.4 | -20 | -175.3 | -63 | -24.6 | 0 | 0 | 0 | 115.1 | L62 | D46-L62 WeakPolarHBondContact O-CD1 3.48Š|
| 47 | S | 95.3 | Very high | 92.2 | Very high | 56 Ų | 56 | 37.9 Ų | 37.9 | 39% | 0.392 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -128.8 | -3.9 | -174.2 | 61.4 | 0 | 0 | 0 | 0 | 115.4 | N45 L62 | N45-S47 PolarHBondContact O-N 3.22Å; N45-S47 PolarHBondContact OD1-N 3.34Å; N45-S47 PolarHBondContact OD1-OG 2.92Å; S47-L62 PolarHBondContact O-N 3.04Å |
| 48 | Y | 95.3 | Very high | 92.9 | Very high | 39 Ų | 39 | 33.4 Ų | 33.4 | 15% | 0.153 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 137.1 | -174.2 | -170.1 | -85.9 | 0 | 0 | 0 | 111.7 | F43 E44 N45 R59 I60 R61 W210 D269 | F43-Y48 AromaticContact CD1-CD1 3.51Å; F43-Y48 HydrophobicContact CD1-CD1 3.51Å; F43-Y48 AromaticContact CD1-CE1 3.95Å; F43-Y48 HydrophobicContact CD1-CE1 3.95Å; F43-Y48 AromaticContact CE1-CD1 3.81Å; F43-Y48 HydrophobicContact CE1-CD1 3.81Å; F43-Y48 HydrophobicContact CE1-CG 4.49Å; E44-Y48 CarbonylContact C-O 3.49Å; E44-Y48 WeakPolarHBondContact CA-O 3.07Å; N45-Y48 PolarHBondContact N-O 3.2Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.41Å; N45-Y48 PolarHBondContact OD1-N 3.42Å; Y48-R59 HydrophobicContact CE2-CG 3.9Å; Y48-R59 WeakPolarHBondContact OH-CD 3.38Å; Y48-R59 WeakPolarHBondContact OH-CG 3.02Å; Y48-R59 PolarHBondContact OH-NE 3.11Å; Y48-R59 VanDerWaalsContact OH-NE 3.11Å; Y48-I60 CarbonylContact C-O 3.52Å; Y48-I60 VanDerWaalsContact CA-O 3.32Å; Y48-I60 WeakPolarHBondContact CA-O 3.17Å; Y48-R61 HydrophobicContact CD2-CG 3.69Å; Y48-R61 HydrophobicContact CE2-CG 3.69Å; Y48-W210 VanDerWaalsContact C-CH2 3.5Å; Y48-D269 PolarHBondContact OH-OD1 2.95Å; Y48-D269 PolarHBondContact OH-OD2 3.31Å; Y48-D269 VanDerWaalsContact OH-OD2 3.09Å |
| 49 | R | 95.3 | Very high | 93.6 | Very high | 16 Ų | 16 | 31.5 Ų | 31.5 | 6% | 0.06 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 139.5 | 168.8 | -177.8 | -172.7 | 169.3 | 144 | -16.7 | 110.2 | D39 F43 E44 R59 I60 P207 W210 | D39-R49 IonicContact OD1-NH2 3.34Å; D39-R49 IonicContact OD2-NH2 3.26Å; F43-R49 CarbonylContact O-C 3.54Å; F43-R49 WeakPolarHBondContact O-CA 3.35Å; E44-R49 HydrophobicContact CB-CG 4.37Å; E44-R49 HydrophobicContact CG-CB 4.11Å; E44-R49 HydrophobicContact CG-CG 4.08Å; E44-R49 VanDerWaalsContact OE2-CD 3.24Å; E44-R49 WeakPolarHBondContact OE2-CD 3.17Å; E44-R49 IonicContact OE2-CZ 3.71Å; E44-R49 IonicContact OE2-NE 3.7Å; E44-R49 IonicContact OE2-NH1 3Å; E44-R49 PolarHBondContact OE2-NH1 3.23Å; R49-R59 CarbonylContact O-C 3.53Å; R49-R59 WeakPolarHBondContact O-CA 3.13Å; R49-I60 HydrophobicContact CB-CB 4.11Å; R49-I60 HydrophobicContact CB-CD1 4.49Å; R49-I60 HydrophobicContact CB-CG1 4.35Å; R49-I60 PolarHBondContact N-O 3.07Å; R49-I60 PolarHBondContact O-N 3.36Å; R49-P207 VanDerWaalsContact NH1-CG 3.29Å; R49-W210 HydrophobicContact CB-CH2 4.1Å; R49-W210 HydrophobicContact CB-CZ2 3.68Å |
| 50 | Y | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 127.8 | 166 | -173.8 | -112.9 | 0 | 0 | 0 | 110.2 | I42 F43 L52 S57 M58 R59 D269 | I42-Y50 HydrophobicContact CB-CD1 3.9Å; I42-Y50 HydrophobicContact CD1-CD1 3.82Å; I42-Y50 HydrophobicContact CD1-CE1 3.68Å; I42-Y50 HydrophobicContact CG1-CD1 4.33Å; I42-Y50 HydrophobicContact CG2-CD1 4.17Å; I42-Y50 PolarHBondContact N-O 3.48Å; F43-Y50 PolarHBondContact N-O 3.3Å; F43-Y50 VanDerWaalsContact N-O 3.09Å; F43-Y50 PolarHBondContact O-N 3.33Å; Y50-L52 HydrophobicContact CE1-CD2 3.97Å; Y50-S57 WeakPolarHBondContact OH-CB 3.35Å; Y50-M58 CarbonylContact C-O 3.57Å; Y50-M58 WeakPolarHBondContact CA-O 3.41Å; Y50-R59 HydrophobicContact CD2-CB 4.07Å; Y50-R59 HydrophobicContact CD2-CG 4.48Å; Y50-D269 HydrophobicContact CD1-CB 3.47Å; Y50-D269 VanDerWaalsContact CD1-CB 3.47Å; Y50-D269 HydrophobicContact CD2-CB 4.18Å; Y50-D269 HydrophobicContact CE1-CB 3.67Å; Y50-D269 HydrophobicContact CE2-CB 4.35Å; Y50-D269 HydrophobicContact CG-CB 3.74Å |
| 51 | S | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 155.8 | 177.9 | 63.7 | 0 | 0 | 0 | 0 | 112 | N40 H53 S57 M58 | N40-S51 CarbonylContact O-C 3.59Å; N40-S51 WeakPolarHBondContact O-CA 3.18Å; N40-S51 VanDerWaalsContact O-CB 3.29Å; N40-S51 WeakPolarHBondContact O-CB 3.21Å; S51-H53 PolarHBondContact OG-NE2 3.07Å; S51-S57 CarbonylContact O-C 3.56Å; S51-S57 WeakPolarHBondContact O-CA 3.02Å; S51-M58 PolarHBondContact N-O 3.28Å; S51-M58 PolarHBondContact O-N 2.9Å; S51-M58 WeakPolarHBondContact OG-CE 3.27Å |
| 52 | L | 93.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.9 | 175.3 | -55.5 | -177 | 0 | 0 | 0 | 110.4 | Y38 N40 I42 Y50 I222 V251 I255 | Y38-L52 HydrophobicContact CE1-CB 3.71Å; N40-L52 PolarHBondContact N-O 3.25Å; N40-L52 PolarHBondContact O-N 3.22Å; I42-L52 HydrophobicContact CD1-CD1 3.63Å; I42-L52 HydrophobicContact CD1-CD2 3.84Å; I42-L52 HydrophobicContact CD1-CG 3.44Å; I42-L52 VanDerWaalsContact CD1-CG 3.44Å; I42-L52 HydrophobicContact CG1-CD1 4.48Å; I42-L52 HydrophobicContact CG1-CG 4.15Å; Y50-L52 HydrophobicContact CE1-CD2 3.97Å; L52-I222 HydrophobicContact CD2-CD1 3.71Å; L52-V251 HydrophobicContact CD1-CG2 4.09Å; L52-I255 HydrophobicContact CD1-CG2 3.49Å; L52-I255 VanDerWaalsContact CD1-CG2 3.49Å; L52-I255 HydrophobicContact CD2-CD1 4.21Å; L52-I255 HydrophobicContact CD2-CG2 4.16Å; L52-I255 HydrophobicContact CG-CG2 4.48Å |
| 53 | H | 93.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 172.8 | 178.2 | -58.4 | -84.1 | 0 | 0 | 0 | 110.4 | Y38 D39 S51 H55 Y56 I204 | Y38-H53 VanDerWaalsContact O-CA 3.26Å; Y38-H53 WeakPolarHBondContact O-CA 3.08Å; D39-H53 IonicContact OD1-CE1 3.05Å; D39-H53 PolarHBondContact OD1-CE1 3.14Å; D39-H53 IonicContact OD1-ND1 2.61Å; D39-H53 IonicContact OD1-NE2 2.7Å; D39-H53 IonicContact OD2-CE1 3.54Å; S51-H53 PolarHBondContact OG-NE2 3.07Å; H53-H55 PolarHBondContact O-N 2.78Å; H53-Y56 CarbonylContact C-O 3.57Å; H53-Y56 WeakPolarHBondContact CA-O 3.37Å; H53-Y56 WeakPolarHBondContact CB-O 2.8Å; H53-Y56 PolarHBondContact N-O 3.48Å; H53-Y56 PolarHBondContact O-N 3.03Å; H53-Y56 VanDerWaalsContact O-O 3.11Å; H53-I204 HydrophobicContact CB-CD1 3.49Å; H53-I204 VanDerWaalsContact CB-CD1 3.49Å; H53-I204 HydrophobicContact CB-CG1 3.99Å; H53-I204 HydrophobicContact CB-CG2 4.22Å; H53-I204 VanDerWaalsContact CD2-CG2 3.45Å; H53-I204 WeakPolarHBondContact CD2-CG2 3.29Å; H53-I204 WeakPolarHBondContact NE2-CG2 3.15Å |
| 54 | Y | 91.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -59.5 | 116 | 171.5 | -170 | -115.5 | 0 | 0 | 0 | 110.1 | V29 L35 L36 Y56 Y91 F193 K224 W227 | V29-Y54 HydrophobicContact CG1-CD1 3.95Å; V29-Y54 HydrophobicContact CG1-CD2 4.43Å; V29-Y54 HydrophobicContact CG1-CE1 3.31Å; V29-Y54 HydrophobicContact CG1-CE2 3.86Å; V29-Y54 HydrophobicContact CG1-CG 4.48Å; V29-Y54 WeakPolarHBondContact CG1-OH 3.28Å; L35-Y54 HydrophobicContact CB-CD2 3.86Å; L35-Y54 HydrophobicContact CB-CE2 3.95Å; L35-Y54 HydrophobicContact CD1-CE2 4.04Å; L35-Y54 WeakPolarHBondContact O-CB 3.34Å; L36-Y54 HydrophobicContact CD2-CD1 3.66Å; L36-Y54 HydrophobicContact CD2-CE1 4.12Å; L36-Y54 HydrophobicContact CD2-CG 4.19Å; Y54-Y56 PolarHBondContact O-N 3.46Å; Y54-Y56 VanDerWaalsContact O-N 3.07Å; Y54-Y91 HydrophobicContact CD1-CD1 4.26Å; Y54-Y91 AromaticContact CD1-CE1 3.95Å; Y54-Y91 HydrophobicContact CD1-CE1 3.95Å; Y54-Y91 HydrophobicContact CE1-CD1 4.38Å; Y54-Y91 WeakPolarHBondContact O-CE1 3.4Å; Y54-F193 HydrophobicContact CD1-CZ 4.3Å; Y54-F193 HydrophobicContact CE1-CZ 4.06Å; Y54-K224 PolarHBondContact OH-NZ 3.38Å; Y54-W227 AromaticContact CD2-CH2 3.77Å; Y54-W227 HydrophobicContact CD2-CH2 3.77Å; Y54-W227 AromaticContact CD2-CZ3 3.84Å; Y54-W227 HydrophobicContact CD2-CZ3 3.84Å; Y54-W227 HydrophobicContact CE2-CH2 4.12Å; Y54-W227 AromaticContact CE2-CZ3 3.77Å; Y54-W227 HydrophobicContact CE2-CZ3 3.77Å |
| 55 | H | 91.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 65.5 | -6.2 | -178 | -78.3 | -121.2 | 0 | 0 | 0 | 116.9 | H53 Y91 D92 V221 I222 K224 | H53-H55 PolarHBondContact O-N 2.78Å; H55-Y91 HydrophobicContact CB-CD1 3.55Å; H55-Y91 HydrophobicContact CB-CE1 3.71Å; H55-Y91 AromaticContact CD2-CD1 3.84Å; H55-Y91 AromaticContact CG-CD1 3.61Å; H55-D92 IonicContact CE1-OD1 3.84Å; H55-D92 PolarHBondContact CE1-OD1 3.4Å; H55-D92 IonicContact CE1-OD2 2.96Å; H55-D92 PolarHBondContact CE1-OD2 3.38Å; H55-D92 IonicContact ND1-OD1 3.05Å; H55-D92 IonicContact NE2-OD2 2.71Å; H55-V221 CarbonylContact O-C 3.6Å; H55-V221 WeakPolarHBondContact O-CA 3.23Å; H55-I222 PolarHBondContact O-N 2.9Å; H55-K224 WeakPolarHBondContact CE1-CE 3.39Å; H55-K224 PolarHBondContact CE1-NZ 2.02Å; H55-K224 WeakPolarHBondContact NE2-CE 3.45Å; H55-K224 PolarHBondContact NE2-NZ 3.26Å |
| 56 | Y | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.6 | -174.8 | -76.5 | -85.6 | 0 | 0 | 0 | 110.8 | H53 Y54 F90 Y91 I189 I204 E220 V221 I222 | H53-Y56 CarbonylContact C-O 3.57Å; H53-Y56 WeakPolarHBondContact CA-O 3.37Å; H53-Y56 WeakPolarHBondContact CB-O 2.8Å; H53-Y56 PolarHBondContact N-O 3.48Å; H53-Y56 PolarHBondContact O-N 3.03Å; H53-Y56 VanDerWaalsContact O-O 3.11Å; Y54-Y56 PolarHBondContact O-N 3.46Å; Y54-Y56 VanDerWaalsContact O-N 3.07Å; Y56-F90 WeakPolarHBondContact OH-CD2 3.5Å; Y56-Y91 HydrophobicContact CD2-CE1 4.02Å; Y56-Y91 HydrophobicContact CD2-CE2 4.25Å; Y56-Y91 AromaticContact CD2-CZ 3.78Å; Y56-Y91 HydrophobicContact CE2-CD1 4.28Å; Y56-Y91 AromaticContact CE2-CD2 3.99Å; Y56-Y91 HydrophobicContact CE2-CD2 3.99Å; Y56-Y91 HydrophobicContact CE2-CE1 4.01Å; Y56-Y91 AromaticContact CE2-CE2 3.65Å; Y56-Y91 HydrophobicContact CE2-CE2 3.65Å; Y56-Y91 HydrophobicContact CE2-CG 4.25Å; Y56-Y91 AromaticContact CE2-CZ 3.66Å; Y56-I189 HydrophobicContact CD1-CD1 4.44Å; Y56-I189 HydrophobicContact CD2-CD1 4.04Å; Y56-I189 HydrophobicContact CE2-CD1 4.27Å; Y56-I189 HydrophobicContact CG-CD1 4.13Å; Y56-I204 HydrophobicContact CD2-CD1 4.27Å; Y56-I204 HydrophobicContact CG-CD1 4.43Å; Y56-E220 CarbonylContact C-O 3.6Å; Y56-E220 WeakPolarHBondContact CA-O 3.35Å; Y56-V221 HydrophobicContact CD1-CG2 4.34Å; Y56-V221 HydrophobicContact CE1-CG2 3.62Å; Y56-I222 VanDerWaalsContact C-CD1 3.48Å |
| 57 | S | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 144.1 | 156.8 | 52.2 | 0 | 0 | 0 | 0 | 107.6 | Y50 S51 Y219 E220 I222 | Y50-S57 WeakPolarHBondContact OH-CB 3.35Å; S51-S57 CarbonylContact O-C 3.56Å; S51-S57 WeakPolarHBondContact O-CA 3.02Å; S57-Y219 CarbonylContact O-C 3.53Å; S57-Y219 VanDerWaalsContact O-CA 3.29Å; S57-Y219 WeakPolarHBondContact O-CA 3.49Å; S57-E220 PolarHBondContact N-O 3.28Å; S57-E220 PolarHBondContact O-N 3.02Å; S57-E220 WeakPolarHBondContact OG-CB 3.3Å; S57-E220 PolarHBondContact OG-O 3.05Å; S57-I222 VanDerWaalsContact N-CD1 3.35Å |
| 58 | M | 96.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.6 | 173.2 | -176.7 | -178.2 | 68.1 | 0 | 0 | 108.9 | Y50 S51 I60 V217 E218 Y219 | Y50-M58 CarbonylContact C-O 3.57Å; Y50-M58 WeakPolarHBondContact CA-O 3.41Å; S51-M58 PolarHBondContact N-O 3.28Å; S51-M58 PolarHBondContact O-N 2.9Å; S51-M58 WeakPolarHBondContact OG-CE 3.27Å; M58-I60 HydrophobicContact CE-CD1 3.8Å; M58-I60 HydrophobicContact CE-CG1 4.23Å; M58-I60 HydrophobicContact CG-CG1 4.17Å; M58-I60 HydrophobicContact SD-CD1 4.1Å; M58-I60 HydrophobicContact SD-CG1 4.3Å; M58-V217 HydrophobicContact CG-CG1 3.93Å; M58-V217 HydrophobicContact SD-CG1 4.24Å; M58-E218 WeakPolarHBondContact CA-O 3.15Å; M58-Y219 HydrophobicContact CB-CD1 4.26Å; M58-Y219 HydrophobicContact CB-CE1 4.31Å; M58-Y219 HydrophobicContact CG-CD1 4.24Å; M58-Y219 HydrophobicContact CG-CE1 3.96Å; M58-Y219 HydrophobicContact SD-CE1 3.89Å |
| 59 | R | 95.9 | Very high | 90.4 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.8 | 171.3 | -172.6 | -179.6 | -63.7 | 107.9 | 1.4 | 109.3 | Y48 R49 Y50 R61 V217 E218 E220 D269 | Y48-R59 HydrophobicContact CE2-CG 3.9Å; Y48-R59 WeakPolarHBondContact OH-CD 3.38Å; Y48-R59 WeakPolarHBondContact OH-CG 3.02Å; Y48-R59 PolarHBondContact OH-NE 3.11Å; Y48-R59 VanDerWaalsContact OH-NE 3.11Å; R49-R59 CarbonylContact O-C 3.53Å; R49-R59 WeakPolarHBondContact O-CA 3.13Å; Y50-R59 HydrophobicContact CD2-CB 4.07Å; Y50-R59 HydrophobicContact CD2-CG 4.48Å; R59-R61 HydrophobicContact CG-CG 4.27Å; R59-V217 CarbonylContact O-C 3.57Å; R59-V217 WeakPolarHBondContact O-CA 3.49Å; R59-E218 HydrophobicContact CB-CB 4.38Å; R59-E218 PolarHBondContact N-O 3.46Å; R59-E218 IonicContact NH1-OE2 3.42Å; R59-E218 PolarHBondContact O-N 3.15Å; R59-E220 IonicContact NH1-OE2 3.69Å; R59-D269 IonicContact CZ-OD2 3.91Å; R59-D269 VanDerWaalsContact CZ-OD2 3.26Å; R59-D269 IonicContact NE-OD2 2.75Å; R59-D269 PolarHBondContact NE-OD2 3.03Å; R59-D269 IonicContact NH2-OD2 3.64Å; R59-D269 PolarHBondContact NH2-OD2 2.64Å |
| 60 | I | 97.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.9 | 174.5 | -48.5 | -175.1 | 0 | 0 | 0 | 109 | Y48 R49 M58 V206 W210 T215 L216 V217 | Y48-I60 CarbonylContact C-O 3.52Å; Y48-I60 VanDerWaalsContact CA-O 3.32Å; Y48-I60 WeakPolarHBondContact CA-O 3.17Å; R49-I60 HydrophobicContact CB-CB 4.11Å; R49-I60 HydrophobicContact CB-CD1 4.49Å; R49-I60 HydrophobicContact CB-CG1 4.35Å; R49-I60 PolarHBondContact N-O 3.07Å; R49-I60 PolarHBondContact O-N 3.36Å; M58-I60 HydrophobicContact CE-CD1 3.8Å; M58-I60 HydrophobicContact CE-CG1 4.23Å; M58-I60 HydrophobicContact CG-CG1 4.17Å; M58-I60 HydrophobicContact SD-CD1 4.1Å; M58-I60 HydrophobicContact SD-CG1 4.3Å; I60-V206 HydrophobicContact CD1-CG1 4.32Å; I60-W210 HydrophobicContact CB-CD2 4.26Å; I60-W210 HydrophobicContact CB-CE3 4.13Å; I60-W210 HydrophobicContact CD1-CB 4.04Å; I60-W210 HydrophobicContact CD1-CD2 4.13Å; I60-W210 HydrophobicContact CD1-CG 3.72Å; I60-W210 HydrophobicContact CG2-CB 3.94Å; I60-W210 HydrophobicContact CG2-CD2 3.69Å; I60-W210 HydrophobicContact CG2-CE3 3.36Å; I60-W210 HydrophobicContact CG2-CG 3.93Å; I60-W210 HydrophobicContact CG2-CZ3 4.11Å; I60-T215 HydrophobicContact CG2-CG2 3.59Å; I60-L216 CarbonylContact C-O 3.57Å; I60-L216 WeakPolarHBondContact CA-O 3.45Å; I60-V217 HydrophobicContact CD1-CG2 4.46Å; I60-V217 HydrophobicContact CG1-CG1 4.29Å; I60-V217 HydrophobicContact CG1-CG2 4.15Å; I60-V217 HydrophobicContact CG2-CG2 4.13Å |
| 61 | R | 96.6 | Very high | 86.9 | Confident | 63 Ų | 63 | 46.9 Ų | 46.9 | 24% | 0.238 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 130.5 | 178.2 | -63.1 | -175.7 | -82.1 | 160.8 | -10.3 | 110.1 | Y48 R59 Q64 T215 L216 E218 | Y48-R61 HydrophobicContact CD2-CG 3.69Å; Y48-R61 HydrophobicContact CE2-CG 3.69Å; R59-R61 HydrophobicContact CG-CG 4.27Å; R61-Q64 HydrophobicContact CB-CG 3.69Å; R61-T215 WeakPolarHBondContact O-CA 3.42Å; R61-L216 PolarHBondContact N-O 3.25Å; R61-L216 PolarHBondContact O-N 3.28Å; R61-E218 IonicContact CZ-OE2 2.7Å; R61-E218 IonicContact NE-OE2 3.82Å; R61-E218 PolarHBondContact NE-OE2 3.46Å; R61-E218 IonicContact NH2-OE1 2.75Å; R61-E218 PolarHBondContact NH2-OE1 2.94Å; R61-E218 IonicContact NH2-OE2 3.98Å; R61-E218 PolarHBondContact NH2-OE2 2.9Å |
| 62 | L | 96.4 | Very high | 85.8 | Confident | 14 Ų | 14 | 49.5 Ų | 49.5 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -85.9 | 167.6 | 172 | -59 | -173.8 | 0 | 0 | 0 | 111.9 | D46 S47 Q64 W210 K212 G214 T215 | D46-L62 WeakPolarHBondContact O-CD1 3.48Å; S47-L62 PolarHBondContact O-N 3.04Å; L62-Q64 PolarHBondContact O-N 3.08Å; L62-Q64 PolarHBondContact O-NE2 3.1Å; L62-W210 HydrophobicContact CD1-CE3 4.48Å; L62-W210 HydrophobicContact CD1-CZ3 4.19Å; L62-W210 HydrophobicContact CD2-CE3 3.68Å; L62-W210 HydrophobicContact CD2-CZ3 4.05Å; L62-W210 HydrophobicContact CG-CE3 3.98Å; L62-W210 HydrophobicContact CG-CZ3 3.8Å; L62-K212 HydrophobicContact CD2-CD 4.44Å; L62-K212 HydrophobicContact CD2-CG 4.28Å; L62-G214 CarbonylContact C-O 3.58Å; L62-T215 HydrophobicContact CD2-CG2 4.12Å; L62-T215 WeakPolarHBondContact CD2-OG1 2.9Å |
| 63 | N | 93.6 | Very high | 84.7 | Confident | 143 Ų | 143 | 52 Ų | 52 | 77% | 0.765 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 55.2 | 33.4 | 172.8 | -53.7 | -33.6 | 0 | 0 | 0 | 113.4 | G214 | N63-G214 PolarHBondContact N-O 3.3Å; N63-G214 VanDerWaalsContact N-O 3.08Å |
| 64 | Q | 94.2 | Very high | 83.7 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 148.4 | 175.9 | -58.6 | -56.2 | -77.5 | 0 | 0 | 110.1 | R61 L62 Y172 G214 L216 | R61-Q64 HydrophobicContact CB-CG 3.69Å; L62-Q64 PolarHBondContact O-N 3.08Å; L62-Q64 PolarHBondContact O-NE2 3.1Å; Q64-Y172 HydrophobicContact CB-CE2 4.33Å; Q64-Y172 PolarHBondContact O-OH 2.87Å; Q64-Y172 VanDerWaalsContact O-OH 3.11Å; Q64-G214 PolarHBondContact N-O 2.92Å; Q64-L216 HydrophobicContact CB-CB 3.91Å; Q64-L216 HydrophobicContact CG-CB 3.6Å; Q64-L216 HydrophobicContact CG-CD2 4.18Å |
| 65 | S | 88.3 | Confident | 82.8 | Confident | 103 Ų | 103 | 66 Ų | 66 | 72% | 0.72 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 155.7 | 173 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | L67 | S65-L67 PolarHBondContact O-N 2.67Š|
| 66 | Q | 78.5 | Confident | 81.5 | Confident | 91 Ų | 91 | 68.1 Ų | 68.1 | 43% | 0.425 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 138.1 | 174.1 | 177.5 | 165.5 | 22.7 | 0 | 0 | 111.1 | A68 Y172 D174 | Q66-A68 PolarHBondContact O-N 3.35Å; Q66-Y172 VanDerWaalsContact CA-CE1 3.43Å; Q66-Y172 HydrophobicContact CB-CE1 3.71Å; Q66-Y172 HydrophobicContact CG-CD1 4.43Å; Q66-Y172 HydrophobicContact CG-CE1 3.96Å; Q66-Y172 PolarHBondContact N-OH 3.31Å; Q66-D174 PolarHBondContact NE2-OD1 3.34Å |
| 67 | L | 78 | Confident | 80.2 | Confident | 52 Ų | 52 | 73.3 Ų | 73.3 | 27% | 0.272 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 117.4 | 169.8 | -62.1 | 174.8 | 0 | 0 | 0 | 108.8 | S65 F69 V162 T170 L216 | S65-L67 PolarHBondContact O-N 2.67Å; L67-F69 HydrophobicContact CB-CD2 4.25Å; L67-F69 HydrophobicContact CB-CE1 4.45Å; L67-F69 HydrophobicContact CB-CE2 3.36Å; L67-F69 HydrophobicContact CB-CZ 3.48Å; L67-F69 VanDerWaalsContact CB-CZ 3.48Å; L67-F69 HydrophobicContact CD1-CE2 4.34Å; L67-F69 HydrophobicContact CD1-CZ 3.92Å; L67-F69 HydrophobicContact CG-CE2 4.5Å; L67-F69 HydrophobicContact CG-CZ 4.33Å; L67-F69 VanDerWaalsContact O-CD2 3.23Å; L67-F69 WeakPolarHBondContact O-CD2 3.03Å; L67-F69 WeakPolarHBondContact O-CE2 3.42Å; L67-V162 HydrophobicContact CD1-CG2 3.81Å; L67-T170 HydrophobicContact CD1-CG2 4.07Å; L67-L216 HydrophobicContact CD1-CD1 4.4Å |
| 68 | A | 68.7 | Low | 79 | Confident | 101 Ų | 101 | 76.1 Ų | 76.1 | 84% | 0.835 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 121.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q66 | Q66-A68 PolarHBondContact O-N 3.35Š|
| 69 | F | 69.4 | Low | 77.8 | Confident | 37 Ų | 37 | 79.7 Ų | 79.7 | 16% | 0.162 | 43% | 0.429 | C | S | . | . | trans | -123.2 | 137.5 | 172.3 | -54.8 | -80 | 0 | 0 | 0 | 108.7 | L67 D71 Y73 L139 A141 T160 V162 | L67-F69 HydrophobicContact CB-CD2 4.25Å; L67-F69 HydrophobicContact CB-CE1 4.45Å; L67-F69 HydrophobicContact CB-CE2 3.36Å; L67-F69 HydrophobicContact CB-CZ 3.48Å; L67-F69 VanDerWaalsContact CB-CZ 3.48Å; L67-F69 HydrophobicContact CD1-CE2 4.34Å; L67-F69 HydrophobicContact CD1-CZ 3.92Å; L67-F69 HydrophobicContact CG-CE2 4.5Å; L67-F69 HydrophobicContact CG-CZ 4.33Å; L67-F69 VanDerWaalsContact O-CD2 3.23Å; L67-F69 WeakPolarHBondContact O-CD2 3.03Å; L67-F69 WeakPolarHBondContact O-CE2 3.42Å; F69-D71 PolarHBondContact O-N 2.98Å; F69-Y73 HydrophobicContact CB-CE2 3.96Å; F69-Y73 WeakPolarHBondContact CB-OH 3.3Å; F69-Y73 WeakPolarHBondContact CD2-OH 3.46Å; F69-Y73 VanDerWaalsContact CG-OH 3.28Å; F69-Y73 WeakPolarHBondContact CG-OH 3.32Å; F69-L139 HydrophobicContact CD1-CD1 4.02Å; F69-L139 HydrophobicContact CD1-CD2 4.23Å; F69-L139 HydrophobicContact CE1-CD1 3.73Å; F69-L139 HydrophobicContact CE1-CD2 3.77Å; F69-L139 HydrophobicContact CE1-CG 4.45Å; F69-A141 HydrophobicContact CE1-CB 4.2Å; F69-A141 HydrophobicContact CE2-CB 4.46Å; F69-A141 HydrophobicContact CZ-CB 4.15Å; F69-T160 HydrophobicContact CE2-CG2 4.01Å; F69-V162 HydrophobicContact CE1-CG2 4.37Å; F69-V162 HydrophobicContact CE2-CG2 4.45Å; F69-V162 HydrophobicContact CZ-CG2 3.62Å | ||
| 70 | N | 60.6 | Low | 77 | Confident | 146 Ų | 146 | 82.2 Ų | 82.2 | 78% | 0.781 | 44% | 0.44 | S | S | * | . | trans | -66.9 | 132.4 | 175.6 | -74.5 | -14 | 0 | 0 | 0 | 109.9 | S72 | N70-S72 VanDerWaalsContact C-N 3.28Å; N70-S72 PolarHBondContact O-N 3.23Å; N70-S72 PolarHBondContact O-OG 3.07Å | ||
| 71 | D | 56.8 | Low | 76.6 | Confident | 159 Ų | 159 | 87.6 Ų | 87.6 | 85% | 0.85 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -60.8 | 70.8 | -169.2 | -70.6 | -43.3 | 0 | 0 | 0 | 115.2 | F69 | F69-D71 PolarHBondContact O-N 2.98Š|
| 72 | S | 70.6 | Confident | 76.3 | Confident | 55 Ų | 55 | 85.3 Ų | 85.3 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | trans | -125.1 | 22.8 | 172.3 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | N70 R74 F134 | N70-S72 VanDerWaalsContact C-N 3.28Å; N70-S72 PolarHBondContact O-N 3.23Å; N70-S72 PolarHBondContact O-OG 3.07Å; S72-R74 PolarHBondContact O-N 3.02Å; S72-F134 WeakPolarHBondContact OG-CD2 3.23Å; S72-F134 WeakPolarHBondContact OG-CE2 3.28Å | ||
| 73 | Y | 71.5 | Confident | 76.2 | Confident | 53 Ų | 53 | 91.3 Ų | 91.3 | 21% | 0.208 | 48% | 0.48 | C | S | . | . | trans | -56.7 | 133.3 | 169.3 | -75.6 | -70.2 | 0 | 0 | 0 | 111.2 | F69 V132 F134 A141 K143 | F69-Y73 HydrophobicContact CB-CE2 3.96Å; F69-Y73 WeakPolarHBondContact CB-OH 3.3Å; F69-Y73 WeakPolarHBondContact CD2-OH 3.46Å; F69-Y73 VanDerWaalsContact CG-OH 3.28Å; F69-Y73 WeakPolarHBondContact CG-OH 3.32Å; Y73-V132 HydrophobicContact CD1-CB 4.06Å; Y73-V132 HydrophobicContact CD1-CG2 3.5Å; Y73-V132 HydrophobicContact CE1-CG2 4.11Å; Y73-V132 HydrophobicContact CG-CB 4.28Å; Y73-V132 HydrophobicContact CG-CG2 3.77Å; Y73-F134 HydrophobicContact CD1-CB 3.74Å; Y73-F134 HydrophobicContact CE1-CB 3.62Å; Y73-A141 HydrophobicContact CE1-CB 4.47Å; Y73-K143 HydrophobicContact CE1-CB 4.31Å | ||
| 74 | R | 73.1 | Confident | 76.3 | Confident | 167 Ų | 167 | 84.9 Ų | 84.9 | 63% | 0.63 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.4 | 175.5 | -61.9 | -176 | -172.7 | -142.6 | 1.2 | 110.1 | S72 F76 V133 | S72-R74 PolarHBondContact O-N 3.02Å; R74-F76 HydrophobicContact CB-CD2 4.19Å; R74-F76 HydrophobicContact CB-CE2 3.53Å; R74-F76 HydrophobicContact CB-CZ 3.74Å; R74-F76 HydrophobicContact CG-CZ 4.49Å; R74-F76 WeakPolarHBondContact O-CD2 3.39Å; R74-V133 PolarHBondContact N-O 3.2Å; R74-V133 PolarHBondContact O-N 3.44Å; R74-V133 VanDerWaalsContact O-N 3.12Å |
| 75 | N | 71 | Confident | 76.3 | Confident | 135 Ų | 135 | 87.1 Ų | 87.1 | 72% | 0.722 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 130.3 | 165 | -67.3 | -14.4 | 0 | 0 | 0 | 107.8 | V132 | N75-V132 WeakPolarHBondContact OD1-CG1 3.06Å |
| 76 | F | 66.1 | Low | 76.7 | Confident | 49 Ų | 49 | 83.2 Ų | 83.2 | 22% | 0.215 | 43% | 0.425 | C | S | . | . | trans | -118.5 | 145 | 174.4 | -70 | -79.3 | 0 | 0 | 0 | 110.1 | R74 F78 Y80 V133 | R74-F76 HydrophobicContact CB-CD2 4.19Å; R74-F76 HydrophobicContact CB-CE2 3.53Å; R74-F76 HydrophobicContact CB-CZ 3.74Å; R74-F76 HydrophobicContact CG-CZ 4.49Å; R74-F76 WeakPolarHBondContact O-CD2 3.39Å; F76-F78 WeakPolarHBondContact O-CD2 3.04Å; F76-F78 VanDerWaalsContact O-CE2 3.3Å; F76-F78 WeakPolarHBondContact O-CE2 3.41Å; F76-F78 PolarHBondContact O-N 3.2Å; F76-Y80 HydrophobicContact CB-CD1 4Å; F76-Y80 HydrophobicContact CB-CD2 3.84Å; F76-Y80 HydrophobicContact CB-CE1 4.48Å; F76-Y80 HydrophobicContact CB-CE2 4.35Å; F76-Y80 HydrophobicContact CB-CG 3.67Å; F76-Y80 HydrophobicContact CD1-CD1 4.12Å; F76-Y80 AromaticContact CD1-CD2 3.67Å; F76-Y80 HydrophobicContact CD1-CD2 3.67Å; F76-Y80 AromaticContact CD1-CE1 3.77Å; F76-Y80 HydrophobicContact CD1-CE1 3.77Å; F76-Y80 AromaticContact CD1-CE2 3.28Å; F76-Y80 HydrophobicContact CD1-CE2 3.28Å; F76-Y80 HydrophobicContact CD1-CG 4.1Å; F76-Y80 AromaticContact CD1-CZ 3.34Å; F76-Y80 AromaticContact CD2-CD1 3.85Å; F76-Y80 HydrophobicContact CD2-CD1 3.85Å; F76-Y80 AromaticContact CD2-CE1 3.73Å; F76-Y80 HydrophobicContact CD2-CE1 3.73Å; F76-Y80 HydrophobicContact CD2-CG 4.39Å; F76-Y80 HydrophobicContact CE1-CD2 4.42Å; F76-Y80 AromaticContact CE1-CE1 3.8Å; F76-Y80 HydrophobicContact CE1-CE1 3.8Å; F76-Y80 AromaticContact CE1-CE2 3.61Å; F76-Y80 HydrophobicContact CE1-CE2 3.61Å; F76-Y80 AromaticContact CE1-CZ 3.25Å; F76-Y80 WeakPolarHBondContact CE1-OH 3.36Å; F76-Y80 HydrophobicContact CE2-CD1 4.33Å; F76-Y80 AromaticContact CE2-CE1 3.75Å; F76-Y80 HydrophobicContact CE2-CE1 3.75Å; F76-Y80 AromaticContact CG-CD1 3.72Å; F76-Y80 HydrophobicContact CG-CD1 3.72Å; F76-Y80 AromaticContact CG-CD2 3.85Å; F76-Y80 HydrophobicContact CG-CD2 3.85Å; F76-Y80 AromaticContact CG-CE1 3.72Å; F76-Y80 HydrophobicContact CG-CE1 3.72Å; F76-Y80 AromaticContact CG-CE2 3.87Å; F76-Y80 HydrophobicContact CG-CE2 3.87Å; F76-Y80 AromaticContact CG-CG 3.81Å; F76-Y80 HydrophobicContact CG-CG 3.81Å; F76-Y80 AromaticContact CG-CZ 3.82Å; F76-Y80 AromaticContact CZ-CE1 3.78Å; F76-Y80 HydrophobicContact CZ-CE1 3.78Å; F76-Y80 HydrophobicContact CZ-CE2 4.42Å; F76-Y80 AromaticContact CZ-CZ 3.65Å; F76-Y80 WeakPolarHBondContact CZ-OH 3.24Å; F76-V133 HydrophobicContact CD2-CB 3.96Å; F76-V133 HydrophobicContact CD2-CG2 4.23Å; F76-V133 HydrophobicContact CE2-CB 3.94Å | ||
| 77 | P | 67 | Low | 77.5 | Confident | 108 Ų | 108 | 83.2 Ų | 83.2 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 131.7 | 166.7 | 27.9 | -31.9 | 0 | 0 | 0 | 108.8 | P79 | P77-P79 CarbonylContact O-C 3.36Š|
| 78 | F | 68.9 | Low | 78.4 | Confident | 60 Ų | 60 | 81.1 Ų | 81.1 | 26% | 0.263 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -92 | 147.3 | 179 | -72.2 | -73.4 | 0 | 0 | 0 | 111.6 | F76 I100 T131 | F76-F78 WeakPolarHBondContact O-CD2 3.04Å; F76-F78 VanDerWaalsContact O-CE2 3.3Å; F76-F78 WeakPolarHBondContact O-CE2 3.41Å; F76-F78 PolarHBondContact O-N 3.2Å; F78-I100 HydrophobicContact CD1-CG2 4.27Å; F78-I100 WeakPolarHBondContact CD1-O 3.41Å; F78-I100 HydrophobicContact CE1-CB 3.97Å; F78-I100 HydrophobicContact CE1-CG2 3.54Å; F78-I100 HydrophobicContact CZ-CG2 4.44Å; F78-T131 HydrophobicContact CE1-CG2 3.95Å; F78-T131 HydrophobicContact CE2-CG2 4.29Å; F78-T131 HydrophobicContact CZ-CG2 3.43Å; F78-T131 VanDerWaalsContact CZ-CG2 3.43Å |
| 79 | P | 70.4 | Confident | 79.6 | Confident | 75 Ų | 75 | 83 Ų | 83 | 49% | 0.487 | 41% | 0.409 | S | S | . | . | S | Bend | cis | -74.6 | 152.4 | -5.8 | 32.2 | -35.3 | 0 | 0 | 0 | 113.1 | P77 Y99 | P77-P79 CarbonylContact O-C 3.36Å; P79-Y99 HydrophobicContact CB-CE1 3.76Å; P79-Y99 HydrophobicContact CB-CE2 3.59Å; P79-Y99 WeakPolarHBondContact CB-OH 2.97Å; P79-Y99 HydrophobicContact CG-CE2 4.02Å; P79-Y99 WeakPolarHBondContact CG-OH 3.25Å |
| 80 | Y | 80.4 | Confident | 80.8 | Confident | 59 Ų | 59 | 81.4 Ų | 81.4 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 120.8 | -176.4 | -174.8 | -121.9 | 0 | 0 | 0 | 111.2 | F76 F82 Y99 I100 | F76-Y80 HydrophobicContact CB-CD1 4Å; F76-Y80 HydrophobicContact CB-CD2 3.84Å; F76-Y80 HydrophobicContact CB-CE1 4.48Å; F76-Y80 HydrophobicContact CB-CE2 4.35Å; F76-Y80 HydrophobicContact CB-CG 3.67Å; F76-Y80 HydrophobicContact CD1-CD1 4.12Å; F76-Y80 AromaticContact CD1-CD2 3.67Å; F76-Y80 HydrophobicContact CD1-CD2 3.67Å; F76-Y80 AromaticContact CD1-CE1 3.77Å; F76-Y80 HydrophobicContact CD1-CE1 3.77Å; F76-Y80 AromaticContact CD1-CE2 3.28Å; F76-Y80 HydrophobicContact CD1-CE2 3.28Å; F76-Y80 HydrophobicContact CD1-CG 4.1Å; F76-Y80 AromaticContact CD1-CZ 3.34Å; F76-Y80 AromaticContact CD2-CD1 3.85Å; F76-Y80 HydrophobicContact CD2-CD1 3.85Å; F76-Y80 AromaticContact CD2-CE1 3.73Å; F76-Y80 HydrophobicContact CD2-CE1 3.73Å; F76-Y80 HydrophobicContact CD2-CG 4.39Å; F76-Y80 HydrophobicContact CE1-CD2 4.42Å; F76-Y80 AromaticContact CE1-CE1 3.8Å; F76-Y80 HydrophobicContact CE1-CE1 3.8Å; F76-Y80 AromaticContact CE1-CE2 3.61Å; F76-Y80 HydrophobicContact CE1-CE2 3.61Å; F76-Y80 AromaticContact CE1-CZ 3.25Å; F76-Y80 WeakPolarHBondContact CE1-OH 3.36Å; F76-Y80 HydrophobicContact CE2-CD1 4.33Å; F76-Y80 AromaticContact CE2-CE1 3.75Å; F76-Y80 HydrophobicContact CE2-CE1 3.75Å; F76-Y80 AromaticContact CG-CD1 3.72Å; F76-Y80 HydrophobicContact CG-CD1 3.72Å; F76-Y80 AromaticContact CG-CD2 3.85Å; F76-Y80 HydrophobicContact CG-CD2 3.85Å; F76-Y80 AromaticContact CG-CE1 3.72Å; F76-Y80 HydrophobicContact CG-CE1 3.72Å; F76-Y80 AromaticContact CG-CE2 3.87Å; F76-Y80 HydrophobicContact CG-CE2 3.87Å; F76-Y80 AromaticContact CG-CG 3.81Å; F76-Y80 HydrophobicContact CG-CG 3.81Å; F76-Y80 AromaticContact CG-CZ 3.82Å; F76-Y80 AromaticContact CZ-CE1 3.78Å; F76-Y80 HydrophobicContact CZ-CE1 3.78Å; F76-Y80 HydrophobicContact CZ-CE2 4.42Å; F76-Y80 AromaticContact CZ-CZ 3.65Å; F76-Y80 WeakPolarHBondContact CZ-OH 3.24Å; Y80-F82 AromaticContact CD1-CD1 3.21Å; Y80-F82 HydrophobicContact CD1-CD1 3.21Å; Y80-F82 AromaticContact CD1-CE1 3.56Å; Y80-F82 HydrophobicContact CD1-CE1 3.56Å; Y80-F82 HydrophobicContact CD1-CG 4.21Å; Y80-F82 HydrophobicContact CE1-CB 3.93Å; Y80-F82 AromaticContact CE1-CD1 3.07Å; Y80-F82 HydrophobicContact CE1-CD1 3.07Å; Y80-F82 AromaticContact CE1-CE1 3.65Å; Y80-F82 HydrophobicContact CE1-CE1 3.65Å; Y80-F82 AromaticContact CE1-CG 3.64Å; Y80-F82 HydrophobicContact CE1-CG 3.64Å; Y80-F82 HydrophobicContact CG-CD1 4.17Å; Y80-F82 AromaticContact CZ-CD1 3.96Å; Y80-Y99 WeakPolarHBondContact O-CA 3.36Å; Y80-I100 PolarHBondContact N-O 2.03Å; Y80-I100 PolarHBondContact O-N 3Å |
| 81 | F | 87.7 | Confident | 82.4 | Confident | 113 Ų | 113 | 74.9 Ų | 74.9 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.1 | 178.3 | 179.9 | -95.3 | 0 | 0 | 0 | 109.5 | D97 Y99 | F81-D97 HydrophobicContact CD2-CB 4.23Å; F81-D97 HydrophobicContact CE1-CB 4.13Å; F81-D97 WeakPolarHBondContact CE1-OD1 3.35Å; F81-D97 HydrophobicContact CE2-CB 3.34Å; F81-D97 HydrophobicContact CZ-CB 3.3Å; F81-D97 VanDerWaalsContact CZ-OD1 3.3Å; F81-D97 WeakPolarHBondContact CZ-OD1 2.92Å; F81-D97 WeakPolarHBondContact CZ-OD2 3.38Å; F81-Y99 HydrophobicContact CB-CD2 3.89Å; F81-Y99 HydrophobicContact CB-CE2 4.47Å; F81-Y99 HydrophobicContact CD2-CD2 4.07Å; F81-Y99 HydrophobicContact CG-CD2 4.49Å |
| 82 | F | 91.5 | Very high | 83.8 | Confident | 15 Ų | 15 | 70.9 Ų | 70.9 | 7% | 0.066 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 157.6 | 176.3 | 63.4 | -83.3 | 0 | 0 | 0 | 112.5 | Y80 V98 I100 V133 N135 L140 | Y80-F82 AromaticContact CD1-CD1 3.21Å; Y80-F82 HydrophobicContact CD1-CD1 3.21Å; Y80-F82 AromaticContact CD1-CE1 3.56Å; Y80-F82 HydrophobicContact CD1-CE1 3.56Å; Y80-F82 HydrophobicContact CD1-CG 4.21Å; Y80-F82 HydrophobicContact CE1-CB 3.93Å; Y80-F82 AromaticContact CE1-CD1 3.07Å; Y80-F82 HydrophobicContact CE1-CD1 3.07Å; Y80-F82 AromaticContact CE1-CE1 3.65Å; Y80-F82 HydrophobicContact CE1-CE1 3.65Å; Y80-F82 AromaticContact CE1-CG 3.64Å; Y80-F82 HydrophobicContact CE1-CG 3.64Å; Y80-F82 HydrophobicContact CG-CD1 4.17Å; Y80-F82 AromaticContact CZ-CD1 3.96Å; F82-V98 HydrophobicContact CE1-CG1 4.37Å; F82-V98 HydrophobicContact CE2-CB 4.36Å; F82-V98 HydrophobicContact CZ-CB 4.18Å; F82-V98 HydrophobicContact CZ-CG1 4.09Å; F82-V98 PolarHBondContact N-O 3.25Å; F82-V98 PolarHBondContact O-N 2.77Å; F82-I100 HydrophobicContact CE1-CD1 4.24Å; F82-I100 HydrophobicContact CE1-CG1 3.71Å; F82-I100 HydrophobicContact CZ-CD1 4.49Å; F82-I100 HydrophobicContact CZ-CG1 4.4Å; F82-V133 HydrophobicContact CE1-CG1 4.31Å; F82-V133 HydrophobicContact CZ-CG1 4.07Å; F82-N135 WeakPolarHBondContact CD2-ND2 3.19Å; F82-N135 HydrophobicContact CE2-CB 4.03Å; F82-N135 WeakPolarHBondContact CE2-ND2 3.46Å; F82-L140 HydrophobicContact CE2-CD1 3.85Å; F82-L140 HydrophobicContact CE2-CD2 3.93Å; F82-L140 HydrophobicContact CZ-CD1 3.57Å; F82-L140 HydrophobicContact CZ-CD2 3.81Å; F82-L140 HydrophobicContact CZ-CG 4.37Å |
| 83 | K | 93.9 | Very high | 84.9 | Confident | 139 Ų | 139 | 69.8 Ų | 69.8 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | trans | -81.1 | 125.9 | 167.9 | -177.5 | 154.7 | -171.4 | 160.9 | 0 | 110.6 | D96 N135 | K83-D96 WeakPolarHBondContact CG-O 3.46Å; K83-N135 PolarHBondContact O-ND2 3.35Å | ||
| 84 | P | 95.1 | Very high | 86 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | trans | -54.1 | 144.1 | 169.7 | -24.7 | 34.4 | 0 | 0 | 0 | 111.2 | F86 F88 V98 | P84-F86 PolarHBondContact O-N 2.85Å; P84-F88 HydrophobicContact CB-CE1 4.17Å; P84-F88 HydrophobicContact CG-CE1 3.8Å; P84-V98 HydrophobicContact CG-CB 4.35Å; P84-V98 HydrophobicContact CG-CG2 3.53Å | ||
| 85 | K | 94.9 | Very high | 87.1 | Confident | 105 Ų | 105 | 63 Ų | 63 | 46% | 0.457 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -73.6 | -4.6 | 179.3 | -66.8 | -160.3 | -165 | 162.6 | 0 | 114 | N135 E136 N137 | K85-N135 VanDerWaalsContact CD-O 3.3Å; K85-N135 WeakPolarHBondContact CD-O 3.29Å; K85-N135 WeakPolarHBondContact CE-O 3.44Å; K85-N135 PolarHBondContact N-OD1 3.28Å; K85-N135 VanDerWaalsContact N-OD1 3.07Å; K85-N135 PolarHBondContact NZ-O 2.8Å; K85-E136 IonicContact NZ-OE1 2.81Å; K85-E136 PolarHBondContact NZ-OE1 3.08Å; K85-E136 IonicContact NZ-OE2 2.7Å; K85-E136 PolarHBondContact NZ-OE2 2.88Å; K85-N137 PolarHBondContact O-OD1 2.72Å |
| 86 | F | 96.4 | Very high | 88.2 | Confident | 21 Ų | 21 | 57.7 Ų | 57.7 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -130.4 | 157 | 176.8 | 57 | -87.7 | 0 | 0 | 0 | 110.2 | P84 F88 E136 L139 L140 I163 P165 | P84-F86 PolarHBondContact O-N 2.85Å; F86-F88 HydrophobicContact CD2-CB 4.01Å; F86-F88 AromaticContact CD2-CD1 3.87Å; F86-F88 HydrophobicContact CD2-CD1 3.87Å; F86-F88 HydrophobicContact CD2-CG 4.34Å; F86-F88 HydrophobicContact CE2-CB 3.87Å; F86-F88 AromaticContact CE2-CD1 3.39Å; F86-F88 HydrophobicContact CE2-CD1 3.39Å; F86-F88 HydrophobicContact CE2-CE1 4.15Å; F86-F88 AromaticContact CE2-CG 3.86Å; F86-F88 HydrophobicContact CE2-CG 3.86Å; F86-F88 HydrophobicContact CZ-CD1 4.26Å; F86-E136 WeakPolarHBondContact CD1-O 3.4Å; F86-L139 VanDerWaalsContact CE1-C 3.45Å; F86-L140 HydrophobicContact CE1-CB 3.94Å; F86-L140 HydrophobicContact CZ-CB 3.93Å; F86-I163 HydrophobicContact CE2-CG2 4.38Å; F86-I163 HydrophobicContact CZ-CG2 4.35Å; F86-I163 WeakPolarHBondContact CZ-O 3.45Å; F86-P165 HydrophobicContact CB-CB 4.42Å; F86-P165 HydrophobicContact CB-CG 4.06Å; F86-P165 HydrophobicContact CD1-CG 4.39Å; F86-P165 HydrophobicContact CD2-CB 3.88Å; F86-P165 HydrophobicContact CD2-CG 3.73Å; F86-P165 HydrophobicContact CE2-CB 4.5Å; F86-P165 HydrophobicContact CE2-CG 4.24Å; F86-P165 HydrophobicContact CG-CB 4.3Å; F86-P165 HydrophobicContact CG-CG 3.79Å |
| 87 | S | 95.9 | Very high | 89.5 | Confident | 91 Ų | 91 | 57.3 Ų | 57.3 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | trans | -86.8 | 132.2 | 170.4 | -64.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 88 | F | 96 | Very high | 90.9 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | trans | -142.8 | 160.5 | 171.4 | 73.8 | -81.6 | 0 | 0 | 0 | 110.4 | P84 F86 I95 V98 L108 I163 P165 | P84-F88 HydrophobicContact CB-CE1 4.17Å; P84-F88 HydrophobicContact CG-CE1 3.8Å; F86-F88 HydrophobicContact CD2-CB 4.01Å; F86-F88 AromaticContact CD2-CD1 3.87Å; F86-F88 HydrophobicContact CD2-CD1 3.87Å; F86-F88 HydrophobicContact CD2-CG 4.34Å; F86-F88 HydrophobicContact CE2-CB 3.87Å; F86-F88 AromaticContact CE2-CD1 3.39Å; F86-F88 HydrophobicContact CE2-CD1 3.39Å; F86-F88 HydrophobicContact CE2-CE1 4.15Å; F86-F88 AromaticContact CE2-CG 3.86Å; F86-F88 HydrophobicContact CE2-CG 3.86Å; F86-F88 HydrophobicContact CZ-CD1 4.26Å; F88-I95 HydrophobicContact CD1-CB 4.4Å; F88-I95 HydrophobicContact CD2-CG1 4.2Å; F88-I95 HydrophobicContact CE1-CB 3.86Å; F88-I95 HydrophobicContact CE1-CG1 4.35Å; F88-I95 HydrophobicContact CE1-CG2 3.93Å; F88-I95 HydrophobicContact CE2-CB 3.99Å; F88-I95 HydrophobicContact CE2-CG1 3.54Å; F88-I95 HydrophobicContact CE2-CG2 4.46Å; F88-I95 HydrophobicContact CZ-CB 3.62Å; F88-I95 HydrophobicContact CZ-CG1 3.64Å; F88-I95 HydrophobicContact CZ-CG2 3.67Å; F88-I95 PolarHBondContact O-N 2.89Å; F88-I95 VanDerWaalsContact O-N 3.11Å; F88-V98 HydrophobicContact CZ-CG2 4.43Å; F88-L108 HydrophobicContact CZ-CD2 4.2Å; F88-I163 HydrophobicContact CD1-CG2 4.34Å; F88-I163 HydrophobicContact CD2-CG2 3.86Å; F88-I163 HydrophobicContact CE1-CG2 4.14Å; F88-I163 HydrophobicContact CE2-CG2 3.68Å; F88-I163 HydrophobicContact CG-CG2 4.2Å; F88-I163 HydrophobicContact CZ-CD1 4.44Å; F88-I163 HydrophobicContact CZ-CG2 3.82Å; F88-P165 WeakPolarHBondContact CB-O 3.49Å | ||
| 89 | R | 94.5 | Very high | 92 | Very high | 140 Ų | 140 | 51.5 Ų | 51.5 | 53% | 0.528 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 142.9 | 173.1 | -66.5 | -178.1 | 179.4 | -86.7 | -5.7 | 110.4 | D92 T93 L94 | R89-D92 PolarHBondContact NH1-O 2.9Å; R89-T93 CarbonylContact C-O 3.53Å; R89-T93 WeakPolarHBondContact CA-O 3.33Å; R89-L94 HydrophobicContact CG-CD1 4.47Å |
| 90 | F | 95.3 | Very high | 93.1 | Very high | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.022 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 118.6 | 164.8 | -176.2 | -114.6 | 0 | 0 | 0 | 107.2 | Y56 D92 T93 I95 L108 I169 N190 A191 | Y56-F90 WeakPolarHBondContact OH-CD2 3.5Å; F90-D92 PolarHBondContact O-N 3.13Å; F90-T93 PolarHBondContact N-O 2.96Å; F90-T93 PolarHBondContact O-N 3.45Å; F90-T93 VanDerWaalsContact O-N 3.1Å; F90-I95 HydrophobicContact CB-CD1 3.76Å; F90-I95 HydrophobicContact CB-CG1 3.81Å; F90-L108 HydrophobicContact CB-CD1 3.91Å; F90-L108 HydrophobicContact CD1-CD1 3.78Å; F90-L108 HydrophobicContact CD2-CD1 3.63Å; F90-L108 HydrophobicContact CE1-CD1 4.15Å; F90-L108 HydrophobicContact CE2-CD1 4.02Å; F90-L108 HydrophobicContact CG-CD1 3.49Å; F90-L108 VanDerWaalsContact CG-CD1 3.49Å; F90-L108 HydrophobicContact CZ-CD1 4.25Å; F90-I169 HydrophobicContact CD2-CD1 3.96Å; F90-I169 HydrophobicContact CE2-CD1 3.72Å; F90-N190 WeakPolarHBondContact CE1-O 3.37Å; F90-N190 WeakPolarHBondContact CZ-O 3.48Å; F90-A191 HydrophobicContact CE1-CB 3.85Å; F90-A191 HydrophobicContact CZ-CB 4.3Å |
| 91 | Y | 92.5 | Very high | 93.4 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | -127.2 | -159.1 | -65.4 | -97.3 | 0 | 0 | 0 | 110.1 | Y54 H55 Y56 A191 F193 H202 | Y54-Y91 HydrophobicContact CD1-CD1 4.26Å; Y54-Y91 AromaticContact CD1-CE1 3.95Å; Y54-Y91 HydrophobicContact CD1-CE1 3.95Å; Y54-Y91 HydrophobicContact CE1-CD1 4.38Å; Y54-Y91 WeakPolarHBondContact O-CE1 3.4Å; H55-Y91 HydrophobicContact CB-CD1 3.55Å; H55-Y91 HydrophobicContact CB-CE1 3.71Å; H55-Y91 AromaticContact CD2-CD1 3.84Å; H55-Y91 AromaticContact CG-CD1 3.61Å; Y56-Y91 HydrophobicContact CD2-CE1 4.02Å; Y56-Y91 HydrophobicContact CD2-CE2 4.25Å; Y56-Y91 AromaticContact CD2-CZ 3.78Å; Y56-Y91 HydrophobicContact CE2-CD1 4.28Å; Y56-Y91 AromaticContact CE2-CD2 3.99Å; Y56-Y91 HydrophobicContact CE2-CD2 3.99Å; Y56-Y91 HydrophobicContact CE2-CE1 4.01Å; Y56-Y91 AromaticContact CE2-CE2 3.65Å; Y56-Y91 HydrophobicContact CE2-CE2 3.65Å; Y56-Y91 HydrophobicContact CE2-CG 4.25Å; Y56-Y91 AromaticContact CE2-CZ 3.66Å; Y91-A191 HydrophobicContact CD2-CB 3.79Å; Y91-A191 HydrophobicContact CE2-CB 3.36Å; Y91-F193 HydrophobicContact CD1-CE1 4.11Å; Y91-F193 AromaticContact CD1-CZ 3.64Å; Y91-F193 HydrophobicContact CD1-CZ 3.64Å; Y91-F193 HydrophobicContact CD2-CZ 4.41Å; Y91-F193 AromaticContact CE1-CZ 3.87Å; Y91-F193 HydrophobicContact CE1-CZ 3.87Å; Y91-F193 HydrophobicContact CG-CE1 4.13Å; Y91-F193 AromaticContact CG-CZ 3.95Å; Y91-F193 HydrophobicContact CG-CZ 3.95Å; Y91-H202 AromaticContact CE1-CD2 3.88Å; Y91-H202 AromaticContact CZ-CD2 3.67Å; Y91-H202 PolarHBondContact OH-CD2 2.81Å; Y91-H202 PolarHBondContact OH-NE2 3.11Å |
| 92 | D | 88 | Confident | 92.8 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 40% | 0.401 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -0.6 | -179.5 | -68.4 | -34.8 | 0 | 0 | 0 | 113.7 | H55 R89 F90 K224 | H55-D92 IonicContact CE1-OD1 3.84Å; H55-D92 PolarHBondContact CE1-OD1 3.4Å; H55-D92 IonicContact CE1-OD2 2.96Å; H55-D92 PolarHBondContact CE1-OD2 3.38Å; H55-D92 IonicContact ND1-OD1 3.05Å; H55-D92 IonicContact NE2-OD2 2.71Å; R89-D92 PolarHBondContact NH1-O 2.9Å; F90-D92 PolarHBondContact O-N 3.13Å; D92-K224 IonicContact OD2-NZ 3.8Å; D92-K224 PolarHBondContact OD2-NZ 3.26Å |
| 93 | T | 91.9 | Very high | 92.2 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 134.6 | -171.1 | -52.8 | 0 | 0 | 0 | 0 | 112 | R89 F90 L116 | R89-T93 CarbonylContact C-O 3.53Å; R89-T93 WeakPolarHBondContact CA-O 3.33Å; F90-T93 PolarHBondContact N-O 2.96Å; F90-T93 PolarHBondContact O-N 3.45Å; F90-T93 VanDerWaalsContact O-N 3.1Å; T93-L116 HydrophobicContact CG2-CD1 3.51Å; T93-L116 HydrophobicContact CG2-CD2 3.96Å; T93-L116 HydrophobicContact CG2-CG 4.4Å |
| 94 | L | 94.6 | Very high | 92 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 36% | 0.361 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131.8 | 173.1 | -173 | 71.4 | 0 | 0 | 0 | 109.3 | R89 S110 | R89-L94 HydrophobicContact CG-CD1 4.47Å; L94-S110 WeakPolarHBondContact O-CB 3.43Å |
| 95 | I | 96.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | trans | -89.6 | 128.4 | 176.7 | -59.8 | -50.2 | 0 | 0 | 0 | 109.8 | F88 F90 D97 V98 L108 L116 | F88-I95 HydrophobicContact CD1-CB 4.4Å; F88-I95 HydrophobicContact CD2-CG1 4.2Å; F88-I95 HydrophobicContact CE1-CB 3.86Å; F88-I95 HydrophobicContact CE1-CG1 4.35Å; F88-I95 HydrophobicContact CE1-CG2 3.93Å; F88-I95 HydrophobicContact CE2-CB 3.99Å; F88-I95 HydrophobicContact CE2-CG1 3.54Å; F88-I95 HydrophobicContact CE2-CG2 4.46Å; F88-I95 HydrophobicContact CZ-CB 3.62Å; F88-I95 HydrophobicContact CZ-CG1 3.64Å; F88-I95 HydrophobicContact CZ-CG2 3.67Å; F88-I95 PolarHBondContact O-N 2.89Å; F88-I95 VanDerWaalsContact O-N 3.11Å; F90-I95 HydrophobicContact CB-CD1 3.76Å; F90-I95 HydrophobicContact CB-CG1 3.81Å; I95-D97 WeakPolarHBondContact CG2-O 3.47Å; I95-V98 HydrophobicContact CG2-CG2 4.12Å; I95-L108 HydrophobicContact CD1-CB 3.84Å; I95-L108 HydrophobicContact CG1-CB 4.36Å; I95-L108 HydrophobicContact CG2-CB 4.48Å; I95-L116 HydrophobicContact CD1-CD1 3.47Å; I95-L116 VanDerWaalsContact CD1-CD1 3.47Å | ||
| 96 | D | 94.5 | Very high | 91.9 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 13% | 0.128 | 21% | 0.209 | C | C | . | . | trans | -96.3 | -44.5 | 178.7 | -67.5 | -60.5 | 0 | 0 | 0 | 111.3 | K83 T109 S110 E111 | K83-D96 WeakPolarHBondContact CG-O 3.46Å; D96-T109 PolarHBondContact N-O 3.45Å; D96-S110 WeakPolarHBondContact OD2-CA 3.36Å; D96-E111 PolarHBondContact OD2-N 3.06Å | ||
| 97 | D | 94.7 | Very high | 91.9 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 22% | 0.219 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 153.1 | -177.6 | -52.5 | -79.6 | 0 | 0 | 0 | 111.9 | F81 I95 T109 | F81-D97 HydrophobicContact CD2-CB 4.23Å; F81-D97 HydrophobicContact CE1-CB 4.13Å; F81-D97 WeakPolarHBondContact CE1-OD1 3.35Å; F81-D97 HydrophobicContact CE2-CB 3.34Å; F81-D97 HydrophobicContact CZ-CB 3.3Å; F81-D97 VanDerWaalsContact CZ-OD1 3.3Å; F81-D97 WeakPolarHBondContact CZ-OD1 2.92Å; F81-D97 WeakPolarHBondContact CZ-OD2 3.38Å; I95-D97 WeakPolarHBondContact CG2-O 3.47Å; D97-T109 WeakPolarHBondContact CB-OG1 3.15Å; D97-T109 PolarHBondContact O-N 3.07Å; D97-T109 VanDerWaalsContact O-N 3.08Å; D97-T109 PolarHBondContact O-OG1 3.04Å |
| 98 | V | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.1 | 174.8 | 174.7 | 0 | 0 | 0 | 0 | 109 | F82 P84 F88 I95 I100 I106 L107 L108 L140 | F82-V98 HydrophobicContact CE1-CG1 4.37Å; F82-V98 HydrophobicContact CE2-CB 4.36Å; F82-V98 HydrophobicContact CZ-CB 4.18Å; F82-V98 HydrophobicContact CZ-CG1 4.09Å; F82-V98 PolarHBondContact N-O 3.25Å; F82-V98 PolarHBondContact O-N 2.77Å; P84-V98 HydrophobicContact CG-CB 4.35Å; P84-V98 HydrophobicContact CG-CG2 3.53Å; F88-V98 HydrophobicContact CZ-CG2 4.43Å; I95-V98 HydrophobicContact CG2-CG2 4.12Å; V98-I100 HydrophobicContact CG1-CD1 3.75Å; V98-I106 HydrophobicContact CG1-CG2 3.52Å; V98-L107 WeakPolarHBondContact CA-O 3.33Å; V98-L108 HydrophobicContact CG1-CD2 4.49Å; V98-L108 HydrophobicContact CG2-CD2 3.85Å; V98-L140 HydrophobicContact CB-CD2 4.35Å; V98-L140 HydrophobicContact CG1-CD2 4.05Å; V98-L140 HydrophobicContact CG2-CD2 4.13Å |
| 99 | Y | 93.4 | Very high | 91.8 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 18% | 0.18 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 117.7 | 179.4 | -177.1 | -90.6 | 0 | 0 | 0 | 111.4 | P79 Y80 F81 Y101 L107 | P79-Y99 HydrophobicContact CB-CE1 3.76Å; P79-Y99 HydrophobicContact CB-CE2 3.59Å; P79-Y99 WeakPolarHBondContact CB-OH 2.97Å; P79-Y99 HydrophobicContact CG-CE2 4.02Å; P79-Y99 WeakPolarHBondContact CG-OH 3.25Å; Y80-Y99 WeakPolarHBondContact O-CA 3.36Å; F81-Y99 HydrophobicContact CB-CD2 3.89Å; F81-Y99 HydrophobicContact CB-CE2 4.47Å; F81-Y99 HydrophobicContact CD2-CD2 4.07Å; F81-Y99 HydrophobicContact CG-CD2 4.49Å; Y99-Y101 AromaticContact CD1-CD2 3.24Å; Y99-Y101 HydrophobicContact CD1-CD2 3.24Å; Y99-Y101 AromaticContact CD1-CE2 3.18Å; Y99-Y101 HydrophobicContact CD1-CE2 3.18Å; Y99-Y101 AromaticContact CD1-CG 3.97Å; Y99-Y101 HydrophobicContact CD1-CG 3.97Å; Y99-Y101 AromaticContact CD1-CZ 3.87Å; Y99-Y101 AromaticContact CE1-CD1 3.78Å; Y99-Y101 HydrophobicContact CE1-CD1 3.78Å; Y99-Y101 AromaticContact CE1-CD2 3.23Å; Y99-Y101 HydrophobicContact CE1-CD2 3.23Å; Y99-Y101 AromaticContact CE1-CE1 3.59Å; Y99-Y101 HydrophobicContact CE1-CE1 3.59Å; Y99-Y101 AromaticContact CE1-CE2 3Å; Y99-Y101 HydrophobicContact CE1-CE2 3Å; Y99-Y101 AromaticContact CE1-CG 3.6Å; Y99-Y101 HydrophobicContact CE1-CG 3.6Å; Y99-Y101 AromaticContact CE1-CZ 3.17Å; Y99-Y101 HydrophobicContact CG-CE2 4.47Å; Y99-Y101 AromaticContact CZ-CZ 3.97Å; Y99-L107 HydrophobicContact CD1-CB 4.4Å; Y99-L107 HydrophobicContact CD1-CD2 4.44Å; Y99-L107 PolarHBondContact N-O 2.85Å; Y99-L107 PolarHBondContact O-N 2.9Å |
| 100 | I | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 108.6 | -177.4 | -50 | -59.8 | 0 | 0 | 0 | 109 | F78 Y80 F82 V98 I106 T131 V133 V142 | F78-I100 HydrophobicContact CD1-CG2 4.27Å; F78-I100 WeakPolarHBondContact CD1-O 3.41Å; F78-I100 HydrophobicContact CE1-CB 3.97Å; F78-I100 HydrophobicContact CE1-CG2 3.54Å; F78-I100 HydrophobicContact CZ-CG2 4.44Å; Y80-I100 PolarHBondContact N-O 2.03Å; Y80-I100 PolarHBondContact O-N 3Å; F82-I100 HydrophobicContact CE1-CD1 4.24Å; F82-I100 HydrophobicContact CE1-CG1 3.71Å; F82-I100 HydrophobicContact CZ-CD1 4.49Å; F82-I100 HydrophobicContact CZ-CG1 4.4Å; V98-I100 HydrophobicContact CG1-CD1 3.75Å; I100-I106 HydrophobicContact CD1-CB 4.2Å; I100-I106 HydrophobicContact CD1-CD1 4.48Å; I100-I106 HydrophobicContact CD1-CG1 3.88Å; I100-I106 HydrophobicContact CD1-CG2 3.76Å; I100-T131 HydrophobicContact CG2-CG2 4.03Å; I100-V133 HydrophobicContact CG1-CG2 4.42Å; I100-V142 HydrophobicContact CD1-CG1 4.49Å; I100-V142 HydrophobicContact CD1-CG2 3.72Å; I100-V142 HydrophobicContact CG2-CG1 4.12Å |
| 101 | Y | 87.2 | Confident | 91.2 | Very high | 99 Ų | 99 | 43.9 Ų | 43.9 | 39% | 0.388 | 20% | 0.2 | S | C | . | . | trans | -83.4 | 150.8 | 173.7 | -92.1 | -80.7 | 0 | 0 | 0 | 111.3 | Y99 R105 L107 R144 | Y99-Y101 AromaticContact CD1-CD2 3.24Å; Y99-Y101 HydrophobicContact CD1-CD2 3.24Å; Y99-Y101 AromaticContact CD1-CE2 3.18Å; Y99-Y101 HydrophobicContact CD1-CE2 3.18Å; Y99-Y101 AromaticContact CD1-CG 3.97Å; Y99-Y101 HydrophobicContact CD1-CG 3.97Å; Y99-Y101 AromaticContact CD1-CZ 3.87Å; Y99-Y101 AromaticContact CE1-CD1 3.78Å; Y99-Y101 HydrophobicContact CE1-CD1 3.78Å; Y99-Y101 AromaticContact CE1-CD2 3.23Å; Y99-Y101 HydrophobicContact CE1-CD2 3.23Å; Y99-Y101 AromaticContact CE1-CE1 3.59Å; Y99-Y101 HydrophobicContact CE1-CE1 3.59Å; Y99-Y101 AromaticContact CE1-CE2 3Å; Y99-Y101 HydrophobicContact CE1-CE2 3Å; Y99-Y101 AromaticContact CE1-CG 3.6Å; Y99-Y101 HydrophobicContact CE1-CG 3.6Å; Y99-Y101 AromaticContact CE1-CZ 3.17Å; Y99-Y101 HydrophobicContact CG-CE2 4.47Å; Y99-Y101 AromaticContact CZ-CZ 3.97Å; Y101-R105 PolarHBondContact N-O 2.75Å; Y101-L107 HydrophobicContact CD2-CB 4.37Å; Y101-L107 HydrophobicContact CE2-CB 4.45Å; Y101-L107 HydrophobicContact CE2-CD2 4.09Å; Y101-R144 PolarHBondContact O-NH2 3.04Å; Y101-R144 VanDerWaalsContact O-NH2 3.15Å | ||
| 102 | Y | 74.3 | Confident | 90.6 | Very high | 69 Ų | 69 | 51.4 Ų | 51.4 | 27% | 0.271 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -39.6 | 179 | -174.8 | -98.9 | 0 | 0 | 0 | 113 | G104 R128 S129 | Y102-G104 PolarHBondContact O-N 3.05Å; Y102-R128 VanDerWaalsContact OH-CA 3.28Å; Y102-R128 WeakPolarHBondContact OH-CA 3.45Å; Y102-S129 WeakPolarHBondContact CE2-O 3.34Å; Y102-S129 WeakPolarHBondContact O-CB 3.23Å; Y102-S129 PolarHBondContact OH-N 2.88Å; Y102-S129 VanDerWaalsContact OH-N 3.08Å |
| 103 | Y | 79.9 | Confident | 90.2 | Very high | 134 Ų | 134 | 50.9 Ų | 50.9 | 53% | 0.525 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 38.1 | -177.8 | -59.2 | -72.2 | 0 | 0 | 0 | 113 | R105 F122 | Y103-R105 PolarHBondContact O-N 2.97Å; Y103-F122 HydrophobicContact CD1-CE2 4.35Å; Y103-F122 WeakPolarHBondContact O-CD2 3.47Å |
| 104 | G | 88.2 | Confident | 89.9 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 82.7 | 5.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y102 N121 R144 | Y102-G104 PolarHBondContact O-N 3.05Å; G104-N121 WeakPolarHBondContact CA-O 3.31Å; G104-N121 PolarHBondContact O-N 3.13Å; G104-R144 PolarHBondContact O-NH1 3.23Å |
| 105 | R | 93.3 | Very high | 89.6 | Confident | 86 Ų | 86 | 60.5 Ų | 60.5 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 141.5 | 177.4 | -67.1 | 172.6 | 71.2 | 175.8 | 6.7 | 112.3 | Y101 Y103 D118 I119 E120 R144 | Y101-R105 PolarHBondContact N-O 2.75Å; Y103-R105 PolarHBondContact O-N 2.97Å; R105-D118 IonicContact CZ-OD2 3.7Å; R105-D118 IonicContact NE-OD2 2.82Å; R105-D118 PolarHBondContact NE-OD2 3.48Å; R105-D118 IonicContact NH2-OD2 3.87Å; R105-D118 PolarHBondContact NH2-OD2 2.76Å; R105-I119 CarbonylContact C-O 3.52Å; R105-I119 WeakPolarHBondContact CA-O 3.4Å; R105-E120 HydrophobicContact CG-CB 4.12Å; R105-E120 HydrophobicContact CG-CG 3.87Å; R105-R144 PolarHBondContact O-NH2 2.81Å |
| 106 | I | 95.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 95.9 | 169.4 | -57.9 | 175.3 | 0 | 0 | 0 | 105.8 | V98 I100 L108 D118 I119 V142 I163 | V98-I106 HydrophobicContact CG1-CG2 3.52Å; I100-I106 HydrophobicContact CD1-CB 4.2Å; I100-I106 HydrophobicContact CD1-CD1 4.48Å; I100-I106 HydrophobicContact CD1-CG1 3.88Å; I100-I106 HydrophobicContact CD1-CG2 3.76Å; I106-L108 HydrophobicContact CG2-CD2 4.21Å; I106-D118 CarbonylContact O-C 3.49Å; I106-D118 WeakPolarHBondContact O-CA 3.18Å; I106-D118 WeakPolarHBondContact O-CB 3.45Å; I106-I119 HydrophobicContact CB-CB 4.18Å; I106-I119 PolarHBondContact N-O 3.42Å; I106-I119 PolarHBondContact O-N 2.84Å; I106-V142 HydrophobicContact CD1-CB 3.85Å; I106-V142 HydrophobicContact CD1-CG1 4.27Å; I106-V142 HydrophobicContact CD1-CG2 3.78Å; I106-V142 HydrophobicContact CG1-CG2 4.46Å; I106-I163 HydrophobicContact CG2-CD1 4.2Å |
| 107 | L | 95.7 | Very high | 89.5 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 132.9 | -177.7 | 172.8 | 65.9 | 0 | 0 | 0 | 110.3 | V98 Y99 Y101 T109 Y115 G117 | V98-L107 WeakPolarHBondContact CA-O 3.33Å; Y99-L107 HydrophobicContact CD1-CB 4.4Å; Y99-L107 HydrophobicContact CD1-CD2 4.44Å; Y99-L107 PolarHBondContact N-O 2.85Å; Y99-L107 PolarHBondContact O-N 2.9Å; Y101-L107 HydrophobicContact CD2-CB 4.37Å; Y101-L107 HydrophobicContact CE2-CB 4.45Å; Y101-L107 HydrophobicContact CE2-CD2 4.09Å; L107-T109 HydrophobicContact CD2-CG2 4.22Å; L107-T109 HydrophobicContact CG-CG2 4.01Å; L107-Y115 HydrophobicContact CD1-CD2 3.11Å; L107-Y115 HydrophobicContact CD1-CE2 3.41Å; L107-Y115 VanDerWaalsContact CD1-CE2 3.41Å; L107-Y115 HydrophobicContact CD1-CG 4.04Å; L107-Y115 HydrophobicContact CG-CD2 4.46Å; L107-G117 WeakPolarHBondContact CD1-O 3.41Å |
| 108 | L | 96.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.9 | 179.1 | -51.6 | -179.5 | 0 | 0 | 0 | 109.3 | F88 F90 I95 V98 I106 L116 G117 I163 | F88-L108 HydrophobicContact CZ-CD2 4.2Å; F90-L108 HydrophobicContact CB-CD1 3.91Å; F90-L108 HydrophobicContact CD1-CD1 3.78Å; F90-L108 HydrophobicContact CD2-CD1 3.63Å; F90-L108 HydrophobicContact CE1-CD1 4.15Å; F90-L108 HydrophobicContact CE2-CD1 4.02Å; F90-L108 HydrophobicContact CG-CD1 3.49Å; F90-L108 VanDerWaalsContact CG-CD1 3.49Å; F90-L108 HydrophobicContact CZ-CD1 4.25Å; I95-L108 HydrophobicContact CD1-CB 3.84Å; I95-L108 HydrophobicContact CG1-CB 4.36Å; I95-L108 HydrophobicContact CG2-CB 4.48Å; V98-L108 HydrophobicContact CG1-CD2 4.49Å; V98-L108 HydrophobicContact CG2-CD2 3.85Å; I106-L108 HydrophobicContact CG2-CD2 4.21Å; L108-L116 PolarHBondContact O-N 3.22Å; L108-L116 VanDerWaalsContact O-N 3.07Å; L108-G117 WeakPolarHBondContact CB-O 3.34Å; L108-G117 PolarHBondContact N-O 2.01Å; L108-I163 HydrophobicContact CD2-CD1 4.23Å |
| 109 | T | 94.8 | Very high | 89.7 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 9% | 0.092 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 159.5 | -177.5 | 70.1 | 0 | 0 | 0 | 0 | 111.4 | D96 D97 L107 Y114 | D96-T109 PolarHBondContact N-O 3.45Å; D97-T109 WeakPolarHBondContact CB-OG1 3.15Å; D97-T109 PolarHBondContact O-N 3.07Å; D97-T109 VanDerWaalsContact O-N 3.08Å; D97-T109 PolarHBondContact O-OG1 3.04Å; L107-T109 HydrophobicContact CD2-CG2 4.22Å; L107-T109 HydrophobicContact CG-CG2 4.01Å; T109-Y114 WeakPolarHBondContact CG2-O 3.21Å |
| 110 | S | 91.9 | Very high | 89.8 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 166.4 | 168.3 | 60.4 | 0 | 0 | 0 | 0 | 109.9 | L94 D96 R112 Y113 L116 | L94-S110 WeakPolarHBondContact O-CB 3.43Å; D96-S110 WeakPolarHBondContact OD2-CA 3.36Å; S110-R112 PolarHBondContact O-N 3.46Å; S110-Y113 PolarHBondContact N-O 3.4Å; S110-Y113 CarbonylContact O-C 3.41Å; S110-Y113 PolarHBondContact O-N 2.93Å; S110-Y113 PolarHBondContact OG-N 3.42Å; S110-L116 WeakPolarHBondContact OG-CD1 3.42Å |
| 111 | E | 85.8 | Confident | 89.9 | Confident | 182 Ų | 182 | 56.7 Ų | 56.7 | 85% | 0.85 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -33.7 | 173.1 | -75 | -176.2 | 173.9 | 0 | 0 | 112.5 | D96 | D96-E111 PolarHBondContact OD2-N 3.06Š|
| 112 | R | 79.5 | Confident | 90 | Very high | 166 Ų | 166 | 54.6 Ų | 54.6 | 63% | 0.626 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -24.5 | -176.1 | -151.6 | -177.6 | -154.2 | -169.1 | 7.3 | 113.7 | S110 | S110-R112 PolarHBondContact O-N 3.46Š|
| 113 | Y | 79.4 | Confident | 90.7 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 26% | 0.255 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 115.9 | -171.3 | -59.8 | -76.7 | 0 | 0 | 0 | 110.9 | S110 Y115 L116 | S110-Y113 PolarHBondContact N-O 3.4Å; S110-Y113 CarbonylContact O-C 3.41Å; S110-Y113 PolarHBondContact O-N 2.93Å; S110-Y113 PolarHBondContact OG-N 3.42Å; Y113-Y115 PolarHBondContact O-N 2.94Å; Y113-L116 HydrophobicContact CD2-CD2 3.64Å; Y113-L116 HydrophobicContact CG-CD2 3.94Å |
| 114 | Y | 84.4 | Confident | 91.2 | Very high | 225 Ų | 225 | 48.9 Ų | 48.9 | 88% | 0.882 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -61.9 | -19.7 | 173.1 | -72.2 | -74.4 | 0 | 0 | 0 | 113.7 | T109 | T109-Y114 WeakPolarHBondContact CG2-O 3.21Å |
| 115 | Y | 89.7 | Confident | 91.2 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 30% | 0.302 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 114.3 | 173.8 | -178.4 | -84.8 | 0 | 0 | 0 | 107.8 | L107 Y113 D118 T192 | L107-Y115 HydrophobicContact CD1-CD2 3.11Å; L107-Y115 HydrophobicContact CD1-CE2 3.41Å; L107-Y115 VanDerWaalsContact CD1-CE2 3.41Å; L107-Y115 HydrophobicContact CD1-CG 4.04Å; L107-Y115 HydrophobicContact CG-CD2 4.46Å; Y113-Y115 PolarHBondContact O-N 2.94Å; Y115-D118 PolarHBondContact OH-OD2 3.42Å; Y115-T192 VanDerWaalsContact CE1-OG1 3.23Å; Y115-T192 WeakPolarHBondContact CE1-OG1 3.48Å |
| 116 | L | 92.8 | Very high | 91.1 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -30.2 | 168.1 | -77.8 | 170.9 | 0 | 0 | 0 | 111.9 | T93 I95 L108 S110 Y113 A191 T192 | T93-L116 HydrophobicContact CG2-CD1 3.51Å; T93-L116 HydrophobicContact CG2-CD2 3.96Å; T93-L116 HydrophobicContact CG2-CG 4.4Å; I95-L116 HydrophobicContact CD1-CD1 3.47Å; I95-L116 VanDerWaalsContact CD1-CD1 3.47Å; L108-L116 PolarHBondContact O-N 3.22Å; L108-L116 VanDerWaalsContact O-N 3.07Å; S110-L116 WeakPolarHBondContact OG-CD1 3.42Å; Y113-L116 HydrophobicContact CD2-CD2 3.64Å; Y113-L116 HydrophobicContact CG-CD2 3.94Å; L116-A191 WeakPolarHBondContact O-CA 3.42Å; L116-T192 PolarHBondContact O-N 3.43Å |
| 117 | G | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.4 | 179.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L107 L108 N190 | L107-G117 WeakPolarHBondContact CD1-O 3.41Å; L108-G117 WeakPolarHBondContact CB-O 3.34Å; L108-G117 PolarHBondContact N-O 2.01Å; G117-N190 CarbonylContact C-O 3.5Å; G117-N190 WeakPolarHBondContact CA-O 3.49Å |
| 118 | D | 96.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 169.8 | 179.5 | 62.1 | 33.9 | 0 | 0 | 0 | 112.9 | R105 I106 Y115 I189 N190 | R105-D118 IonicContact CZ-OD2 3.7Å; R105-D118 IonicContact NE-OD2 2.82Å; R105-D118 PolarHBondContact NE-OD2 3.48Å; R105-D118 IonicContact NH2-OD2 3.87Å; R105-D118 PolarHBondContact NH2-OD2 2.76Å; I106-D118 CarbonylContact O-C 3.49Å; I106-D118 WeakPolarHBondContact O-CA 3.18Å; I106-D118 WeakPolarHBondContact O-CB 3.45Å; Y115-D118 PolarHBondContact OH-OD2 3.42Å; D118-I189 WeakPolarHBondContact O-CA 3.48Å; D118-N190 PolarHBondContact N-O 3.18Å; D118-N190 PolarHBondContact O-N 3.39Å; D118-N190 WeakPolarHBondContact OD1-CB 3.21Å; D118-N190 PolarHBondContact OD1-ND2 3.07Å |
| 119 | I | 97.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 117.8 | 164.8 | -56.7 | 158 | 0 | 0 | 0 | 106.3 | R105 I106 I163 I169 L171 I189 | R105-I119 CarbonylContact C-O 3.52Å; R105-I119 WeakPolarHBondContact CA-O 3.4Å; I106-I119 HydrophobicContact CB-CB 4.18Å; I106-I119 PolarHBondContact N-O 3.42Å; I106-I119 PolarHBondContact O-N 2.84Å; I119-I163 HydrophobicContact CD1-CD1 3.63Å; I119-I163 HydrophobicContact CD1-CG1 3.62Å; I119-I169 HydrophobicContact CD1-CD1 4.01Å; I119-I169 HydrophobicContact CD1-CG1 4.15Å; I119-I169 HydrophobicContact CD1-CG2 3.66Å; I119-I169 HydrophobicContact CG1-CD1 4.08Å; I119-I169 HydrophobicContact CG1-CG2 4.05Å; I119-I169 HydrophobicContact CG2-CG2 4.48Å; I119-L171 HydrophobicContact CG2-CD2 3.64Å; I119-I189 HydrophobicContact CG1-CG2 4.07Å |
| 120 | E | 95.7 | Very high | 90 | Very high | 28 Ų | 28 | 66.7 Ų | 66.7 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.6 | -177.4 | -177.9 | 166.7 | -150.2 | 0 | 0 | 110.2 | R105 F122 I186 S187 K188 N190 | R105-E120 HydrophobicContact CG-CB 4.12Å; R105-E120 HydrophobicContact CG-CG 3.87Å; E120-F122 HydrophobicContact CG-CB 4.29Å; E120-I186 HydrophobicContact CG-CG2 4.28Å; E120-S187 CarbonylContact O-C 3.58Å; E120-S187 VanDerWaalsContact O-CA 3.27Å; E120-S187 WeakPolarHBondContact O-CA 3.42Å; E120-K188 HydrophobicContact CB-CG 4.11Å; E120-K188 PolarHBondContact N-O 3.24Å; E120-K188 PolarHBondContact O-N 3.47Å; E120-K188 WeakPolarHBondContact OE2-CE 3.46Å; E120-K188 IonicContact OE2-NZ 3.88Å; E120-N190 PolarHBondContact OE2-ND2 3.34Å |
| 121 | N | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 94.6 | 170.8 | -69.3 | -82.3 | 0 | 0 | 0 | 108.9 | G104 F146 M159 S161 I186 S187 | G104-N121 WeakPolarHBondContact CA-O 3.31Å; G104-N121 PolarHBondContact O-N 3.13Å; N121-F146 WeakPolarHBondContact O-CZ 3.15Å; N121-M159 HydrophobicContact CB-CE 4.33Å; N121-M159 HydrophobicContact CB-SD 3.2Å; N121-M159 WeakPolarHBondContact CB-SD 3.42Å; N121-M159 VanDerWaalsContact CG-SD 3.55Å; N121-S161 PolarHBondContact ND2-OG 3.38Å; N121-I186 CarbonylContact C-O 3.56Å; N121-I186 VanDerWaalsContact CA-O 3.31Å; N121-I186 WeakPolarHBondContact CA-O 2.97Å; N121-S187 WeakPolarHBondContact OD1-CB 3.33Å; N121-S187 PolarHBondContact OD1-OG 3.05Å |
| 122 | F | 90.4 | Very high | 90.1 | Very high | 55 Ų | 55 | 59.3 Ų | 59.3 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 144.2 | -170.4 | 174.9 | -98 | 0 | 0 | 0 | 110.3 | Y103 E120 Q124 I126 W185 I186 | Y103-F122 HydrophobicContact CD1-CE2 4.35Å; Y103-F122 WeakPolarHBondContact O-CD2 3.47Å; E120-F122 HydrophobicContact CG-CB 4.29Å; F122-Q124 HydrophobicContact CE1-CG 4.38Å; F122-I126 HydrophobicContact CD2-CD1 3.93Å; F122-I126 HydrophobicContact CE2-CD1 4.14Å; F122-W185 CarbonylContact O-C 3.59Å; F122-W185 WeakPolarHBondContact O-CA 2.94Å; F122-I186 PolarHBondContact N-O 3.07Å; F122-I186 PolarHBondContact O-N 3.45Å |
| 123 | A | 89.4 | Confident | 90.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 147.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | I126 I148 E184 W185 | A123-I126 HydrophobicContact CB-CD1 4.09Å; A123-I126 HydrophobicContact CB-CG1 4.13Å; A123-I126 WeakPolarHBondContact O-CD1 2.98Å; A123-I126 VanDerWaalsContact O-CG1 3.25Å; A123-I126 WeakPolarHBondContact O-CG1 3.5Å; A123-I148 HydrophobicContact CB-CD1 3.62Å; A123-I148 HydrophobicContact CB-CG1 4.36Å; A123-E184 WeakPolarHBondContact CA-O 3.23Å; A123-W185 HydrophobicContact CB-CD2 4.03Å; A123-W185 HydrophobicContact CB-CE3 3.5Å; A123-W185 VanDerWaalsContact CB-CE3 3.5Å; A123-W185 HydrophobicContact CB-CZ3 3.82Å |
| 124 | Q | 89.1 | Confident | 91.2 | Very high | 83 Ų | 83 | 49.6 Ų | 49.6 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 157.3 | 168.2 | -66.3 | -176.6 | -7 | 0 | 0 | 110.8 | F122 I126 I183 E184 | F122-Q124 HydrophobicContact CE1-CG 4.38Å; Q124-I126 VanDerWaalsContact C-N 3.28Å; Q124-I126 PolarHBondContact O-N 3.07Å; Q124-I183 HydrophobicContact CB-CG2 3.87Å; Q124-E184 HydrophobicContact CG-CB 4.04Å; Q124-E184 PolarHBondContact N-O 3.21Å; Q124-E184 PolarHBondContact NE2-OE2 2.92Å |
| 125 | N | 88.6 | Confident | 91.6 | Very high | 95 Ų | 95 | 40 Ų | 40 | 51% | 0.508 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 22.6 | 176.2 | -54.8 | -24.1 | 0 | 0 | 0 | 116.5 | Q127 I148 T149 | N125-Q127 PolarHBondContact O-N 2.81Å; N125-Q127 PolarHBondContact O-NE2 3.45Å; N125-I148 HydrophobicContact CB-CG2 4.27Å; N125-T149 PolarHBondContact O-N 2.88Å |
| 126 | I | 90.5 | Very high | 91.7 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 9% | 0.092 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 115.4 | 169.3 | -67 | 166.8 | 0 | 0 | 0 | 109.6 | F122 A123 Q124 R128 F146 I148 | F122-I126 HydrophobicContact CD2-CD1 3.93Å; F122-I126 HydrophobicContact CE2-CD1 4.14Å; A123-I126 HydrophobicContact CB-CD1 4.09Å; A123-I126 HydrophobicContact CB-CG1 4.13Å; A123-I126 WeakPolarHBondContact O-CD1 2.98Å; A123-I126 VanDerWaalsContact O-CG1 3.25Å; A123-I126 WeakPolarHBondContact O-CG1 3.5Å; Q124-I126 VanDerWaalsContact C-N 3.28Å; Q124-I126 PolarHBondContact O-N 3.07Å; I126-R128 WeakPolarHBondContact CG2-O 3.41Å; I126-F146 HydrophobicContact CD1-CB 4.46Å; I126-F146 HydrophobicContact CD1-CD1 3.68Å; I126-F146 HydrophobicContact CD1-CE1 3.95Å; I126-F146 HydrophobicContact CD1-CG 4.03Å; I126-F146 HydrophobicContact CD1-CZ 4.5Å; I126-F146 HydrophobicContact CG1-CB 4.28Å; I126-F146 HydrophobicContact CG1-CD1 4.22Å; I126-F146 HydrophobicContact CG1-CG 4.38Å; I126-F146 HydrophobicContact CG2-CD1 4.01Å; I126-I148 HydrophobicContact CG1-CG1 3.97Å |
| 127 | Q | 91.1 | Very high | 91.8 | Very high | 119 Ų | 119 | 43.3 Ų | 43.3 | 56% | 0.556 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87 | -41.2 | 172.5 | -60.1 | -54.9 | -45.2 | 0 | 0 | 111.6 | N125 V147 T149 | N125-Q127 PolarHBondContact O-N 2.81Å; N125-Q127 PolarHBondContact O-NE2 3.45Å; Q127-V147 PolarHBondContact N-O 2.85Å; Q127-T149 WeakPolarHBondContact CG-OG1 3.43Å |
| 128 | R | 89.6 | Confident | 91.6 | Very high | 151 Ų | 151 | 49.2 Ų | 49.2 | 57% | 0.57 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 143.8 | -177.8 | -168.5 | 178 | -64.8 | 177.7 | 2.5 | 111.8 | Y102 I126 F146 V147 | Y102-R128 VanDerWaalsContact OH-CA 3.28Å; Y102-R128 WeakPolarHBondContact OH-CA 3.45Å; I126-R128 WeakPolarHBondContact CG2-O 3.41Å; R128-F146 CarbonylContact O-C 3.51Å; R128-F146 WeakPolarHBondContact O-CA 3.35Å; R128-V147 HydrophobicContact CB-CB 4.01Å; R128-V147 HydrophobicContact CB-CG2 4.09Å; R128-V147 PolarHBondContact N-O 2.79Å; R128-V147 PolarHBondContact O-N 2.88Å |
| 129 | S | 89.4 | Confident | 91.5 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 122.7 | 166.6 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | Y102 T131 N145 F146 | Y102-S129 WeakPolarHBondContact CE2-O 3.34Å; Y102-S129 WeakPolarHBondContact O-CB 3.23Å; Y102-S129 PolarHBondContact OH-N 2.88Å; Y102-S129 VanDerWaalsContact OH-N 3.08Å; S129-T131 PolarHBondContact OG-OG1 2.83Å; S129-N145 WeakPolarHBondContact CA-O 3.38Å; S129-F146 WeakPolarHBondContact OG-CD1 3.42Å; S129-F146 VanDerWaalsContact OG-CE1 3.27Å; S129-F146 WeakPolarHBondContact OG-CE1 3.43Å |
| 130 | E | 89.5 | Confident | 91.4 | Very high | 104 Ų | 104 | 50.6 Ų | 50.6 | 49% | 0.486 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.5 | 162.8 | -61.6 | 171.2 | 162.9 | 0 | 0 | 107.3 | R144 N145 | E130-R144 CarbonylContact O-C 3.59Å; E130-R144 WeakPolarHBondContact O-CA 3.42Å; E130-N145 HydrophobicContact CB-CB 4.24Å; E130-N145 PolarHBondContact N-O 3.12Å; E130-N145 PolarHBondContact O-N 2.62Å; E130-N145 PolarHBondContact OE2-ND2 2.82Å |
| 131 | T | 89.6 | Confident | 91.3 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.9 | -178.5 | -65.4 | 0 | 0 | 0 | 0 | 109.2 | F78 I100 S129 V133 V142 K143 R144 | F78-T131 HydrophobicContact CE1-CG2 3.95Å; F78-T131 HydrophobicContact CE2-CG2 4.29Å; F78-T131 HydrophobicContact CZ-CG2 3.43Å; F78-T131 VanDerWaalsContact CZ-CG2 3.43Å; I100-T131 HydrophobicContact CG2-CG2 4.03Å; S129-T131 PolarHBondContact OG-OG1 2.83Å; T131-V133 HydrophobicContact CG2-CG2 4.33Å; T131-V142 HydrophobicContact CG2-CG1 3.62Å; T131-K143 WeakPolarHBondContact CA-O 3.21Å; T131-R144 HydrophobicContact CG2-CG 4.07Å; T131-R144 WeakPolarHBondContact OG1-CG 3.23Å |
| 132 | V | 90.3 | Very high | 91.3 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.7 | 176.2 | -54.3 | 0 | 0 | 0 | 0 | 109.7 | Y73 N75 K143 | Y73-V132 HydrophobicContact CD1-CB 4.06Å; Y73-V132 HydrophobicContact CD1-CG2 3.5Å; Y73-V132 HydrophobicContact CE1-CG2 4.11Å; Y73-V132 HydrophobicContact CG-CB 4.28Å; Y73-V132 HydrophobicContact CG-CG2 3.77Å; N75-V132 WeakPolarHBondContact OD1-CG1 3.06Å; V132-K143 HydrophobicContact CG2-CB 3.72Å; V132-K143 HydrophobicContact CG2-CG 4.29Å; V132-K143 PolarHBondContact N-O 3.24Å; V132-K143 PolarHBondContact O-N 3.38Å |
| 133 | V | 91.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.9 | -173.8 | -177 | 0 | 0 | 0 | 0 | 110 | R74 F76 F82 I100 T131 L140 A141 V142 | R74-V133 PolarHBondContact N-O 3.2Å; R74-V133 PolarHBondContact O-N 3.44Å; R74-V133 VanDerWaalsContact O-N 3.12Å; F76-V133 HydrophobicContact CD2-CB 3.96Å; F76-V133 HydrophobicContact CD2-CG2 4.23Å; F76-V133 HydrophobicContact CE2-CB 3.94Å; F82-V133 HydrophobicContact CE1-CG1 4.31Å; F82-V133 HydrophobicContact CZ-CG1 4.07Å; I100-V133 HydrophobicContact CG1-CG2 4.42Å; T131-V133 HydrophobicContact CG2-CG2 4.33Å; V133-L140 HydrophobicContact CG1-CD1 3.72Å; V133-A141 WeakPolarHBondContact CA-O 3.31Å; V133-V142 HydrophobicContact CG1-CG2 4.44Å; V133-V142 HydrophobicContact CG2-CG1 4.47Å; V133-V142 HydrophobicContact CG2-CG2 4.39Å |
| 134 | F | 91.6 | Very high | 91.5 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 116.9 | 170 | 171.6 | -91 | 0 | 0 | 0 | 107.5 | S72 Y73 E136 L139 L140 A141 | S72-F134 WeakPolarHBondContact OG-CD2 3.23Å; S72-F134 WeakPolarHBondContact OG-CE2 3.28Å; Y73-F134 HydrophobicContact CD1-CB 3.74Å; Y73-F134 HydrophobicContact CE1-CB 3.62Å; F134-E136 HydrophobicContact CD1-CG 4.48Å; F134-E136 HydrophobicContact CD2-CG 4.14Å; F134-E136 HydrophobicContact CE1-CB 3.79Å; F134-E136 HydrophobicContact CE1-CG 3.83Å; F134-E136 HydrophobicContact CE2-CB 4.28Å; F134-E136 HydrophobicContact CE2-CG 3.42Å; F134-E136 VanDerWaalsContact CE2-CG 3.42Å; F134-E136 HydrophobicContact CZ-CB 3.6Å; F134-E136 HydrophobicContact CZ-CG 3.25Å; F134-L139 HydrophobicContact CD1-CD1 3.48Å; F134-L139 VanDerWaalsContact CD1-CD1 3.48Å; F134-L139 HydrophobicContact CD1-CG 4.39Å; F134-L139 HydrophobicContact CE1-CD1 3.58Å; F134-L139 HydrophobicContact CE1-CG 4.01Å; F134-L140 CarbonylContact O-C 3.58Å; F134-L140 WeakPolarHBondContact O-CA 3.46Å; F134-L140 WeakPolarHBondContact O-CD1 3.39Å; F134-A141 HydrophobicContact CB-CB 4.33Å; F134-A141 HydrophobicContact CD1-CB 4.44Å; F134-A141 PolarHBondContact N-O 3.37Å; F134-A141 PolarHBondContact O-N 3.47Å |
| 135 | N | 92.2 | Very high | 91.7 | Very high | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 94.3 | -176.7 | 176.3 | 27.5 | 0 | 0 | 0 | 108.4 | F82 K83 K85 L140 | F82-N135 WeakPolarHBondContact CD2-ND2 3.19Å; F82-N135 HydrophobicContact CE2-CB 4.03Å; F82-N135 WeakPolarHBondContact CE2-ND2 3.46Å; K83-N135 PolarHBondContact O-ND2 3.35Å; K85-N135 VanDerWaalsContact CD-O 3.3Å; K85-N135 WeakPolarHBondContact CD-O 3.29Å; K85-N135 WeakPolarHBondContact CE-O 3.44Å; K85-N135 PolarHBondContact N-OD1 3.28Å; K85-N135 VanDerWaalsContact N-OD1 3.07Å; K85-N135 PolarHBondContact NZ-O 2.8Å; N135-L140 HydrophobicContact CB-CD1 3.96Å |
| 136 | E | 92.5 | Very high | 92 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 27% | 0.271 | 20% | 0.2 | S | C | . | . | trans | -124.4 | 174.5 | 178.8 | -65.1 | -57.6 | 151 | 0 | 0 | 110.7 | K85 F86 F134 E138 L139 | K85-E136 IonicContact NZ-OE1 2.81Å; K85-E136 PolarHBondContact NZ-OE1 3.08Å; K85-E136 IonicContact NZ-OE2 2.7Å; K85-E136 PolarHBondContact NZ-OE2 2.88Å; F86-E136 WeakPolarHBondContact CD1-O 3.4Å; F134-E136 HydrophobicContact CD1-CG 4.48Å; F134-E136 HydrophobicContact CD2-CG 4.14Å; F134-E136 HydrophobicContact CE1-CB 3.79Å; F134-E136 HydrophobicContact CE1-CG 3.83Å; F134-E136 HydrophobicContact CE2-CB 4.28Å; F134-E136 HydrophobicContact CE2-CG 3.42Å; F134-E136 VanDerWaalsContact CE2-CG 3.42Å; F134-E136 HydrophobicContact CZ-CB 3.6Å; F134-E136 HydrophobicContact CZ-CG 3.25Å; E136-E138 WeakPolarHBondContact CB-OE2 3.4Å; E136-E138 PolarHBondContact O-N 2.7Å; E136-L139 PolarHBondContact N-O 3.46Å; E136-L139 PolarHBondContact O-N 2.58Å; E136-L139 VanDerWaalsContact O-O 3.06Å | ||
| 137 | N | 93.7 | Very high | 92.2 | Very high | 99 Ų | 99 | 43 Ų | 43 | 53% | 0.529 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -63 | -26.9 | -174.9 | -67.1 | -24.6 | 0 | 0 | 0 | 112.6 | K85 P165 | K85-N137 PolarHBondContact O-OD1 2.72Å; N137-P165 WeakPolarHBondContact O-CG 3.42Å |
| 138 | E | 92.2 | Very high | 92.3 | Very high | 124 Ų | 124 | 37.3 Ų | 37.3 | 58% | 0.579 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -81.9 | -33.1 | -176 | -59.5 | 75.3 | -165.3 | 0 | 0 | 112.5 | E136 P165 | E136-E138 WeakPolarHBondContact CB-OE2 3.4Å; E136-E138 PolarHBondContact O-N 2.7Å; E138-P165 WeakPolarHBondContact O-CD 3.45Å |
| 139 | L | 94.4 | Very high | 92.4 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | trans | -171.6 | 160.9 | -178 | 59.8 | 93.4 | 0 | 0 | 0 | 112.5 | F69 F86 F134 E136 A141 V162 I163 Q164 | F69-L139 HydrophobicContact CD1-CD1 4.02Å; F69-L139 HydrophobicContact CD1-CD2 4.23Å; F69-L139 HydrophobicContact CE1-CD1 3.73Å; F69-L139 HydrophobicContact CE1-CD2 3.77Å; F69-L139 HydrophobicContact CE1-CG 4.45Å; F86-L139 VanDerWaalsContact CE1-C 3.45Å; F134-L139 HydrophobicContact CD1-CD1 3.48Å; F134-L139 VanDerWaalsContact CD1-CD1 3.48Å; F134-L139 HydrophobicContact CD1-CG 4.39Å; F134-L139 HydrophobicContact CE1-CD1 3.58Å; F134-L139 HydrophobicContact CE1-CG 4.01Å; E136-L139 PolarHBondContact N-O 3.46Å; E136-L139 PolarHBondContact O-N 2.58Å; E136-L139 VanDerWaalsContact O-O 3.06Å; L139-A141 HydrophobicContact CD1-CB 3.68Å; L139-V162 HydrophobicContact CB-CG1 4.02Å; L139-V162 HydrophobicContact CD1-CG1 4.07Å; L139-V162 HydrophobicContact CD2-CG1 4.37Å; L139-V162 HydrophobicContact CG-CG1 4.4Å; L139-I163 WeakPolarHBondContact CA-O 3.44Å; L139-I163 WeakPolarHBondContact CB-O 3.44Å; L139-Q164 HydrophobicContact CB-CG 4.25Å | ||
| 140 | L | 94.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117.3 | 164.9 | 165.1 | 59.2 | 0 | 0 | 0 | 108.6 | F82 F86 V98 V133 F134 N135 V142 V162 I163 | F82-L140 HydrophobicContact CE2-CD1 3.85Å; F82-L140 HydrophobicContact CE2-CD2 3.93Å; F82-L140 HydrophobicContact CZ-CD1 3.57Å; F82-L140 HydrophobicContact CZ-CD2 3.81Å; F82-L140 HydrophobicContact CZ-CG 4.37Å; F86-L140 HydrophobicContact CE1-CB 3.94Å; F86-L140 HydrophobicContact CZ-CB 3.93Å; V98-L140 HydrophobicContact CB-CD2 4.35Å; V98-L140 HydrophobicContact CG1-CD2 4.05Å; V98-L140 HydrophobicContact CG2-CD2 4.13Å; V133-L140 HydrophobicContact CG1-CD1 3.72Å; F134-L140 CarbonylContact O-C 3.58Å; F134-L140 WeakPolarHBondContact O-CA 3.46Å; F134-L140 WeakPolarHBondContact O-CD1 3.39Å; N135-L140 HydrophobicContact CB-CD1 3.96Å; L140-V142 HydrophobicContact CD1-CG2 4.21Å; L140-V162 CarbonylContact O-C 3.51Å; L140-V162 VanDerWaalsContact O-CA 3.28Å; L140-V162 WeakPolarHBondContact O-CA 3.3Å; L140-I163 HydrophobicContact CB-CB 4.39Å; L140-I163 HydrophobicContact CD2-CD1 4.03Å; L140-I163 PolarHBondContact N-O 3.21Å; L140-I163 PolarHBondContact O-N 2.89Å |
| 141 | A | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F69 Y73 V133 F134 L139 S161 V162 | F69-A141 HydrophobicContact CE1-CB 4.2Å; F69-A141 HydrophobicContact CE2-CB 4.46Å; F69-A141 HydrophobicContact CZ-CB 4.15Å; Y73-A141 HydrophobicContact CE1-CB 4.47Å; V133-A141 WeakPolarHBondContact CA-O 3.31Å; F134-A141 HydrophobicContact CB-CB 4.33Å; F134-A141 HydrophobicContact CD1-CB 4.44Å; F134-A141 PolarHBondContact N-O 3.37Å; F134-A141 PolarHBondContact O-N 3.47Å; L139-A141 HydrophobicContact CD1-CB 3.68Å; A141-S161 CarbonylContact C-O 3.58Å; A141-S161 VanDerWaalsContact CA-O 3.31Å; A141-S161 WeakPolarHBondContact CA-O 3.28Å; A141-V162 HydrophobicContact CB-CG2 4.17Å |
| 142 | V | 93.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 104.9 | 178 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | I100 I106 T131 V133 L140 R144 T160 S161 | I100-V142 HydrophobicContact CD1-CG1 4.49Å; I100-V142 HydrophobicContact CD1-CG2 3.72Å; I100-V142 HydrophobicContact CG2-CG1 4.12Å; I106-V142 HydrophobicContact CD1-CB 3.85Å; I106-V142 HydrophobicContact CD1-CG1 4.27Å; I106-V142 HydrophobicContact CD1-CG2 3.78Å; I106-V142 HydrophobicContact CG1-CG2 4.46Å; T131-V142 HydrophobicContact CG2-CG1 3.62Å; V133-V142 HydrophobicContact CG1-CG2 4.44Å; V133-V142 HydrophobicContact CG2-CG1 4.47Å; V133-V142 HydrophobicContact CG2-CG2 4.39Å; L140-V142 HydrophobicContact CD1-CG2 4.21Å; V142-R144 HydrophobicContact CG1-CG 4.26Å; V142-T160 WeakPolarHBondContact O-CA 3.34Å; V142-S161 PolarHBondContact N-O 3.08Å; V142-S161 PolarHBondContact O-N 2.97Å |
| 143 | K | 92.7 | Very high | 92.8 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.4 | 177.9 | 178.7 | 172 | -176.9 | 172.5 | 0 | 109.2 | Y73 T131 V132 M159 T160 | Y73-K143 HydrophobicContact CE1-CB 4.31Å; T131-K143 WeakPolarHBondContact CA-O 3.21Å; V132-K143 HydrophobicContact CG2-CB 3.72Å; V132-K143 HydrophobicContact CG2-CG 4.29Å; V132-K143 PolarHBondContact N-O 3.24Å; V132-K143 PolarHBondContact O-N 3.38Å; K143-M159 WeakPolarHBondContact CA-O 3.5Å; K143-T160 HydrophobicContact CB-CG2 4.27Å |
| 144 | R | 92.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 139.8 | -176.8 | -60.3 | -164.3 | 163.5 | 103.8 | -16.1 | 110.9 | Y101 G104 R105 E130 T131 V142 F146 K158 M159 | Y101-R144 PolarHBondContact O-NH2 3.04Å; Y101-R144 VanDerWaalsContact O-NH2 3.15Å; G104-R144 PolarHBondContact O-NH1 3.23Å; R105-R144 PolarHBondContact O-NH2 2.81Å; E130-R144 CarbonylContact O-C 3.59Å; E130-R144 WeakPolarHBondContact O-CA 3.42Å; T131-R144 HydrophobicContact CG2-CG 4.07Å; T131-R144 WeakPolarHBondContact OG1-CG 3.23Å; V142-R144 HydrophobicContact CG1-CG 4.26Å; R144-F146 HydrophobicContact CB-CD2 4.45Å; R144-F146 HydrophobicContact CB-CE1 4.31Å; R144-F146 HydrophobicContact CB-CE2 3.92Å; R144-F146 HydrophobicContact CB-CZ 3.86Å; R144-F146 HydrophobicContact CG-CZ 4.25Å; R144-K158 VanDerWaalsContact O-CA 3.29Å; R144-K158 WeakPolarHBondContact O-CA 3.26Å; R144-M159 HydrophobicContact CB-CG 4.24Å; R144-M159 PolarHBondContact N-O 3.45Å; R144-M159 PolarHBondContact O-N 3.01Å |
| 145 | N | 92.8 | Very high | 93.1 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 106.8 | 167.7 | 175.4 | 34.9 | 0 | 0 | 0 | 107.7 | S129 E130 S156 A157 K158 | S129-N145 WeakPolarHBondContact CA-O 3.38Å; E130-N145 HydrophobicContact CB-CB 4.24Å; E130-N145 PolarHBondContact N-O 3.12Å; E130-N145 PolarHBondContact O-N 2.62Å; E130-N145 PolarHBondContact OE2-ND2 2.82Å; N145-S156 PolarHBondContact OD1-OG 2.77Å; N145-A157 CarbonylContact C-O 3.55Å; N145-A157 WeakPolarHBondContact CA-O 3.4Å; N145-K158 HydrophobicContact CB-CG 4.15Å |
| 146 | F | 93.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 136 | 176.8 | -59.8 | -65.2 | 0 | 0 | 0 | 110.1 | N121 I126 R128 S129 R144 I148 S156 A157 M159 W185 | N121-F146 WeakPolarHBondContact O-CZ 3.15Å; I126-F146 HydrophobicContact CD1-CB 4.46Å; I126-F146 HydrophobicContact CD1-CD1 3.68Å; I126-F146 HydrophobicContact CD1-CE1 3.95Å; I126-F146 HydrophobicContact CD1-CG 4.03Å; I126-F146 HydrophobicContact CD1-CZ 4.5Å; I126-F146 HydrophobicContact CG1-CB 4.28Å; I126-F146 HydrophobicContact CG1-CD1 4.22Å; I126-F146 HydrophobicContact CG1-CG 4.38Å; I126-F146 HydrophobicContact CG2-CD1 4.01Å; R128-F146 CarbonylContact O-C 3.51Å; R128-F146 WeakPolarHBondContact O-CA 3.35Å; S129-F146 WeakPolarHBondContact OG-CD1 3.42Å; S129-F146 VanDerWaalsContact OG-CE1 3.27Å; S129-F146 WeakPolarHBondContact OG-CE1 3.43Å; R144-F146 HydrophobicContact CB-CD2 4.45Å; R144-F146 HydrophobicContact CB-CE1 4.31Å; R144-F146 HydrophobicContact CB-CE2 3.92Å; R144-F146 HydrophobicContact CB-CZ 3.86Å; R144-F146 HydrophobicContact CG-CZ 4.25Å; F146-I148 HydrophobicContact CB-CD1 4.43Å; F146-I148 HydrophobicContact CB-CG1 4.22Å; F146-S156 CarbonylContact O-C 3.56Å; F146-S156 VanDerWaalsContact O-CA 3.32Å; F146-S156 WeakPolarHBondContact O-CA 3.29Å; F146-A157 PolarHBondContact N-O 2.82Å; F146-A157 PolarHBondContact O-N 3.17Å; F146-M159 HydrophobicContact CD2-CG 4.42Å; F146-M159 HydrophobicContact CE2-CG 3.84Å; F146-M159 HydrophobicContact CE2-SD 4.08Å; F146-W185 AromaticContact CD2-CH2 3.99Å; F146-W185 HydrophobicContact CD2-CH2 3.99Å; F146-W185 HydrophobicContact CD2-CZ2 4.44Å; F146-W185 HydrophobicContact CE2-CH2 4.41Å; F146-W185 HydrophobicContact CE2-CZ2 4.41Å |
| 147 | V | 94.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 47.2 Ų | 47.2 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 114.9 | 165.8 | -176.9 | 0 | 0 | 0 | 0 | 107.2 | Q127 R128 D154 V155 | Q127-V147 PolarHBondContact N-O 2.85Å; R128-V147 HydrophobicContact CB-CB 4.01Å; R128-V147 HydrophobicContact CB-CG2 4.09Å; R128-V147 PolarHBondContact N-O 2.79Å; R128-V147 PolarHBondContact O-N 2.88Å; V147-D154 HydrophobicContact CG1-CB 3.65Å; V147-V155 WeakPolarHBondContact CA-O 3.11Å |
| 148 | I | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.1 | -176.7 | -58.8 | 166.6 | 0 | 0 | 0 | 107.5 | A123 N125 I126 F146 V150 V155 A157 I180 I183 W185 | A123-I148 HydrophobicContact CB-CD1 3.62Å; A123-I148 HydrophobicContact CB-CG1 4.36Å; N125-I148 HydrophobicContact CB-CG2 4.27Å; I126-I148 HydrophobicContact CG1-CG1 3.97Å; F146-I148 HydrophobicContact CB-CD1 4.43Å; F146-I148 HydrophobicContact CB-CG1 4.22Å; I148-V150 HydrophobicContact CG2-CG2 4.3Å; I148-V155 PolarHBondContact N-O 2.04Å; I148-V155 PolarHBondContact O-N 2.94Å; I148-A157 HydrophobicContact CD1-CB 3.84Å; I148-I180 HydrophobicContact CB-CG2 4.28Å; I148-I180 HydrophobicContact CD1-CD1 4.22Å; I148-I180 HydrophobicContact CD1-CG2 4.2Å; I148-I180 HydrophobicContact CG2-CG2 4.06Å; I148-I183 HydrophobicContact CG2-CD1 3.96Å; I148-W185 HydrophobicContact CD1-CE3 4.47Å; I148-W185 HydrophobicContact CD1-CZ3 3.83Å |
| 149 | T | 93.1 | Very high | 93.6 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 19% | 0.19 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 125.4 | 176.1 | -54.4 | 0 | 0 | 0 | 0 | 110.1 | N125 Q127 T153 D154 | N125-T149 PolarHBondContact O-N 2.88Å; Q127-T149 WeakPolarHBondContact CG-OG1 3.43Å; T149-T153 WeakPolarHBondContact CA-O 3.3Å; T149-D154 PolarHBondContact OG1-OD1 2.82Å |
| 150 | V | 92.2 | Very high | 93.6 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 120.7 | 175.4 | -169.5 | 0 | 0 | 0 | 0 | 108.4 | I148 D152 T153 V155 E179 I180 I183 | I148-V150 HydrophobicContact CG2-CG2 4.3Å; V150-D152 VanDerWaalsContact C-N 3.28Å; V150-D152 PolarHBondContact O-N 2.83Å; V150-T153 PolarHBondContact N-O 2.77Å; V150-T153 WeakPolarHBondContact O-CA 3.37Å; V150-T153 WeakPolarHBondContact O-CB 3.38Å; V150-T153 PolarHBondContact O-N 2.79Å; V150-T153 VanDerWaalsContact O-O 3.12Å; V150-V155 HydrophobicContact CB-CG2 4.32Å; V150-V155 HydrophobicContact CG2-CG2 3.96Å; V150-E179 WeakPolarHBondContact CG1-O 3.28Å; V150-I180 HydrophobicContact CG2-CG2 3.69Å; V150-I183 HydrophobicContact CB-CD1 4.45Å; V150-I183 HydrophobicContact CG1-CD1 4.39Å; V150-I183 HydrophobicContact CG2-CD1 3.56Å |
| 151 | N | 91.2 | Very high | 93.7 | Very high | 152 Ų | 152 | 39.4 Ų | 39.4 | 81% | 0.813 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 50.7 | 179.8 | -58.4 | -36 | 0 | 0 | 0 | 112.5 | T153 | N151-T153 PolarHBondContact O-N 2.79Å; N151-T153 VanDerWaalsContact O-N 3.09Å |
| 152 | D | 89.2 | Confident | 93.7 | Very high | 162 Ų | 162 | 39.7 Ų | 39.7 | 87% | 0.866 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 13.7 | -177.4 | -53.9 | -46.5 | 0 | 0 | 0 | 115.7 | V150 | V150-D152 VanDerWaalsContact C-N 3.28Å; V150-D152 PolarHBondContact O-N 2.83Å |
| 153 | T | 93.1 | Very high | 93.9 | Very high | 87 Ų | 87 | 39.7 Ų | 39.7 | 53% | 0.534 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132 | 176 | -55.5 | 0 | 0 | 0 | 0 | 110.5 | T149 V150 N151 | T149-T153 WeakPolarHBondContact CA-O 3.3Å; V150-T153 PolarHBondContact N-O 2.77Å; V150-T153 WeakPolarHBondContact O-CA 3.37Å; V150-T153 WeakPolarHBondContact O-CB 3.38Å; V150-T153 PolarHBondContact O-N 2.79Å; V150-T153 VanDerWaalsContact O-O 3.12Å; N151-T153 PolarHBondContact O-N 2.79Å; N151-T153 VanDerWaalsContact O-N 3.09Å |
| 154 | D | 94.6 | Very high | 94.1 | Very high | 103 Ų | 103 | 39.6 Ų | 39.6 | 55% | 0.551 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.7 | 177.3 | -78.9 | -9.5 | 0 | 0 | 0 | 111.4 | V147 T149 | V147-D154 HydrophobicContact CG1-CB 3.65Å; T149-D154 PolarHBondContact OG1-OD1 2.82Å |
| 155 | V | 95.4 | Very high | 94.2 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.4 | 179.7 | -161.7 | 0 | 0 | 0 | 0 | 109.9 | V147 I148 V150 P177 E179 | V147-V155 WeakPolarHBondContact CA-O 3.11Å; I148-V155 PolarHBondContact N-O 2.04Å; I148-V155 PolarHBondContact O-N 2.94Å; V150-V155 HydrophobicContact CB-CG2 4.32Å; V150-V155 HydrophobicContact CG2-CG2 3.96Å; V155-P177 HydrophobicContact CB-CG 4.38Å; V155-P177 HydrophobicContact CG1-CB 3.51Å; V155-P177 HydrophobicContact CG1-CG 3.4Å; V155-P177 VanDerWaalsContact CG1-CG 3.4Å; V155-E179 HydrophobicContact CG1-CB 4.3Å; V155-E179 HydrophobicContact CG2-CB 4.11Å |
| 156 | S | 95.3 | Very high | 94.2 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121 | -177.8 | 168.4 | 0 | 0 | 0 | 0 | 111.7 | N145 F146 N175 | N145-S156 PolarHBondContact OD1-OG 2.77Å; F146-S156 CarbonylContact O-C 3.56Å; F146-S156 VanDerWaalsContact O-CA 3.32Å; F146-S156 WeakPolarHBondContact O-CA 3.29Å; S156-N175 PolarHBondContact O-ND2 3.3Å |
| 157 | A | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | N145 F146 I148 N175 P177 W185 | N145-A157 CarbonylContact C-O 3.55Å; N145-A157 WeakPolarHBondContact CA-O 3.4Å; F146-A157 PolarHBondContact N-O 2.82Å; F146-A157 PolarHBondContact O-N 3.17Å; I148-A157 HydrophobicContact CD1-CB 3.84Å; A157-N175 CarbonylContact C-O 3.47Å; A157-N175 VanDerWaalsContact CA-O 3.28Å; A157-N175 WeakPolarHBondContact CA-O 3.37Å; A157-P177 HydrophobicContact CB-CG 4.4Å; A157-W185 HydrophobicContact CB-CH2 3.67Å; A157-W185 HydrophobicContact CB-CZ3 3.57Å |
| 158 | K | 94.7 | Very high | 94.3 | Very high | 85 Ų | 85 | 44.2 Ų | 44.2 | 37% | 0.37 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.6 | -176.1 | -63.1 | 177.6 | -175.7 | 172.8 | 0 | 110.9 | R144 N145 D174 N175 | R144-K158 VanDerWaalsContact O-CA 3.29Å; R144-K158 WeakPolarHBondContact O-CA 3.26Å; N145-K158 HydrophobicContact CB-CG 4.15Å; K158-D174 HydrophobicContact CB-CB 3.81Å; K158-D174 WeakPolarHBondContact O-CB 3.29Å; K158-D174 PolarHBondContact O-N 2.89Å; K158-N175 HydrophobicContact CB-CB 4.14Å; K158-N175 PolarHBondContact N-O 2.9Å; K158-N175 PolarHBondContact O-N 3.11Å |
| 159 | M | 94.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 159.3 | 176.9 | 59.2 | 122.7 | -58.5 | 0 | 0 | 111.1 | N121 K143 R144 F146 S161 Y172 D174 W185 | N121-M159 HydrophobicContact CB-CE 4.33Å; N121-M159 HydrophobicContact CB-SD 3.2Å; N121-M159 WeakPolarHBondContact CB-SD 3.42Å; N121-M159 VanDerWaalsContact CG-SD 3.55Å; K143-M159 WeakPolarHBondContact CA-O 3.5Å; R144-M159 HydrophobicContact CB-CG 4.24Å; R144-M159 PolarHBondContact N-O 3.45Å; R144-M159 PolarHBondContact O-N 3.01Å; F146-M159 HydrophobicContact CD2-CG 4.42Å; F146-M159 HydrophobicContact CE2-CG 3.84Å; F146-M159 HydrophobicContact CE2-SD 4.08Å; M159-S161 VanDerWaalsContact CE-N 3.27Å; M159-S161 VanDerWaalsContact CE-OG 3.24Å; M159-S161 WeakPolarHBondContact CE-OG 3.5Å; M159-Y172 CarbonylContact C-O 3.49Å; M159-Y172 VanDerWaalsContact CA-O 3.23Å; M159-Y172 WeakPolarHBondContact CA-O 3.41Å; M159-Y172 WeakPolarHBondContact CB-O 3.26Å; M159-D174 WeakPolarHBondContact CA-OD2 3.37Å; M159-W185 HydrophobicContact CG-CZ2 4.42Å |
| 160 | T | 94.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 124.6 | 178.2 | -54 | 0 | 0 | 0 | 0 | 110.4 | F69 V142 K143 V162 Y172 D174 | F69-T160 HydrophobicContact CE2-CG2 4.01Å; V142-T160 WeakPolarHBondContact O-CA 3.34Å; K143-T160 HydrophobicContact CB-CG2 4.27Å; T160-V162 HydrophobicContact CG2-CG2 4.11Å; T160-Y172 PolarHBondContact N-O 2.72Å; T160-Y172 PolarHBondContact O-N 2.9Å; T160-D174 PolarHBondContact N-OD2 3.44Å; T160-D174 PolarHBondContact OG1-OD2 2.76Å |
| 161 | S | 95.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 138.6 | 168.7 | -62.8 | 0 | 0 | 0 | 0 | 109.5 | N121 A141 V142 M159 T170 L171 | N121-S161 PolarHBondContact ND2-OG 3.38Å; A141-S161 CarbonylContact C-O 3.58Å; A141-S161 VanDerWaalsContact CA-O 3.31Å; A141-S161 WeakPolarHBondContact CA-O 3.28Å; V142-S161 PolarHBondContact N-O 3.08Å; V142-S161 PolarHBondContact O-N 2.97Å; M159-S161 VanDerWaalsContact CE-N 3.27Å; M159-S161 VanDerWaalsContact CE-OG 3.24Å; M159-S161 WeakPolarHBondContact CE-OG 3.5Å; S161-T170 CarbonylContact C-O 3.59Å; S161-T170 WeakPolarHBondContact CA-O 3.38Å; S161-L171 WeakPolarHBondContact OG-CD2 3.33Å |
| 162 | V | 95.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.2 | 178.7 | -174 | 0 | 0 | 0 | 0 | 109.5 | L67 F69 L139 L140 A141 T160 Q164 I169 T170 | L67-V162 HydrophobicContact CD1-CG2 3.81Å; F69-V162 HydrophobicContact CE1-CG2 4.37Å; F69-V162 HydrophobicContact CE2-CG2 4.45Å; F69-V162 HydrophobicContact CZ-CG2 3.62Å; L139-V162 HydrophobicContact CB-CG1 4.02Å; L139-V162 HydrophobicContact CD1-CG1 4.07Å; L139-V162 HydrophobicContact CD2-CG1 4.37Å; L139-V162 HydrophobicContact CG-CG1 4.4Å; L140-V162 CarbonylContact O-C 3.51Å; L140-V162 VanDerWaalsContact O-CA 3.28Å; L140-V162 WeakPolarHBondContact O-CA 3.3Å; A141-V162 HydrophobicContact CB-CG2 4.17Å; T160-V162 HydrophobicContact CG2-CG2 4.11Å; V162-Q164 HydrophobicContact CG1-CG 4.25Å; V162-I169 CarbonylContact O-C 3.53Å; V162-I169 VanDerWaalsContact O-CA 3.3Å; V162-I169 WeakPolarHBondContact O-CA 3.44Å; V162-T170 PolarHBondContact N-O 3.29Å; V162-T170 PolarHBondContact O-N 2.72Å |
| 163 | I | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.5 | 171.1 | -58.6 | 162.9 | 0 | 0 | 0 | 107.6 | F86 F88 I106 L108 I119 L139 L140 I169 | F86-I163 HydrophobicContact CE2-CG2 4.38Å; F86-I163 HydrophobicContact CZ-CG2 4.35Å; F86-I163 WeakPolarHBondContact CZ-O 3.45Å; F88-I163 HydrophobicContact CD1-CG2 4.34Å; F88-I163 HydrophobicContact CD2-CG2 3.86Å; F88-I163 HydrophobicContact CE1-CG2 4.14Å; F88-I163 HydrophobicContact CE2-CG2 3.68Å; F88-I163 HydrophobicContact CG-CG2 4.2Å; F88-I163 HydrophobicContact CZ-CD1 4.44Å; F88-I163 HydrophobicContact CZ-CG2 3.82Å; I106-I163 HydrophobicContact CG2-CD1 4.2Å; L108-I163 HydrophobicContact CD2-CD1 4.23Å; I119-I163 HydrophobicContact CD1-CD1 3.63Å; I119-I163 HydrophobicContact CD1-CG1 3.62Å; L139-I163 WeakPolarHBondContact CA-O 3.44Å; L139-I163 WeakPolarHBondContact CB-O 3.44Å; L140-I163 HydrophobicContact CB-CB 4.39Å; L140-I163 HydrophobicContact CD2-CD1 4.03Å; L140-I163 PolarHBondContact N-O 3.21Å; L140-I163 PolarHBondContact O-N 2.89Å; I163-I169 HydrophobicContact CG1-CG1 4.39Å |
| 164 | Q | 95.5 | Very high | 95.6 | Very high | 56 Ų | 56 | 24.9 Ų | 24.9 | 26% | 0.262 | 13% | 0.133 | S | C | . | . | trans | -111.2 | 160 | 179.3 | -64.3 | 178 | -93.7 | 0 | 0 | 111.5 | L139 V162 N166 G167 K168 | L139-Q164 HydrophobicContact CB-CG 4.25Å; V162-Q164 HydrophobicContact CG1-CG 4.25Å; Q164-N166 WeakPolarHBondContact CB-OD1 3.44Å; Q164-N166 PolarHBondContact O-N 2.83Å; Q164-N166 VanDerWaalsContact O-N 3.14Å; Q164-G167 PolarHBondContact O-N 2.95Å; Q164-K168 HydrophobicContact CB-CB 4.39Å; Q164-K168 PolarHBondContact N-O 3.42Å; Q164-K168 VanDerWaalsContact OE1-CD 3.27Å | ||
| 165 | P | 95.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 23.1 Ų | 23.1 | 36% | 0.357 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.6 | -179.5 | -28.2 | 33.3 | 0 | 0 | 0 | 115.5 | F86 F88 N137 E138 G167 | F86-P165 HydrophobicContact CB-CB 4.42Å; F86-P165 HydrophobicContact CB-CG 4.06Å; F86-P165 HydrophobicContact CD1-CG 4.39Å; F86-P165 HydrophobicContact CD2-CB 3.88Å; F86-P165 HydrophobicContact CD2-CG 3.73Å; F86-P165 HydrophobicContact CE2-CB 4.5Å; F86-P165 HydrophobicContact CE2-CG 4.24Å; F86-P165 HydrophobicContact CG-CB 4.3Å; F86-P165 HydrophobicContact CG-CG 3.79Å; F88-P165 WeakPolarHBondContact CB-O 3.49Å; N137-P165 WeakPolarHBondContact O-CG 3.42Å; E138-P165 WeakPolarHBondContact O-CD 3.45Å; P165-G167 PolarHBondContact O-N 2.92Å |
| 166 | N | 92.8 | Very high | 95.7 | Very high | 78 Ų | 78 | 23 Ų | 23 | 42% | 0.417 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 3 | 176.1 | 67 | -5.9 | 0 | 0 | 0 | 113.7 | Q164 K168 D259 | Q164-N166 WeakPolarHBondContact CB-OD1 3.44Å; Q164-N166 PolarHBondContact O-N 2.83Å; Q164-N166 VanDerWaalsContact O-N 3.14Å; N166-K168 VanDerWaalsContact C-N 3.3Å; N166-K168 WeakPolarHBondContact OD1-CB 3.39Å; N166-K168 PolarHBondContact OD1-N 3.07Å; N166-D259 PolarHBondContact ND2-OD2 3.21Å |
| 167 | G | 94.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 81.6 | 3.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q164 P165 I169 | Q164-G167 PolarHBondContact O-N 2.95Å; P165-G167 PolarHBondContact O-N 2.92Å; G167-I169 PolarHBondContact O-N 3Å |
| 168 | K | 95.5 | Very high | 95.5 | Very high | 24 Ų | 24 | 27 Ų | 27 | 10% | 0.104 | 15% | 0.145 | C | C | . | . | trans | -65.1 | 131.6 | 172.7 | -180 | 174.5 | 171.1 | -176.5 | 0 | 109.9 | Q164 N166 E218 Y219 E220 | Q164-K168 HydrophobicContact CB-CB 4.39Å; Q164-K168 PolarHBondContact N-O 3.42Å; Q164-K168 VanDerWaalsContact OE1-CD 3.27Å; N166-K168 VanDerWaalsContact C-N 3.3Å; N166-K168 WeakPolarHBondContact OD1-CB 3.39Å; N166-K168 PolarHBondContact OD1-N 3.07Å; K168-E218 WeakPolarHBondContact CE-OE1 3.24Å; K168-E218 IonicContact NZ-OE1 3.35Å; K168-E218 PolarHBondContact NZ-OE1 3.36Å; K168-Y219 WeakPolarHBondContact CA-O 3.16Å; K168-Y219 WeakPolarHBondContact CG-O 3.15Å; K168-E220 HydrophobicContact CD-CG 4.22Å; K168-E220 HydrophobicContact CG-CG 4.37Å | ||
| 169 | I | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.4 | 175.9 | -60.7 | 165.2 | 0 | 0 | 0 | 107.9 | F90 I119 V162 I163 G167 L171 I189 Y219 | F90-I169 HydrophobicContact CD2-CD1 3.96Å; F90-I169 HydrophobicContact CE2-CD1 3.72Å; I119-I169 HydrophobicContact CD1-CD1 4.01Å; I119-I169 HydrophobicContact CD1-CG1 4.15Å; I119-I169 HydrophobicContact CD1-CG2 3.66Å; I119-I169 HydrophobicContact CG1-CD1 4.08Å; I119-I169 HydrophobicContact CG1-CG2 4.05Å; I119-I169 HydrophobicContact CG2-CG2 4.48Å; V162-I169 CarbonylContact O-C 3.53Å; V162-I169 VanDerWaalsContact O-CA 3.3Å; V162-I169 WeakPolarHBondContact O-CA 3.44Å; I163-I169 HydrophobicContact CG1-CG1 4.39Å; G167-I169 PolarHBondContact O-N 3Å; I169-L171 HydrophobicContact CG2-CD2 4.29Å; I169-I189 HydrophobicContact CD1-CG2 4.11Å; I169-I189 HydrophobicContact CG2-CG2 4.34Å; I169-Y219 HydrophobicContact CB-CD2 4.31Å; I169-Y219 HydrophobicContact CG2-CD2 4.24Å; I169-Y219 PolarHBondContact N-O 2.9Å; I169-Y219 PolarHBondContact O-N 2.61Å |
| 170 | T | 97.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.8 | 178.3 | -55.2 | 0 | 0 | 0 | 0 | 109.8 | L67 S161 V162 L216 V217 E218 | L67-T170 HydrophobicContact CD1-CG2 4.07Å; S161-T170 CarbonylContact C-O 3.59Å; S161-T170 WeakPolarHBondContact CA-O 3.38Å; V162-T170 PolarHBondContact N-O 3.29Å; V162-T170 PolarHBondContact O-N 2.72Å; T170-L216 HydrophobicContact CG2-CD1 3.37Å; T170-L216 HydrophobicContact CG2-CG 4.14Å; T170-V217 CarbonylContact C-O 3.57Å; T170-V217 VanDerWaalsContact CA-O 3.27Å; T170-V217 WeakPolarHBondContact CA-O 3.49Å; T170-E218 HydrophobicContact CG2-CG 4.07Å |
| 171 | L | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.5 | 172 | -49.3 | -179.2 | 0 | 0 | 0 | 108.2 | I119 S161 I169 S187 V206 V217 Y219 | I119-L171 HydrophobicContact CG2-CD2 3.64Å; S161-L171 WeakPolarHBondContact OG-CD2 3.33Å; I169-L171 HydrophobicContact CG2-CD2 4.29Å; L171-S187 VanDerWaalsContact CD1-OG 3.25Å; L171-S187 WeakPolarHBondContact CD1-OG 3.43Å; L171-V206 HydrophobicContact CD1-CG2 4.14Å; L171-V217 HydrophobicContact CB-CB 4.22Å; L171-V217 PolarHBondContact N-O 3.35Å; L171-V217 PolarHBondContact O-N 3.4Å; L171-Y219 HydrophobicContact CD1-CE2 3.83Å; L171-Y219 HydrophobicContact CG-CE2 4.17Å |
| 172 | Y | 97.2 | Very high | 94.4 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 6% | 0.059 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.3 | 175.4 | -179.3 | -110.7 | 0 | 0 | 0 | 109.4 | Q64 Q66 M159 T160 D174 T215 L216 | Q64-Y172 HydrophobicContact CB-CE2 4.33Å; Q64-Y172 PolarHBondContact O-OH 2.87Å; Q64-Y172 VanDerWaalsContact O-OH 3.11Å; Q66-Y172 VanDerWaalsContact CA-CE1 3.43Å; Q66-Y172 HydrophobicContact CB-CE1 3.71Å; Q66-Y172 HydrophobicContact CG-CD1 4.43Å; Q66-Y172 HydrophobicContact CG-CE1 3.96Å; Q66-Y172 PolarHBondContact N-OH 3.31Å; M159-Y172 CarbonylContact C-O 3.49Å; M159-Y172 VanDerWaalsContact CA-O 3.23Å; M159-Y172 WeakPolarHBondContact CA-O 3.41Å; M159-Y172 WeakPolarHBondContact CB-O 3.26Å; T160-Y172 PolarHBondContact N-O 2.72Å; T160-Y172 PolarHBondContact O-N 2.9Å; Y172-D174 HydrophobicContact CD1-CB 4.17Å; Y172-D174 WeakPolarHBondContact CD1-OD1 3.43Å; Y172-D174 WeakPolarHBondContact CD1-OD2 3.5Å; Y172-D174 VanDerWaalsContact CE1-CA 3.47Å; Y172-D174 HydrophobicContact CE1-CB 3.93Å; Y172-D174 VanDerWaalsContact CE1-CG 3.48Å; Y172-D174 VanDerWaalsContact CE1-OD1 3.3Å; Y172-D174 WeakPolarHBondContact CE1-OD1 3.37Å; Y172-D174 PolarHBondContact O-N 3.23Å; Y172-T215 WeakPolarHBondContact CD2-O 3.49Å; Y172-L216 HydrophobicContact CD2-CB 4.34Å; Y172-L216 HydrophobicContact CD2-CD1 3.9Å; Y172-L216 HydrophobicContact CG-CD1 4.37Å |
| 173 | F | 96.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 82.3 | 179 | -65.3 | -78.9 | 0 | 0 | 0 | 108.9 | N175 I176 W185 S187 V206 I211 K212 S213 G214 T215 V217 | F173-N175 PolarHBondContact O-N 3Å; F173-I176 HydrophobicContact CB-CD1 4.26Å; F173-I176 HydrophobicContact CB-CG1 3.77Å; F173-I176 HydrophobicContact CD1-CD1 3.83Å; F173-I176 HydrophobicContact CD1-CG1 4.01Å; F173-I176 HydrophobicContact CG-CG1 4.27Å; F173-W185 AromaticContact CE1-NE1 3.83Å; F173-S187 WeakPolarHBondContact CZ-OG 2.93Å; F173-V206 HydrophobicContact CE2-CG1 4.29Å; F173-V206 HydrophobicContact CZ-CG1 4.38Å; F173-I211 HydrophobicContact CD1-CG2 3.95Å; F173-I211 HydrophobicContact CE1-CB 4.4Å; F173-I211 HydrophobicContact CE1-CG1 4.33Å; F173-I211 HydrophobicContact CE1-CG2 3.63Å; F173-I211 HydrophobicContact CZ-CB 4.39Å; F173-I211 HydrophobicContact CZ-CG1 3.94Å; F173-I211 HydrophobicContact CZ-CG2 4.1Å; F173-K212 VanDerWaalsContact CB-O 3.24Å; F173-K212 WeakPolarHBondContact CB-O 3.47Å; F173-S213 CarbonylContact O-C 3.35Å; F173-S213 WeakPolarHBondContact O-CA 3.33Å; F173-G214 PolarHBondContact O-N 2.81Å; F173-T215 HydrophobicContact CD2-CG2 3.92Å; F173-T215 HydrophobicContact CE2-CG2 4.3Å; F173-T215 PolarHBondContact N-O 3.1Å; F173-V217 HydrophobicContact CE2-CG2 3.86Å |
| 174 | D | 94.8 | Very high | 93.8 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 13% | 0.134 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | -46.6 | -175 | -63.2 | -103 | 0 | 0 | 0 | 113.3 | Q66 K158 M159 T160 Y172 | Q66-D174 PolarHBondContact NE2-OD1 3.34Å; K158-D174 HydrophobicContact CB-CB 3.81Å; K158-D174 WeakPolarHBondContact O-CB 3.29Å; K158-D174 PolarHBondContact O-N 2.89Å; M159-D174 WeakPolarHBondContact CA-OD2 3.37Å; T160-D174 PolarHBondContact N-OD2 3.44Å; T160-D174 PolarHBondContact OG1-OD2 2.76Å; Y172-D174 HydrophobicContact CD1-CB 4.17Å; Y172-D174 WeakPolarHBondContact CD1-OD1 3.43Å; Y172-D174 WeakPolarHBondContact CD1-OD2 3.5Å; Y172-D174 VanDerWaalsContact CE1-CA 3.47Å; Y172-D174 HydrophobicContact CE1-CB 3.93Å; Y172-D174 VanDerWaalsContact CE1-CG 3.48Å; Y172-D174 VanDerWaalsContact CE1-OD1 3.3Å; Y172-D174 WeakPolarHBondContact CE1-OD1 3.37Å; Y172-D174 PolarHBondContact O-N 3.23Å |
| 175 | N | 94.8 | Very high | 93.7 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 112.6 | 177.3 | -178.5 | 58.2 | 0 | 0 | 0 | 110.1 | S156 A157 K158 F173 | S156-N175 PolarHBondContact O-ND2 3.3Å; A157-N175 CarbonylContact C-O 3.47Å; A157-N175 VanDerWaalsContact CA-O 3.28Å; A157-N175 WeakPolarHBondContact CA-O 3.37Å; K158-N175 HydrophobicContact CB-CB 4.14Å; K158-N175 PolarHBondContact N-O 2.9Å; K158-N175 PolarHBondContact O-N 3.11Å; F173-N175 PolarHBondContact O-N 3Å |
| 176 | I | 95.2 | Very high | 93.7 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | trans | -116.4 | 101.7 | 173.4 | -53.7 | -59.8 | 0 | 0 | 0 | 106.3 | F173 I180 W185 S213 | F173-I176 HydrophobicContact CB-CD1 4.26Å; F173-I176 HydrophobicContact CB-CG1 3.77Å; F173-I176 HydrophobicContact CD1-CD1 3.83Å; F173-I176 HydrophobicContact CD1-CG1 4.01Å; F173-I176 HydrophobicContact CG-CG1 4.27Å; I176-I180 HydrophobicContact CG2-CD1 3.82Å; I176-I180 HydrophobicContact CG2-CG1 4.37Å; I176-W185 HydrophobicContact CD1-CE3 4.45Å; I176-W185 HydrophobicContact CD1-CH2 3.56Å; I176-W185 HydrophobicContact CD1-CZ2 3.81Å; I176-W185 HydrophobicContact CD1-CZ3 3.91Å; I176-S213 PolarHBondContact N-OG 2.92Å; I176-S213 PolarHBondContact O-OG 2.82Å; I176-S213 VanDerWaalsContact O-OG 3.13Å | ||
| 177 | P | 94.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | trans | -64.9 | 146.7 | -174.8 | 20.6 | -25.7 | 0 | 0 | 0 | 111 | V155 A157 E179 I180 | V155-P177 HydrophobicContact CB-CG 4.38Å; V155-P177 HydrophobicContact CG1-CB 3.51Å; V155-P177 HydrophobicContact CG1-CG 3.4Å; V155-P177 VanDerWaalsContact CG1-CG 3.4Å; A157-P177 HydrophobicContact CB-CG 4.4Å; P177-E179 VanDerWaalsContact CB-OE2 3.27Å; P177-E179 WeakPolarHBondContact CB-OE2 3.11Å; P177-E179 PolarHBondContact O-N 3.46Å; P177-I180 HydrophobicContact CG-CD1 4.4Å; P177-I180 HydrophobicContact CG-CG1 4.02Å; P177-I180 HydrophobicContact CG-CG2 4.12Å; P177-I180 WeakPolarHBondContact O-CG1 3.4Å; P177-I180 PolarHBondContact O-N 3.06Å | ||
| 178 | T | 93.5 | Very high | 94 | Very high | 112 Ų | 112 | 43 Ų | 43 | 69% | 0.687 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -67.6 | -23.2 | 177.3 | 44.3 | 0 | 0 | 0 | 0 | 112.2 | I180 E181 | T178-I180 PolarHBondContact O-N 2.96Å; T178-E181 WeakPolarHBondContact O-CB 2.85Å; T178-E181 PolarHBondContact O-N 2.68Å |
| 179 | E | 93.1 | Very high | 94.1 | Very high | 112 Ų | 112 | 41.8 Ų | 41.8 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -64.1 | -23.8 | 179.7 | -63.3 | 89.8 | 147.5 | 0 | 0 | 112.6 | V150 V155 P177 E181 | V150-E179 WeakPolarHBondContact CG1-O 3.28Å; V155-E179 HydrophobicContact CG1-CB 4.3Å; V155-E179 HydrophobicContact CG2-CB 4.11Å; P177-E179 VanDerWaalsContact CB-OE2 3.27Å; P177-E179 WeakPolarHBondContact CB-OE2 3.11Å; P177-E179 PolarHBondContact O-N 3.46Å; E179-E181 VanDerWaalsContact C-N 3.29Å |
| 180 | I | 90.1 | Very high | 94 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.051 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -89.3 | 7.9 | 175 | 63.8 | 158 | 0 | 0 | 0 | 112.5 | I148 V150 I176 P177 T178 G182 I183 W185 | I148-I180 HydrophobicContact CB-CG2 4.28Å; I148-I180 HydrophobicContact CD1-CD1 4.22Å; I148-I180 HydrophobicContact CD1-CG2 4.2Å; I148-I180 HydrophobicContact CG2-CG2 4.06Å; V150-I180 HydrophobicContact CG2-CG2 3.69Å; I176-I180 HydrophobicContact CG2-CD1 3.82Å; I176-I180 HydrophobicContact CG2-CG1 4.37Å; P177-I180 HydrophobicContact CG-CD1 4.4Å; P177-I180 HydrophobicContact CG-CG1 4.02Å; P177-I180 HydrophobicContact CG-CG2 4.12Å; P177-I180 WeakPolarHBondContact O-CG1 3.4Å; P177-I180 PolarHBondContact O-N 3.06Å; T178-I180 PolarHBondContact O-N 2.96Å; I180-G182 PolarHBondContact O-N 3.24Å; I180-I183 HydrophobicContact CB-CB 4.37Å; I180-I183 HydrophobicContact CB-CD1 4.14Å; I180-I183 HydrophobicContact CB-CG1 4.47Å; I180-I183 HydrophobicContact CG2-CD1 4.19Å; I180-I183 VanDerWaalsContact O-CB 3.28Å; I180-I183 WeakPolarHBondContact O-CB 3.4Å; I180-I183 PolarHBondContact O-N 3.08Å; I180-W185 HydrophobicContact CD1-CE3 3.55Å; I180-W185 HydrophobicContact CD1-CZ3 3.62Å |
| 181 | E | 87.4 | Confident | 93.9 | Very high | 174 Ų | 174 | 42 Ų | 42 | 81% | 0.813 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 128.4 | 173.8 | -173.3 | 172.5 | -163.9 | 0 | 0 | 110.4 | T178 E179 I183 | T178-E181 WeakPolarHBondContact O-CB 2.85Å; T178-E181 PolarHBondContact O-N 2.68Å; E179-E181 VanDerWaalsContact C-N 3.29Å; E181-I183 VanDerWaalsContact C-N 3.34Å |
| 182 | G | 86 | Confident | 93.7 | Very high | 84 Ų | 84 | 43.2 Ų | 43.2 | 87% | 0.866 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90 | -12.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I180 | I180-G182 PolarHBondContact O-N 3.24Š|
| 183 | I | 89.2 | Confident | 93.4 | Very high | 33 Ų | 33 | 42.9 Ų | 42.9 | 17% | 0.169 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -77.8 | 131.1 | 165.4 | -59.5 | -173.9 | 0 | 0 | 0 | 108.2 | Q124 I148 V150 I180 E181 W185 | Q124-I183 HydrophobicContact CB-CG2 3.87Å; I148-I183 HydrophobicContact CG2-CD1 3.96Å; V150-I183 HydrophobicContact CB-CD1 4.45Å; V150-I183 HydrophobicContact CG1-CD1 4.39Å; V150-I183 HydrophobicContact CG2-CD1 3.56Å; I180-I183 HydrophobicContact CB-CB 4.37Å; I180-I183 HydrophobicContact CB-CD1 4.14Å; I180-I183 HydrophobicContact CB-CG1 4.47Å; I180-I183 HydrophobicContact CG2-CD1 4.19Å; I180-I183 VanDerWaalsContact O-CB 3.28Å; I180-I183 WeakPolarHBondContact O-CB 3.4Å; I180-I183 PolarHBondContact O-N 3.08Å; E181-I183 VanDerWaalsContact C-N 3.34Å; I183-W185 PolarHBondContact O-N 3.39Å |
| 184 | E | 91.3 | Very high | 93 | Very high | 104 Ų | 104 | 43.6 Ų | 43.6 | 49% | 0.486 | 25% | 0.246 | S | C | . | . | trans | -64.2 | 122 | 176.9 | -176.3 | -179.1 | -139.8 | 0 | 0 | 110.3 | A123 Q124 I186 | A123-E184 WeakPolarHBondContact CA-O 3.23Å; Q124-E184 HydrophobicContact CG-CB 4.04Å; Q124-E184 PolarHBondContact N-O 3.21Å; Q124-E184 PolarHBondContact NE2-OE2 2.92Å; E184-I186 HydrophobicContact CG-CG1 4.17Å | ||
| 185 | W | 93.5 | Very high | 92.8 | Very high | 25 Ų | 25 | 43 Ų | 43 | 10% | 0.095 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 120.1 | 170.9 | -169 | -61.8 | 0 | 0 | 0 | 109.5 | F122 A123 F146 I148 A157 M159 F173 I176 I180 I183 I211 | F122-W185 CarbonylContact O-C 3.59Å; F122-W185 WeakPolarHBondContact O-CA 2.94Å; A123-W185 HydrophobicContact CB-CD2 4.03Å; A123-W185 HydrophobicContact CB-CE3 3.5Å; A123-W185 VanDerWaalsContact CB-CE3 3.5Å; A123-W185 HydrophobicContact CB-CZ3 3.82Å; F146-W185 AromaticContact CD2-CH2 3.99Å; F146-W185 HydrophobicContact CD2-CH2 3.99Å; F146-W185 HydrophobicContact CD2-CZ2 4.44Å; F146-W185 HydrophobicContact CE2-CH2 4.41Å; F146-W185 HydrophobicContact CE2-CZ2 4.41Å; I148-W185 HydrophobicContact CD1-CE3 4.47Å; I148-W185 HydrophobicContact CD1-CZ3 3.83Å; A157-W185 HydrophobicContact CB-CH2 3.67Å; A157-W185 HydrophobicContact CB-CZ3 3.57Å; M159-W185 HydrophobicContact CG-CZ2 4.42Å; F173-W185 AromaticContact CE1-NE1 3.83Å; I176-W185 HydrophobicContact CD1-CE3 4.45Å; I176-W185 HydrophobicContact CD1-CH2 3.56Å; I176-W185 HydrophobicContact CD1-CZ2 3.81Å; I176-W185 HydrophobicContact CD1-CZ3 3.91Å; I180-W185 HydrophobicContact CD1-CE3 3.55Å; I180-W185 HydrophobicContact CD1-CZ3 3.62Å; I183-W185 PolarHBondContact O-N 3.39Å; W185-I211 HydrophobicContact CB-CD1 4.47Å; W185-I211 HydrophobicContact CB-CG2 4.22Å; W185-I211 HydrophobicContact CD2-CG2 4.1Å; W185-I211 HydrophobicContact CG-CD1 4.35Å; W185-I211 HydrophobicContact CG-CG2 3.72Å |
| 186 | I | 94.4 | Very high | 92.3 | Very high | 47 Ų | 47 | 43 Ų | 43 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.8 | 176.8 | -60 | 176 | 0 | 0 | 0 | 108.1 | E120 N121 F122 E184 K188 | E120-I186 HydrophobicContact CG-CG2 4.28Å; N121-I186 CarbonylContact C-O 3.56Å; N121-I186 VanDerWaalsContact CA-O 3.31Å; N121-I186 WeakPolarHBondContact CA-O 2.97Å; F122-I186 PolarHBondContact N-O 3.07Å; F122-I186 PolarHBondContact O-N 3.45Å; E184-I186 HydrophobicContact CG-CG1 4.17Å; I186-K188 HydrophobicContact CG2-CD 3.89Å; I186-K188 HydrophobicContact CG2-CG 4Å |
| 187 | S | 97.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 117.2 | 170.5 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | E120 N121 L171 F173 V206 | E120-S187 CarbonylContact O-C 3.58Å; E120-S187 VanDerWaalsContact O-CA 3.27Å; E120-S187 WeakPolarHBondContact O-CA 3.42Å; N121-S187 WeakPolarHBondContact OD1-CB 3.33Å; N121-S187 PolarHBondContact OD1-OG 3.05Å; L171-S187 VanDerWaalsContact CD1-OG 3.25Å; L171-S187 WeakPolarHBondContact CD1-OG 3.43Å; F173-S187 WeakPolarHBondContact CZ-OG 2.93Å; S187-V206 WeakPolarHBondContact O-CB 3.21Å; S187-V206 PolarHBondContact O-N 3.09Å; S187-V206 WeakPolarHBondContact OG-CG2 3.37Å |
| 188 | K | 97.2 | Very high | 91.5 | Very high | 28 Ų | 28 | 56.3 Ų | 56.3 | 12% | 0.122 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 162.3 | -174.2 | 60.9 | -174.9 | 179.6 | 170.3 | 0 | 112.2 | E120 I186 N190 E203 I204 P205 | E120-K188 HydrophobicContact CB-CG 4.11Å; E120-K188 PolarHBondContact N-O 3.24Å; E120-K188 PolarHBondContact O-N 3.47Å; E120-K188 WeakPolarHBondContact OE2-CE 3.46Å; E120-K188 IonicContact OE2-NZ 3.88Å; I186-K188 HydrophobicContact CG2-CD 3.89Å; I186-K188 HydrophobicContact CG2-CG 4Å; K188-N190 WeakPolarHBondContact CD-OD1 3.35Å; K188-N190 WeakPolarHBondContact CE-ND2 3.32Å; K188-N190 WeakPolarHBondContact CE-OD1 3.14Å; K188-N190 WeakPolarHBondContact CG-OD1 3Å; K188-E203 HydrophobicContact CD-CB 4.45Å; K188-E203 IonicContact NZ-OE1 3.24Å; K188-E203 PolarHBondContact NZ-OE1 2.7Å; K188-E203 IonicContact NZ-OE2 2.72Å; K188-E203 PolarHBondContact NZ-OE2 2.49Å; K188-I204 WeakPolarHBondContact CA-O 3.34Å; K188-P205 HydrophobicContact CB-CB 4.24Å |
| 189 | I | 97.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 134.4 | 159.5 | 60.4 | 172.4 | 0 | 0 | 0 | 108.7 | Y56 D118 I119 I169 E203 I204 Y219 | Y56-I189 HydrophobicContact CD1-CD1 4.44Å; Y56-I189 HydrophobicContact CD2-CD1 4.04Å; Y56-I189 HydrophobicContact CE2-CD1 4.27Å; Y56-I189 HydrophobicContact CG-CD1 4.13Å; D118-I189 WeakPolarHBondContact O-CA 3.48Å; I119-I189 HydrophobicContact CG1-CG2 4.07Å; I169-I189 HydrophobicContact CD1-CG2 4.11Å; I169-I189 HydrophobicContact CG2-CG2 4.34Å; I189-E203 CarbonylContact O-C 3.51Å; I189-E203 WeakPolarHBondContact O-CA 3.27Å; I189-I204 HydrophobicContact CD1-CB 4.26Å; I189-I204 HydrophobicContact CD1-CD1 3.82Å; I189-I204 HydrophobicContact CD1-CG1 4.41Å; I189-I204 HydrophobicContact CG1-CB 3.72Å; I189-I204 HydrophobicContact CG1-CD1 4.15Å; I189-I204 HydrophobicContact CG1-CG1 4.2Å; I189-I204 PolarHBondContact N-O 2.96Å; I189-I204 PolarHBondContact O-N 2.8Å; I189-Y219 HydrophobicContact CD1-CD1 3.65Å; I189-Y219 HydrophobicContact CD1-CE1 4.06Å; I189-Y219 HydrophobicContact CD1-CG 3.95Å; I189-Y219 HydrophobicContact CG1-CD1 4.12Å; I189-Y219 HydrophobicContact CG1-CE1 4Å; I189-Y219 HydrophobicContact CG2-CD2 4.15Å; I189-Y219 HydrophobicContact CG2-CE2 4.07Å; I189-Y219 HydrophobicContact CG2-CG 4.48Å |
| 190 | N | 96.2 | Very high | 91.2 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 143.3 | 178.7 | -56.3 | -54.7 | 0 | 0 | 0 | 109.5 | F90 G117 D118 E120 K188 H202 E203 | F90-N190 WeakPolarHBondContact CE1-O 3.37Å; F90-N190 WeakPolarHBondContact CZ-O 3.48Å; G117-N190 CarbonylContact C-O 3.5Å; G117-N190 WeakPolarHBondContact CA-O 3.49Å; D118-N190 PolarHBondContact N-O 3.18Å; D118-N190 PolarHBondContact O-N 3.39Å; D118-N190 WeakPolarHBondContact OD1-CB 3.21Å; D118-N190 PolarHBondContact OD1-ND2 3.07Å; E120-N190 PolarHBondContact OE2-ND2 3.34Å; K188-N190 WeakPolarHBondContact CD-OD1 3.35Å; K188-N190 WeakPolarHBondContact CE-ND2 3.32Å; K188-N190 WeakPolarHBondContact CE-OD1 3.14Å; K188-N190 WeakPolarHBondContact CG-OD1 3Å; N190-H202 CarbonylContact C-O 3.53Å; N190-H202 WeakPolarHBondContact CA-O 3.38Å; N190-E203 VanDerWaalsContact OD1-CG 3.24Å; N190-E203 WeakPolarHBondContact OD1-CG 3.37Å; N190-E203 PolarHBondContact OD1-OE1 2.96Å |
| 191 | A | 95.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.017 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 147.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F90 Y91 L116 F193 D201 H202 | F90-A191 HydrophobicContact CE1-CB 3.85Å; F90-A191 HydrophobicContact CZ-CB 4.3Å; Y91-A191 HydrophobicContact CD2-CB 3.79Å; Y91-A191 HydrophobicContact CE2-CB 3.36Å; L116-A191 WeakPolarHBondContact O-CA 3.42Å; A191-F193 HydrophobicContact CB-CE2 4.1Å; A191-F193 HydrophobicContact CB-CZ 4.03Å; A191-D201 CarbonylContact O-C 3.59Å; A191-D201 WeakPolarHBondContact O-CA 3.12Å; A191-H202 PolarHBondContact N-O 2.75Å; A191-H202 PolarHBondContact O-N 3.17Å |
| 192 | T | 93.3 | Very high | 91.7 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 124.1 | 176 | -63.6 | 0 | 0 | 0 | 0 | 109.8 | Y115 L116 F199 L200 D201 | Y115-T192 VanDerWaalsContact CE1-OG1 3.23Å; Y115-T192 WeakPolarHBondContact CE1-OG1 3.48Å; L116-T192 PolarHBondContact O-N 3.43Å; T192-F199 HydrophobicContact CG2-CB 3.76Å; T192-F199 HydrophobicContact CG2-CD1 3.74Å; T192-F199 HydrophobicContact CG2-CG 4.05Å; T192-L200 CarbonylContact C-O 3.49Å; T192-L200 WeakPolarHBondContact CA-O 3.39Å; T192-D201 WeakPolarHBondContact CB-OD1 3.41Å; T192-D201 WeakPolarHBondContact CG2-OD1 3.25Å; T192-D201 PolarHBondContact OG1-OD1 3.29Å |
| 193 | F | 91.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125 | -179.8 | -56 | -79.3 | 0 | 0 | 0 | 110.6 | H27 V29 L36 Y54 Y91 A191 F199 L200 H202 | H27-F193 HydrophobicContact CB-CD1 4.37Å; H27-F193 AromaticContact CD2-CD1 3.63Å; H27-F193 AromaticContact CG-CD1 3.93Å; V29-F193 HydrophobicContact CG2-CB 3.9Å; V29-F193 HydrophobicContact CG2-CD1 4.22Å; V29-F193 HydrophobicContact CG2-CD2 3.91Å; V29-F193 HydrophobicContact CG2-CE2 4.5Å; V29-F193 HydrophobicContact CG2-CG 3.74Å; L36-F193 HydrophobicContact CD1-CD2 4.4Å; L36-F193 HydrophobicContact CD2-CD2 4.18Å; L36-F193 HydrophobicContact CD2-CE2 3.74Å; Y54-F193 HydrophobicContact CD1-CZ 4.3Å; Y54-F193 HydrophobicContact CE1-CZ 4.06Å; Y91-F193 HydrophobicContact CD1-CE1 4.11Å; Y91-F193 AromaticContact CD1-CZ 3.64Å; Y91-F193 HydrophobicContact CD1-CZ 3.64Å; Y91-F193 HydrophobicContact CD2-CZ 4.41Å; Y91-F193 AromaticContact CE1-CZ 3.87Å; Y91-F193 HydrophobicContact CE1-CZ 3.87Å; Y91-F193 HydrophobicContact CG-CE1 4.13Å; Y91-F193 AromaticContact CG-CZ 3.95Å; Y91-F193 HydrophobicContact CG-CZ 3.95Å; A191-F193 HydrophobicContact CB-CE2 4.1Å; A191-F193 HydrophobicContact CB-CZ 4.03Å; F193-F199 CarbonylContact O-C 3.35Å; F193-F199 VanDerWaalsContact O-CA 3.3Å; F193-F199 WeakPolarHBondContact O-CA 3.35Å; F193-L200 PolarHBondContact N-O 3.18Å; F193-L200 PolarHBondContact O-N 3.4Å; F193-H202 HydrophobicContact CD2-CB 4.49Å; F193-H202 HydrophobicContact CE2-CB 3.82Å |
| 194 | G | 88.5 | Confident | 92.5 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 123.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 195 | C | 89 | Confident | 92.8 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 8% | 0.081 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 62 | 179.4 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | C30 M197 Y198 | C30-C195 WeakPolarHBondContact CA-SG 3.49Å; C30-C195 HydrophobicContact CB-CB 3.67Å; C30-C195 WeakPolarHBondContact CB-SG 3.24Å; C30-C195 WeakPolarHBondContact SG-CA 3.45Å; C30-C195 WeakPolarHBondContact SG-CB 3.45Å; C30-C195 CovalentContact SG-SG 2.03Å; C30-C195 PolarHBondContact SG-SG 3.04Å; C195-M197 PolarHBondContact O-N 3.03Å; C195-M197 VanDerWaalsContact O-N 3.13Å; C195-Y198 CarbonylContact C-O 3.56Å; C195-Y198 HydrophobicContact CB-CD1 4.43Å; C195-Y198 HydrophobicContact CB-CD2 3.87Å; C195-Y198 HydrophobicContact CB-CE1 3.99Å; C195-Y198 HydrophobicContact CB-CE2 3.38Å; C195-Y198 HydrophobicContact CB-CG 4.36Å; C195-Y198 VanDerWaalsContact CB-CZ 3.44Å; C195-Y198 PolarHBondContact N-O 3.23Å; C195-Y198 WeakPolarHBondContact O-CD1 3.37Å; C195-Y198 VanDerWaalsContact O-CE1 3.23Å; C195-Y198 WeakPolarHBondContact O-CE1 3.44Å |
| 196 | G | 85.2 | Confident | 93 | Very high | 66 Ų | 66 | 47 Ų | 47 | 68% | 0.68 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | -101 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 197 | M | 84.3 | Confident | 93 | Very high | 192 Ų | 192 | 46.3 Ų | 46.3 | 95% | 0.946 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -7.9 | -176.5 | -67.8 | -171.3 | 69 | 0 | 0 | 114.5 | C195 | C195-M197 PolarHBondContact O-N 3.03Å; C195-M197 VanDerWaalsContact O-N 3.13Å |
| 198 | Y | 88.5 | Confident | 92.9 | Very high | 119 Ų | 119 | 49.9 Ų | 49.9 | 47% | 0.467 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 166.3 | 178 | 64.4 | -86.3 | 0 | 0 | 0 | 110.6 | C195 L200 | C195-Y198 CarbonylContact C-O 3.56Å; C195-Y198 HydrophobicContact CB-CD1 4.43Å; C195-Y198 HydrophobicContact CB-CD2 3.87Å; C195-Y198 HydrophobicContact CB-CE1 3.99Å; C195-Y198 HydrophobicContact CB-CE2 3.38Å; C195-Y198 HydrophobicContact CB-CG 4.36Å; C195-Y198 VanDerWaalsContact CB-CZ 3.44Å; C195-Y198 PolarHBondContact N-O 3.23Å; C195-Y198 WeakPolarHBondContact O-CD1 3.37Å; C195-Y198 VanDerWaalsContact O-CE1 3.23Å; C195-Y198 WeakPolarHBondContact O-CE1 3.44Å; Y198-L200 HydrophobicContact CD2-CD2 4.21Å; Y198-L200 HydrophobicContact CD2-CG 4.29Å; Y198-L200 HydrophobicContact CE2-CD1 4.37Å; Y198-L200 HydrophobicContact CE2-CD2 3.99Å; Y198-L200 HydrophobicContact CE2-CG 3.97Å |
| 199 | F | 89 | Confident | 92.7 | Very high | 133 Ų | 133 | 54.5 Ų | 54.5 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 148.1 | 177.3 | -63.8 | -84.1 | 0 | 0 | 0 | 109.6 | T192 F193 | T192-F199 HydrophobicContact CG2-CB 3.76Å; T192-F199 HydrophobicContact CG2-CD1 3.74Å; T192-F199 HydrophobicContact CG2-CG 4.05Å; F193-F199 CarbonylContact O-C 3.35Å; F193-F199 VanDerWaalsContact O-CA 3.3Å; F193-F199 WeakPolarHBondContact O-CA 3.35Å |
| 200 | L | 92.2 | Very high | 92.7 | Very high | 35 Ų | 35 | 54.8 Ų | 54.8 | 18% | 0.183 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.8 | 170.3 | -65.6 | 176.7 | 0 | 0 | 0 | 108.6 | V29 P33 L36 T192 F193 Y198 | V29-L200 HydrophobicContact CB-CD1 4.44Å; V29-L200 HydrophobicContact CG2-CD1 4.48Å; V29-L200 VanDerWaalsContact O-CD1 3.28Å; V29-L200 WeakPolarHBondContact O-CD1 3.2Å; P33-L200 HydrophobicContact CB-CD1 4.26Å; P33-L200 HydrophobicContact CG-CD1 4.33Å; L36-L200 HydrophobicContact CD1-CB 3.77Å; L36-L200 HydrophobicContact CD1-CD1 4.21Å; T192-L200 CarbonylContact C-O 3.49Å; T192-L200 WeakPolarHBondContact CA-O 3.39Å; F193-L200 PolarHBondContact N-O 3.18Å; F193-L200 PolarHBondContact O-N 3.4Å; Y198-L200 HydrophobicContact CD2-CD2 4.21Å; Y198-L200 HydrophobicContact CD2-CG 4.29Å; Y198-L200 HydrophobicContact CE2-CD1 4.37Å; Y198-L200 HydrophobicContact CE2-CD2 3.99Å; Y198-L200 HydrophobicContact CE2-CG 3.97Å |
| 201 | D | 92.7 | Very high | 92.6 | Very high | 113 Ų | 113 | 55.3 Ų | 55.3 | 60% | 0.604 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 144.9 | 175.2 | -62.3 | -37.7 | 0 | 0 | 0 | 110.2 | A191 T192 | A191-D201 CarbonylContact O-C 3.59Å; A191-D201 WeakPolarHBondContact O-CA 3.12Å; T192-D201 WeakPolarHBondContact CB-OD1 3.41Å; T192-D201 WeakPolarHBondContact CG2-OD1 3.25Å; T192-D201 PolarHBondContact OG1-OD1 3.29Å |
| 202 | H | 94.4 | Very high | 92.7 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 133.4 | 178.4 | 174.3 | 55 | 0 | 0 | 0 | 109.5 | L36 Y91 N190 A191 F193 I204 | L36-H202 HydrophobicContact CB-CB 4.44Å; L36-H202 HydrophobicContact CD1-CB 4.24Å; L36-H202 HydrophobicContact CD2-CB 3.69Å; L36-H202 HydrophobicContact CG-CB 4.34Å; L36-H202 PolarHBondContact O-CE1 2.71Å; L36-H202 PolarHBondContact O-ND1 2.79Å; L36-H202 VanDerWaalsContact O-ND1 3.11Å; Y91-H202 AromaticContact CE1-CD2 3.88Å; Y91-H202 AromaticContact CZ-CD2 3.67Å; Y91-H202 PolarHBondContact OH-CD2 2.81Å; Y91-H202 PolarHBondContact OH-NE2 3.11Å; N190-H202 CarbonylContact C-O 3.53Å; N190-H202 WeakPolarHBondContact CA-O 3.38Å; A191-H202 PolarHBondContact N-O 2.75Å; A191-H202 PolarHBondContact O-N 3.17Å; F193-H202 HydrophobicContact CD2-CB 4.49Å; F193-H202 HydrophobicContact CE2-CB 3.82Å; H202-I204 WeakPolarHBondContact NE2-CD1 3.44Å; H202-I204 WeakPolarHBondContact NE2-CG1 3.38Å |
| 203 | E | 95.5 | Very high | 92.8 | Very high | 99 Ų | 99 | 60.6 Ų | 60.6 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 140.9 | -177.2 | -49.2 | -166.9 | 155.6 | 0 | 0 | 109.5 | K188 I189 N190 | K188-E203 HydrophobicContact CD-CB 4.45Å; K188-E203 IonicContact NZ-OE1 3.24Å; K188-E203 PolarHBondContact NZ-OE1 2.7Å; K188-E203 IonicContact NZ-OE2 2.72Å; K188-E203 PolarHBondContact NZ-OE2 2.49Å; I189-E203 CarbonylContact O-C 3.51Å; I189-E203 WeakPolarHBondContact O-CA 3.27Å; N190-E203 VanDerWaalsContact OD1-CG 3.24Å; N190-E203 WeakPolarHBondContact OD1-CG 3.37Å; N190-E203 PolarHBondContact OD1-OE1 2.96Å |
| 204 | I | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 91 | 170.5 | -52.5 | 171.4 | 0 | 0 | 0 | 108.4 | H53 Y56 K188 I189 H202 Y219 | H53-I204 HydrophobicContact CB-CD1 3.49Å; H53-I204 VanDerWaalsContact CB-CD1 3.49Å; H53-I204 HydrophobicContact CB-CG1 3.99Å; H53-I204 HydrophobicContact CB-CG2 4.22Å; H53-I204 VanDerWaalsContact CD2-CG2 3.45Å; H53-I204 WeakPolarHBondContact CD2-CG2 3.29Å; H53-I204 WeakPolarHBondContact NE2-CG2 3.15Å; Y56-I204 HydrophobicContact CD2-CD1 4.27Å; Y56-I204 HydrophobicContact CG-CD1 4.43Å; K188-I204 WeakPolarHBondContact CA-O 3.34Å; I189-I204 HydrophobicContact CD1-CB 4.26Å; I189-I204 HydrophobicContact CD1-CD1 3.82Å; I189-I204 HydrophobicContact CD1-CG1 4.41Å; I189-I204 HydrophobicContact CG1-CB 3.72Å; I189-I204 HydrophobicContact CG1-CD1 4.15Å; I189-I204 HydrophobicContact CG1-CG1 4.2Å; I189-I204 PolarHBondContact N-O 2.96Å; I189-I204 PolarHBondContact O-N 2.8Å; H202-I204 WeakPolarHBondContact NE2-CD1 3.44Å; H202-I204 WeakPolarHBondContact NE2-CG1 3.38Å; I204-Y219 HydrophobicContact CB-CE1 4.05Å; I204-Y219 HydrophobicContact CG2-CD1 4.26Å; I204-Y219 HydrophobicContact CG2-CE1 3.61Å; I204-Y219 PolarHBondContact O-OH 2.98Å |
| 205 | P | 97 | Very high | 93.5 | Very high | 65 Ų | 65 | 60 Ų | 60 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 143.2 | -176.8 | 31.5 | -34.7 | 0 | 0 | 0 | 112.8 | K188 P207 | K188-P205 HydrophobicContact CB-CB 4.24Å; P205-P207 WeakPolarHBondContact O-CD 3.27Å |
| 206 | V | 97.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 120.7 | 160.6 | -175.2 | 0 | 0 | 0 | 0 | 107.2 | I60 L171 F173 S187 A208 W210 I211 V217 Y219 | I60-V206 HydrophobicContact CD1-CG1 4.32Å; L171-V206 HydrophobicContact CD1-CG2 4.14Å; F173-V206 HydrophobicContact CE2-CG1 4.29Å; F173-V206 HydrophobicContact CZ-CG1 4.38Å; S187-V206 WeakPolarHBondContact O-CB 3.21Å; S187-V206 PolarHBondContact O-N 3.09Å; S187-V206 WeakPolarHBondContact OG-CG2 3.37Å; V206-A208 PolarHBondContact O-N 2.89Å; V206-W210 HydrophobicContact CG1-CB 4.17Å; V206-I211 HydrophobicContact CB-CD1 4.37Å; V206-I211 HydrophobicContact CB-CG1 4.29Å; V206-I211 HydrophobicContact CG1-CD1 4.42Å; V206-I211 HydrophobicContact CG1-CG1 3.8Å; V206-V217 HydrophobicContact CG1-CG2 3.84Å; V206-V217 HydrophobicContact CG2-CB 4.41Å; V206-V217 HydrophobicContact CG2-CG1 4.05Å; V206-V217 HydrophobicContact CG2-CG2 3.98Å; V206-Y219 VanDerWaalsContact CG2-OH 3.23Å; V206-Y219 WeakPolarHBondContact CG2-OH 3.12Å |
| 207 | P | 95.7 | Very high | 94.5 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 21% | 0.208 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 134 | 179.3 | -9.5 | 19.2 | 0 | 0 | 0 | 110.3 | R49 P205 K209 W210 | R49-P207 VanDerWaalsContact NH1-CG 3.29Å; P205-P207 WeakPolarHBondContact O-CD 3.27Å; P207-K209 PolarHBondContact O-N 2.8Å; P207-W210 WeakPolarHBondContact O-CB 3.23Å; P207-W210 PolarHBondContact O-N 2.93Å |
| 208 | A | 94 | Very high | 95.1 | Very high | 77 Ų | 77 | 48.4 Ų | 48.4 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -50.4 | -36.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.4 | V206 W210 I211 | V206-A208 PolarHBondContact O-N 2.89Å; A208-W210 PolarHBondContact O-N 2.89Å; A208-I211 PolarHBondContact O-N 3.27Å |
| 209 | K | 94.3 | Very high | 95.5 | Very high | 126 Ų | 126 | 42.7 Ų | 42.7 | 55% | 0.548 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -59 | -19.8 | 177.8 | 72.7 | 176.8 | -175.5 | 176.8 | 0 | 114.8 | E44 P207 | E44-K209 IonicContact OE1-NZ 2.65Å; E44-K209 PolarHBondContact OE1-NZ 2.7Å; E44-K209 IonicContact OE2-NZ 3.6Å; P207-K209 PolarHBondContact O-N 2.8Å |
| 210 | W | 96.1 | Very high | 95.8 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -93.7 | -14.2 | 178.8 | -64.3 | 101.5 | 0 | 0 | 0 | 112.8 | E44 N45 Y48 R49 I60 L62 V206 P207 A208 K212 T215 | E44-W210 HydrophobicContact CG-CZ2 3.85Å; N45-W210 VanDerWaalsContact O-CH2 3.25Å; N45-W210 WeakPolarHBondContact O-CH2 3.31Å; Y48-W210 VanDerWaalsContact C-CH2 3.5Å; R49-W210 HydrophobicContact CB-CH2 4.1Å; R49-W210 HydrophobicContact CB-CZ2 3.68Å; I60-W210 HydrophobicContact CB-CD2 4.26Å; I60-W210 HydrophobicContact CB-CE3 4.13Å; I60-W210 HydrophobicContact CD1-CB 4.04Å; I60-W210 HydrophobicContact CD1-CD2 4.13Å; I60-W210 HydrophobicContact CD1-CG 3.72Å; I60-W210 HydrophobicContact CG2-CB 3.94Å; I60-W210 HydrophobicContact CG2-CD2 3.69Å; I60-W210 HydrophobicContact CG2-CE3 3.36Å; I60-W210 HydrophobicContact CG2-CG 3.93Å; I60-W210 HydrophobicContact CG2-CZ3 4.11Å; L62-W210 HydrophobicContact CD1-CE3 4.48Å; L62-W210 HydrophobicContact CD1-CZ3 4.19Å; L62-W210 HydrophobicContact CD2-CE3 3.68Å; L62-W210 HydrophobicContact CD2-CZ3 4.05Å; L62-W210 HydrophobicContact CG-CE3 3.98Å; L62-W210 HydrophobicContact CG-CZ3 3.8Å; V206-W210 HydrophobicContact CG1-CB 4.17Å; P207-W210 WeakPolarHBondContact O-CB 3.23Å; P207-W210 PolarHBondContact O-N 2.93Å; A208-W210 PolarHBondContact O-N 2.89Å; W210-K212 PolarHBondContact O-N 2.88Å; W210-T215 VanDerWaalsContact O-CB 3.23Å; W210-T215 WeakPolarHBondContact O-CB 3.45Å; W210-T215 WeakPolarHBondContact O-CG2 3.45Å; W210-T215 PolarHBondContact O-OG1 3.11Å |
| 211 | I | 95.5 | Very high | 95.8 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | trans | -79.8 | 87.9 | -177.9 | -57.6 | -179.6 | 0 | 0 | 0 | 108.9 | F173 W185 V206 A208 | F173-I211 HydrophobicContact CD1-CG2 3.95Å; F173-I211 HydrophobicContact CE1-CB 4.4Å; F173-I211 HydrophobicContact CE1-CG1 4.33Å; F173-I211 HydrophobicContact CE1-CG2 3.63Å; F173-I211 HydrophobicContact CZ-CB 4.39Å; F173-I211 HydrophobicContact CZ-CG1 3.94Å; F173-I211 HydrophobicContact CZ-CG2 4.1Å; W185-I211 HydrophobicContact CB-CD1 4.47Å; W185-I211 HydrophobicContact CB-CG2 4.22Å; W185-I211 HydrophobicContact CD2-CG2 4.1Å; W185-I211 HydrophobicContact CG-CD1 4.35Å; W185-I211 HydrophobicContact CG-CG2 3.72Å; V206-I211 HydrophobicContact CB-CD1 4.37Å; V206-I211 HydrophobicContact CB-CG1 4.29Å; V206-I211 HydrophobicContact CG1-CD1 4.42Å; V206-I211 HydrophobicContact CG1-CG1 3.8Å; A208-I211 PolarHBondContact O-N 3.27Å | ||
| 212 | K | 95.5 | Very high | 95.7 | Very high | 91 Ų | 91 | 32 Ų | 32 | 40% | 0.396 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -152.9 | 164.8 | 178.7 | 60.2 | -172.8 | 174.2 | -173.6 | 0 | 110.9 | L62 F173 W210 G214 T215 | L62-K212 HydrophobicContact CD2-CD 4.44Å; L62-K212 HydrophobicContact CD2-CG 4.28Å; F173-K212 VanDerWaalsContact CB-O 3.24Å; F173-K212 WeakPolarHBondContact CB-O 3.47Å; W210-K212 PolarHBondContact O-N 2.88Å; K212-G214 PolarHBondContact O-N 2.87Å; K212-T215 WeakPolarHBondContact CG-OG1 3.18Å; K212-T215 WeakPolarHBondContact O-CB 3.21Å; K212-T215 PolarHBondContact O-N 2.99Å; K212-T215 PolarHBondContact O-OG1 3.25Å; K212-T215 VanDerWaalsContact O-OG1 3.1Å |
| 213 | S | 96.3 | Very high | 95.3 | Very high | 49 Ų | 49 | 32.7 Ų | 32.7 | 34% | 0.343 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 134.8 | 179.5 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | F173 I176 T215 | F173-S213 CarbonylContact O-C 3.35Å; F173-S213 WeakPolarHBondContact O-CA 3.33Å; I176-S213 PolarHBondContact N-OG 2.92Å; I176-S213 PolarHBondContact O-OG 2.82Å; I176-S213 VanDerWaalsContact O-OG 3.13Å; S213-T215 VanDerWaalsContact C-N 3.29Å; S213-T215 PolarHBondContact O-N 3.15Å |
| 214 | G | 96.2 | Very high | 94.8 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 8.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L62 N63 Q64 F173 K212 | L62-G214 CarbonylContact C-O 3.58Å; N63-G214 PolarHBondContact N-O 3.3Å; N63-G214 VanDerWaalsContact N-O 3.08Å; Q64-G214 PolarHBondContact N-O 2.92Å; F173-G214 PolarHBondContact O-N 2.81Å; K212-G214 PolarHBondContact O-N 2.87Å |
| 215 | T | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 132.3 | 171.4 | -60.9 | 0 | 0 | 0 | 0 | 111 | I60 R61 L62 Y172 F173 W210 K212 S213 V217 | I60-T215 HydrophobicContact CG2-CG2 3.59Å; R61-T215 WeakPolarHBondContact O-CA 3.42Å; L62-T215 HydrophobicContact CD2-CG2 4.12Å; L62-T215 WeakPolarHBondContact CD2-OG1 2.9Å; Y172-T215 WeakPolarHBondContact CD2-O 3.49Å; F173-T215 HydrophobicContact CD2-CG2 3.92Å; F173-T215 HydrophobicContact CE2-CG2 4.3Å; F173-T215 PolarHBondContact N-O 3.1Å; W210-T215 VanDerWaalsContact O-CB 3.23Å; W210-T215 WeakPolarHBondContact O-CB 3.45Å; W210-T215 WeakPolarHBondContact O-CG2 3.45Å; W210-T215 PolarHBondContact O-OG1 3.11Å; K212-T215 WeakPolarHBondContact CG-OG1 3.18Å; K212-T215 WeakPolarHBondContact O-CB 3.21Å; K212-T215 PolarHBondContact O-N 2.99Å; K212-T215 PolarHBondContact O-OG1 3.25Å; K212-T215 VanDerWaalsContact O-OG1 3.1Å; S213-T215 VanDerWaalsContact C-N 3.29Å; S213-T215 PolarHBondContact O-N 3.15Å; T215-V217 HydrophobicContact CG2-CG2 4.06Å |
| 216 | L | 97.7 | Very high | 94 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 6% | 0.058 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.8 | 168.2 | -171.8 | 71.9 | 0 | 0 | 0 | 109.5 | I60 R61 Q64 L67 T170 Y172 E218 | I60-L216 CarbonylContact C-O 3.57Å; I60-L216 WeakPolarHBondContact CA-O 3.45Å; R61-L216 PolarHBondContact N-O 3.25Å; R61-L216 PolarHBondContact O-N 3.28Å; Q64-L216 HydrophobicContact CB-CB 3.91Å; Q64-L216 HydrophobicContact CG-CB 3.6Å; Q64-L216 HydrophobicContact CG-CD2 4.18Å; L67-L216 HydrophobicContact CD1-CD1 4.4Å; T170-L216 HydrophobicContact CG2-CD1 3.37Å; T170-L216 HydrophobicContact CG2-CG 4.14Å; Y172-L216 HydrophobicContact CD2-CB 4.34Å; Y172-L216 HydrophobicContact CD2-CD1 3.9Å; Y172-L216 HydrophobicContact CG-CD1 4.37Å; L216-E218 HydrophobicContact CD2-CG 4.27Å; L216-E218 HydrophobicContact CG-CG 4.21Å |
| 217 | V | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.1 | 172.3 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | M58 R59 I60 T170 L171 F173 V206 T215 Y219 | M58-V217 HydrophobicContact CG-CG1 3.93Å; M58-V217 HydrophobicContact SD-CG1 4.24Å; R59-V217 CarbonylContact O-C 3.57Å; R59-V217 WeakPolarHBondContact O-CA 3.49Å; I60-V217 HydrophobicContact CD1-CG2 4.46Å; I60-V217 HydrophobicContact CG1-CG1 4.29Å; I60-V217 HydrophobicContact CG1-CG2 4.15Å; I60-V217 HydrophobicContact CG2-CG2 4.13Å; T170-V217 CarbonylContact C-O 3.57Å; T170-V217 VanDerWaalsContact CA-O 3.27Å; T170-V217 WeakPolarHBondContact CA-O 3.49Å; L171-V217 HydrophobicContact CB-CB 4.22Å; L171-V217 PolarHBondContact N-O 3.35Å; L171-V217 PolarHBondContact O-N 3.4Å; F173-V217 HydrophobicContact CE2-CG2 3.86Å; V206-V217 HydrophobicContact CG1-CG2 3.84Å; V206-V217 HydrophobicContact CG2-CB 4.41Å; V206-V217 HydrophobicContact CG2-CG1 4.05Å; V206-V217 HydrophobicContact CG2-CG2 3.98Å; T215-V217 HydrophobicContact CG2-CG2 4.06Å; V217-Y219 HydrophobicContact CG1-CD2 4.17Å; V217-Y219 HydrophobicContact CG1-CE2 3.61Å |
| 218 | E | 97.1 | Very high | 93 | Very high | 14 Ų | 14 | 37.2 Ų | 37.2 | 7% | 0.065 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 118.2 | 178.4 | -63.4 | 170.1 | 111 | 0 | 0 | 109.3 | M58 R59 R61 K168 T170 L216 | M58-E218 WeakPolarHBondContact CA-O 3.15Å; R59-E218 HydrophobicContact CB-CB 4.38Å; R59-E218 PolarHBondContact N-O 3.46Å; R59-E218 IonicContact NH1-OE2 3.42Å; R59-E218 PolarHBondContact O-N 3.15Å; R61-E218 IonicContact CZ-OE2 2.7Å; R61-E218 IonicContact NE-OE2 3.82Å; R61-E218 PolarHBondContact NE-OE2 3.46Å; R61-E218 IonicContact NH2-OE1 2.75Å; R61-E218 PolarHBondContact NH2-OE1 2.94Å; R61-E218 IonicContact NH2-OE2 3.98Å; R61-E218 PolarHBondContact NH2-OE2 2.9Å; K168-E218 WeakPolarHBondContact CE-OE1 3.24Å; K168-E218 IonicContact NZ-OE1 3.35Å; K168-E218 PolarHBondContact NZ-OE1 3.36Å; T170-E218 HydrophobicContact CG2-CG 4.07Å; L216-E218 HydrophobicContact CD2-CG 4.27Å; L216-E218 HydrophobicContact CG-CG 4.21Å |
| 219 | Y | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 114.5 | 167.4 | -58.3 | -88.3 | 0 | 0 | 0 | 108.4 | S57 M58 K168 I169 L171 I189 I204 V206 V217 | S57-Y219 CarbonylContact O-C 3.53Å; S57-Y219 VanDerWaalsContact O-CA 3.29Å; S57-Y219 WeakPolarHBondContact O-CA 3.49Å; M58-Y219 HydrophobicContact CB-CD1 4.26Å; M58-Y219 HydrophobicContact CB-CE1 4.31Å; M58-Y219 HydrophobicContact CG-CD1 4.24Å; M58-Y219 HydrophobicContact CG-CE1 3.96Å; M58-Y219 HydrophobicContact SD-CE1 3.89Å; K168-Y219 WeakPolarHBondContact CA-O 3.16Å; K168-Y219 WeakPolarHBondContact CG-O 3.15Å; I169-Y219 HydrophobicContact CB-CD2 4.31Å; I169-Y219 HydrophobicContact CG2-CD2 4.24Å; I169-Y219 PolarHBondContact N-O 2.9Å; I169-Y219 PolarHBondContact O-N 2.61Å; L171-Y219 HydrophobicContact CD1-CE2 3.83Å; L171-Y219 HydrophobicContact CG-CE2 4.17Å; I189-Y219 HydrophobicContact CD1-CD1 3.65Å; I189-Y219 HydrophobicContact CD1-CE1 4.06Å; I189-Y219 HydrophobicContact CD1-CG 3.95Å; I189-Y219 HydrophobicContact CG1-CD1 4.12Å; I189-Y219 HydrophobicContact CG1-CE1 4Å; I189-Y219 HydrophobicContact CG2-CD2 4.15Å; I189-Y219 HydrophobicContact CG2-CE2 4.07Å; I189-Y219 HydrophobicContact CG2-CG 4.48Å; I204-Y219 HydrophobicContact CB-CE1 4.05Å; I204-Y219 HydrophobicContact CG2-CD1 4.26Å; I204-Y219 HydrophobicContact CG2-CE1 3.61Å; I204-Y219 PolarHBondContact O-OH 2.98Å; V206-Y219 VanDerWaalsContact CG2-OH 3.23Å; V206-Y219 WeakPolarHBondContact CG2-OH 3.12Å; V217-Y219 HydrophobicContact CG1-CD2 4.17Å; V217-Y219 HydrophobicContact CG1-CE2 3.61Å |
| 220 | E | 94.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 2% | 0.023 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.9 | -178.2 | -141.4 | -172.1 | 134.4 | 0 | 0 | 109.9 | Y56 S57 R59 K168 I222 T262 K266 | Y56-E220 CarbonylContact C-O 3.6Å; Y56-E220 WeakPolarHBondContact CA-O 3.35Å; S57-E220 PolarHBondContact N-O 3.28Å; S57-E220 PolarHBondContact O-N 3.02Å; S57-E220 WeakPolarHBondContact OG-CB 3.3Å; S57-E220 PolarHBondContact OG-O 3.05Å; R59-E220 IonicContact NH1-OE2 3.69Å; K168-E220 HydrophobicContact CD-CG 4.22Å; K168-E220 HydrophobicContact CG-CG 4.37Å; E220-I222 PolarHBondContact O-N 3.07Å; E220-T262 WeakPolarHBondContact OE1-CB 3.47Å; E220-T262 PolarHBondContact OE1-OG1 2.99Å; E220-K266 VanDerWaalsContact OE1-CE 3.23Å; E220-K266 WeakPolarHBondContact OE1-CE 3.48Å; E220-K266 IonicContact OE1-NZ 2.67Å; E220-K266 PolarHBondContact OE1-NZ 3.49Å; E220-K266 VanDerWaalsContact OE2-CE 3.26Å; E220-K266 WeakPolarHBondContact OE2-CE 3.46Å; E220-K266 IonicContact OE2-NZ 3.34Å |
| 221 | V | 93.1 | Very high | 92.6 | Very high | 50 Ų | 50 | 39 Ų | 39 | 30% | 0.303 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 133.8 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | H55 Y56 | H55-V221 CarbonylContact O-C 3.6Å; H55-V221 WeakPolarHBondContact O-CA 3.23Å; Y56-V221 HydrophobicContact CD1-CG2 4.34Å; Y56-V221 HydrophobicContact CE1-CG2 3.62Å |
| 222 | I | 90.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | trans | -112.2 | 121.8 | 170.5 | -49.9 | 172.5 | 0 | 0 | 0 | 107.1 | L52 H55 Y56 S57 E220 W227 I255 E256 | L52-I222 HydrophobicContact CD2-CD1 3.71Å; H55-I222 PolarHBondContact O-N 2.9Å; Y56-I222 VanDerWaalsContact C-CD1 3.48Å; S57-I222 VanDerWaalsContact N-CD1 3.35Å; E220-I222 PolarHBondContact O-N 3.07Å; I222-W227 HydrophobicContact CB-CZ2 4.42Å; I222-W227 HydrophobicContact CG2-CZ2 4.43Å; I222-I255 HydrophobicContact CD1-CG2 4.45Å; I222-I255 HydrophobicContact CG2-CB 3.85Å; I222-I255 HydrophobicContact CG2-CG2 4.25Å; I222-E256 HydrophobicContact CG2-CB 4.39Å | ||
| 223 | G | 85.5 | Confident | 92.4 | Very high | 23 Ų | 23 | 41.4 Ų | 41.4 | 24% | 0.237 | 23% | 0.227 | C | C | . | . | trans | -71.4 | 161.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E256 | G223-E256 VanDerWaalsContact CA-OE1 3.27Å; G223-E256 WeakPolarHBondContact CA-OE1 3.38Å | ||
| 224 | K | 83.8 | Confident | 92.4 | Very high | 47 Ų | 47 | 41 Ų | 41 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -88.8 | -20.4 | -170.9 | -65 | 179.5 | 170.9 | 171.8 | 0 | 115.3 | E28 Y54 H55 D92 C226 W227 E256 | E28-K224 IonicContact OE2-NZ 3.87Å; Y54-K224 PolarHBondContact OH-NZ 3.38Å; H55-K224 WeakPolarHBondContact CE1-CE 3.39Å; H55-K224 PolarHBondContact CE1-NZ 2.02Å; H55-K224 WeakPolarHBondContact NE2-CE 3.45Å; H55-K224 PolarHBondContact NE2-NZ 3.26Å; D92-K224 IonicContact OD2-NZ 3.8Å; D92-K224 PolarHBondContact OD2-NZ 3.26Å; K224-C226 VanDerWaalsContact C-N 3.31Å; K224-C226 PolarHBondContact O-N 3.42Å; K224-W227 HydrophobicContact CB-CE3 4.46Å; K224-W227 HydrophobicContact CG-CE3 4.21Å; K224-W227 HydrophobicContact CG-CZ3 4.27Å; K224-W227 WeakPolarHBondContact O-CB 3.43Å; K224-W227 PolarHBondContact O-N 2.82Å; K224-W227 VanDerWaalsContact O-N 3.13Å; K224-E256 PolarHBondContact N-OE1 2.84Å |
| 225 | N | 86.3 | Confident | 92.3 | Very high | 99 Ų | 99 | 40.5 Ų | 40.5 | 53% | 0.529 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -38.3 | -169.7 | -55.9 | -50.6 | 0 | 0 | 0 | 111.5 | F229 M243 E256 | N225-F229 WeakPolarHBondContact O-CE2 3.36Å; N225-M243 HydrophobicContact CB-CE 4.43Å; N225-M243 HydrophobicContact CB-SD 3.31Å; N225-M243 WeakPolarHBondContact CB-SD 3.43Å; N225-E256 WeakPolarHBondContact CA-OE1 3.25Å; N225-E256 WeakPolarHBondContact CB-OE1 3.28Å; N225-E256 VanDerWaalsContact CG-OE1 3.31Å; N225-E256 PolarHBondContact N-OE1 3.46Å; N225-E256 PolarHBondContact ND2-OE1 3.34Å |
| 226 | C | 91.5 | Very high | 92 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -74.2 | -25.6 | 177.3 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | K224 N228 F229 C245 C254 E256 | K224-C226 VanDerWaalsContact C-N 3.31Å; K224-C226 PolarHBondContact O-N 3.42Å; C226-N228 PolarHBondContact O-N 3.02Å; C226-F229 VanDerWaalsContact O-CD2 3.28Å; C226-F229 WeakPolarHBondContact O-CD2 3.46Å; C226-F229 PolarHBondContact O-N 2.75Å; C226-C245 HydrophobicContact CB-CB 3.92Å; C226-C245 WeakPolarHBondContact CB-SG 3.39Å; C226-C245 WeakPolarHBondContact SG-CA 3.32Å; C226-C245 WeakPolarHBondContact SG-CB 3.36Å; C226-C245 CovalentContact SG-SG 2.02Å; C226-C245 PolarHBondContact SG-SG 2.81Å; C226-C254 CarbonylContact C-O 3.6Å; C226-C254 HydrophobicContact CB-CB 4.5Å; C226-C254 WeakPolarHBondContact O-CB 3.42Å; C226-C254 PolarHBondContact O-SG 2.85Å; C226-C254 VanDerWaalsContact O-SG 3.4Å; C226-E256 HydrophobicContact CB-CG 3.69Å; C226-E256 WeakPolarHBondContact SG-CG 3.36Å |
| 227 | W | 85.9 | Confident | 91.8 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 12% | 0.121 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -61.9 | -21.9 | -174.2 | -74.4 | -4.8 | 0 | 0 | 0 | 114.5 | Y54 I222 K224 F229 C254 | Y54-W227 AromaticContact CD2-CH2 3.77Å; Y54-W227 HydrophobicContact CD2-CH2 3.77Å; Y54-W227 AromaticContact CD2-CZ3 3.84Å; Y54-W227 HydrophobicContact CD2-CZ3 3.84Å; Y54-W227 HydrophobicContact CE2-CH2 4.12Å; Y54-W227 AromaticContact CE2-CZ3 3.77Å; Y54-W227 HydrophobicContact CE2-CZ3 3.77Å; I222-W227 HydrophobicContact CB-CZ2 4.42Å; I222-W227 HydrophobicContact CG2-CZ2 4.43Å; K224-W227 HydrophobicContact CB-CE3 4.46Å; K224-W227 HydrophobicContact CG-CE3 4.21Å; K224-W227 HydrophobicContact CG-CZ3 4.27Å; K224-W227 WeakPolarHBondContact O-CB 3.43Å; K224-W227 PolarHBondContact O-N 2.82Å; K224-W227 VanDerWaalsContact O-N 3.13Å; W227-F229 VanDerWaalsContact C-N 3.28Å; W227-F229 PolarHBondContact O-N 2.68Å; W227-C254 WeakPolarHBondContact CA-O 3.45Å; W227-C254 VanDerWaalsContact CD1-O 3.26Å; W227-C254 PolarHBondContact N-O 2.78Å |
| 228 | N | 85.9 | Confident | 91.5 | Very high | 119 Ų | 119 | 49.5 Ų | 49.5 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -74.9 | -15.2 | 179.1 | -67.1 | -37.8 | 0 | 0 | 0 | 113.4 | C226 N230 | C226-N228 PolarHBondContact O-N 3.02Å; N228-N230 PolarHBondContact O-N 3.45Å |
| 229 | F | 91.7 | Very high | 91.1 | Very high | 65 Ų | 65 | 52 Ų | 52 | 29% | 0.285 | 30% | 0.3 | S | S | . | . | trans | -85.7 | 111.7 | 178.5 | -56.3 | -67.4 | 0 | 0 | 0 | 110.6 | N225 C226 W227 A234 C235 A238 C254 | N225-F229 WeakPolarHBondContact O-CE2 3.36Å; C226-F229 VanDerWaalsContact O-CD2 3.28Å; C226-F229 WeakPolarHBondContact O-CD2 3.46Å; C226-F229 PolarHBondContact O-N 2.75Å; W227-F229 VanDerWaalsContact C-N 3.28Å; W227-F229 PolarHBondContact O-N 2.68Å; F229-A234 HydrophobicContact CB-CB 4.13Å; F229-A234 HydrophobicContact CD1-CB 3.97Å; F229-A234 HydrophobicContact CG-CB 4.41Å; F229-C235 HydrophobicContact CB-CB 4.21Å; F229-A238 HydrophobicContact CD1-CB 4.3Å; F229-A238 HydrophobicContact CD2-CB 3.52Å; F229-A238 HydrophobicContact CE1-CB 3.91Å; F229-A238 HydrophobicContact CE2-CB 3.09Å; F229-A238 HydrophobicContact CG-CB 4.13Å; F229-A238 HydrophobicContact CZ-CB 3.31Å; F229-C254 HydrophobicContact CB-CB 4.11Å; F229-C254 WeakPolarHBondContact O-CB 3.43Å | ||
| 230 | N | 90.6 | Very high | 90.6 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | trans | -94.5 | 4 | -174.6 | -64 | -36.2 | 0 | 0 | 0 | 114.1 | N228 W247 | N228-N230 PolarHBondContact O-N 3.45Å; N230-W247 WeakPolarHBondContact O-CH2 3.29Å | ||
| 231 | T | 93.4 | Very high | 90.1 | Very high | 67 Ų | 67 | 61.3 Ų | 61.3 | 41% | 0.411 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -131.7 | 156.3 | 175.3 | 81.3 | 0 | 0 | 0 | 0 | 111 | E233 A234 C235 | T231-E233 VanDerWaalsContact C-N 3.28Å; T231-E233 VanDerWaalsContact CB-OE2 3.31Å; T231-E233 WeakPolarHBondContact CB-OE2 3.2Å; T231-E233 PolarHBondContact O-N 3.21Å; T231-E233 PolarHBondContact OG1-OE2 3.34Å; T231-E233 VanDerWaalsContact OG1-OE2 3.07Å; T231-A234 PolarHBondContact O-N 2.7Å; T231-A234 WeakPolarHBondContact OG1-CB 3.43Å; T231-A234 PolarHBondContact OG1-N 3.02Å; T231-C235 VanDerWaalsContact O-CB 3.25Å; T231-C235 WeakPolarHBondContact O-CB 3.24Å; T231-C235 PolarHBondContact O-N 3.29Å |
| 232 | S | 93.6 | Very high | 89.6 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 21% | 0.21 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.5 | -38.3 | -178.8 | 86.2 | 0 | 0 | 0 | 0 | 112 | C235 Q236 W247 | S232-C235 WeakPolarHBondContact O-CB 3.32Å; S232-C235 PolarHBondContact O-N 3.07Å; S232-Q236 WeakPolarHBondContact O-CB 3.5Å; S232-Q236 VanDerWaalsContact O-CG 3.29Å; S232-Q236 WeakPolarHBondContact O-CG 3.27Å; S232-Q236 PolarHBondContact O-N 2.82Å; S232-W247 VanDerWaalsContact CB-CD1 3.46Å |
| 233 | E | 94.5 | Very high | 89.6 | Confident | 130 Ų | 130 | 67.4 Ų | 67.4 | 61% | 0.607 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70.6 | -44.3 | -177.9 | -54.7 | 71.5 | -151.9 | 0 | 0 | 110.5 | T231 C235 G237 | T231-E233 VanDerWaalsContact C-N 3.28Å; T231-E233 VanDerWaalsContact CB-OE2 3.31Å; T231-E233 WeakPolarHBondContact CB-OE2 3.2Å; T231-E233 PolarHBondContact O-N 3.21Å; T231-E233 PolarHBondContact OG1-OE2 3.34Å; T231-E233 VanDerWaalsContact OG1-OE2 3.07Å; E233-C235 VanDerWaalsContact C-N 3.33Å; E233-G237 PolarHBondContact O-N 2.87Å |
| 234 | A | 95.3 | Very high | 89.8 | Confident | 41 Ų | 41 | 70.9 Ų | 70.9 | 34% | 0.339 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | F229 T231 G237 A238 | F229-A234 HydrophobicContact CB-CB 4.13Å; F229-A234 HydrophobicContact CD1-CB 3.97Å; F229-A234 HydrophobicContact CG-CB 4.41Å; T231-A234 PolarHBondContact O-N 2.7Å; T231-A234 WeakPolarHBondContact OG1-CB 3.43Å; T231-A234 PolarHBondContact OG1-N 3.02Å; A234-G237 PolarHBondContact O-N 2.84Å; A234-A238 WeakPolarHBondContact O-CB 3.39Å; A234-A238 PolarHBondContact O-N 2.94Å |
| 235 | C | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.2 | -52.4 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | F229 T231 S232 E233 G237 A238 C245 W247 C254 | F229-C235 HydrophobicContact CB-CB 4.21Å; T231-C235 VanDerWaalsContact O-CB 3.25Å; T231-C235 WeakPolarHBondContact O-CB 3.24Å; T231-C235 PolarHBondContact O-N 3.29Å; S232-C235 WeakPolarHBondContact O-CB 3.32Å; S232-C235 PolarHBondContact O-N 3.07Å; E233-C235 VanDerWaalsContact C-N 3.33Å; C235-G237 VanDerWaalsContact C-N 3.34Å; C235-G237 PolarHBondContact O-N 2.82Å; C235-A238 PolarHBondContact O-N 2.79Å; C235-C245 WeakPolarHBondContact O-CB 3.36Å; C235-W247 HydrophobicContact CB-CB 4.24Å; C235-W247 HydrophobicContact CB-CE3 3.77Å; C235-W247 PolarHBondContact SG-N 2.92Å; C235-C254 WeakPolarHBondContact CA-SG 3.03Å; C235-C254 HydrophobicContact CB-CB 3.54Å; C235-C254 WeakPolarHBondContact CB-SG 3.49Å; C235-C254 VanDerWaalsContact SG-CA 3.53Å; C235-C254 WeakPolarHBondContact SG-CB 2.84Å; C235-C254 CovalentContact SG-SG 2.01Å; C235-C254 PolarHBondContact SG-SG 3.41Å |
| 236 | Q | 91.3 | Very high | 90.6 | Very high | 121 Ų | 121 | 64.7 Ų | 64.7 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 179 | -71.8 | 174.7 | -3.3 | 0 | 0 | 111.3 | S232 A238 T239 | S232-Q236 WeakPolarHBondContact O-CB 3.5Å; S232-Q236 VanDerWaalsContact O-CG 3.29Å; S232-Q236 WeakPolarHBondContact O-CG 3.27Å; S232-Q236 PolarHBondContact O-N 2.82Å; Q236-A238 PolarHBondContact O-N 2.8Å; Q236-T239 PolarHBondContact O-N 2.91Å; Q236-T239 PolarHBondContact O-OG1 3.01Å |
| 237 | G | 92.9 | Very high | 90.7 | Very high | 67 Ų | 67 | 65.9 Ų | 65.9 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.8 | -18 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E233 A234 C235 T239 | E233-G237 PolarHBondContact O-N 2.87Å; A234-G237 PolarHBondContact O-N 2.84Å; C235-G237 VanDerWaalsContact C-N 3.34Å; C235-G237 PolarHBondContact O-N 2.82Å; G237-T239 VanDerWaalsContact C-N 3.28Å; G237-T239 PolarHBondContact O-N 2.82Å |
| 238 | A | 92.2 | Very high | 91 | Very high | 13 Ų | 13 | 64.4 Ų | 64.4 | 11% | 0.107 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F229 A234 C235 Q236 T240 M243 | F229-A238 HydrophobicContact CD1-CB 4.3Å; F229-A238 HydrophobicContact CD2-CB 3.52Å; F229-A238 HydrophobicContact CE1-CB 3.91Å; F229-A238 HydrophobicContact CE2-CB 3.09Å; F229-A238 HydrophobicContact CG-CB 4.13Å; F229-A238 HydrophobicContact CZ-CB 3.31Å; A234-A238 WeakPolarHBondContact O-CB 3.39Å; A234-A238 PolarHBondContact O-N 2.94Å; C235-A238 PolarHBondContact O-N 2.79Å; Q236-A238 PolarHBondContact O-N 2.8Å; A238-T240 PolarHBondContact O-N 2.9Å; A238-M243 HydrophobicContact CB-CE 4.37Å; A238-M243 WeakPolarHBondContact O-CE 3.48Å |
| 239 | T | 88.2 | Confident | 91.3 | Very high | 66 Ų | 66 | 61.4 Ų | 61.4 | 41% | 0.405 | 35% | 0.352 | S | S | . | . | trans | -64.8 | 126 | -179.9 | -66.6 | 0 | 0 | 0 | 0 | 111 | Q236 G237 M243 R244 C245 | Q236-T239 PolarHBondContact O-N 2.91Å; Q236-T239 PolarHBondContact O-OG1 3.01Å; G237-T239 VanDerWaalsContact C-N 3.28Å; G237-T239 PolarHBondContact O-N 2.82Å; T239-M243 CarbonylContact C-O 3.53Å; T239-M243 WeakPolarHBondContact CA-O 3.5Å; T239-R244 HydrophobicContact CG2-CB 4.34Å; T239-R244 HydrophobicContact CG2-CG 4.02Å; T239-C245 PolarHBondContact OG1-N 3.09Å | ||
| 240 | T | 87.4 | Confident | 91.3 | Very high | 66 Ų | 66 | 64.6 Ų | 64.6 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -121.4 | 169.4 | 175.6 | 71.8 | 0 | 0 | 0 | 0 | 110.1 | A238 N242 M243 | A238-T240 PolarHBondContact O-N 2.9Å; T240-N242 PolarHBondContact O-N 2.75Å; T240-N242 PolarHBondContact OG1-N 2.91Å; T240-M243 PolarHBondContact N-O 2.82Å; T240-M243 CarbonylContact O-C 3.51Å; T240-M243 PolarHBondContact O-N 3.24Å; T240-M243 VanDerWaalsContact O-N 3.17Å; T240-M243 PolarHBondContact OG1-N 2.88Å |
| 241 | P | 84.4 | Confident | 91.3 | Very high | 134 Ų | 134 | 60.3 Ų | 60.3 | 87% | 0.87 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -25.8 | 175.4 | -28.3 | 36.8 | 0 | 0 | 0 | 114.7 | ||
| 242 | N | 83 | Confident | 91.1 | Very high | 151 Ų | 151 | 62.2 Ų | 62.2 | 81% | 0.807 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -4 | -177 | -63.1 | -22.9 | 0 | 0 | 0 | 113.6 | T240 | T240-N242 PolarHBondContact O-N 2.75Å; T240-N242 PolarHBondContact OG1-N 2.91Å |
| 243 | M | 88.7 | Confident | 91 | Very high | 29 Ų | 29 | 64 Ų | 64 | 14% | 0.143 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -149.4 | 118.5 | -175.9 | -178.7 | -175.7 | 76.3 | 0 | 0 | 110.1 | N225 A238 T239 T240 E256 N258 | N225-M243 HydrophobicContact CB-CE 4.43Å; N225-M243 HydrophobicContact CB-SD 3.31Å; N225-M243 WeakPolarHBondContact CB-SD 3.43Å; A238-M243 HydrophobicContact CB-CE 4.37Å; A238-M243 WeakPolarHBondContact O-CE 3.48Å; T239-M243 CarbonylContact C-O 3.53Å; T239-M243 WeakPolarHBondContact CA-O 3.5Å; T240-M243 PolarHBondContact N-O 2.82Å; T240-M243 CarbonylContact O-C 3.51Å; T240-M243 PolarHBondContact O-N 3.24Å; T240-M243 VanDerWaalsContact O-N 3.17Å; T240-M243 PolarHBondContact OG1-N 2.88Å; M243-E256 HydrophobicContact CG-CG 4.21Å; M243-E256 HydrophobicContact SD-CG 4.48Å; M243-N258 VanDerWaalsContact CA-OD1 3.26Å; M243-N258 WeakPolarHBondContact CA-OD1 3.39Å |
| 244 | R | 91.3 | Very high | 90.9 | Very high | 95 Ų | 95 | 57.8 Ų | 57.8 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | trans | -106.2 | 133.1 | 173.3 | -63.8 | -176.6 | -174.2 | 146.8 | 8.1 | 109.7 | T239 E256 S257 N258 N260 | T239-R244 HydrophobicContact CG2-CB 4.34Å; T239-R244 HydrophobicContact CG2-CG 4.02Å; R244-E256 CarbonylContact O-C 3.49Å; R244-E256 WeakPolarHBondContact O-CA 3.36Å; R244-S257 PolarHBondContact O-N 3.17Å; R244-N258 PolarHBondContact N-OD1 3.08Å; R244-N260 PolarHBondContact NH1-OD1 2.64Å; R244-N260 PolarHBondContact NH2-OD1 2.77Å | ||
| 245 | C | 93.2 | Very high | 90.8 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 141 | 176.3 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | C226 C235 T239 C254 I255 | C226-C245 HydrophobicContact CB-CB 3.92Å; C226-C245 WeakPolarHBondContact CB-SG 3.39Å; C226-C245 WeakPolarHBondContact SG-CA 3.32Å; C226-C245 WeakPolarHBondContact SG-CB 3.36Å; C226-C245 CovalentContact SG-SG 2.02Å; C226-C245 PolarHBondContact SG-SG 2.81Å; C235-C245 WeakPolarHBondContact O-CB 3.36Å; T239-C245 PolarHBondContact OG1-N 3.09Å; C245-C254 VanDerWaalsContact CB-SG 3.59Å; C245-I255 CarbonylContact C-O 3.56Å; C245-I255 WeakPolarHBondContact CA-O 3.23Å |
| 246 | I | 92.8 | Very high | 90.7 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.1 | 174.5 | -59.7 | 174.1 | 0 | 0 | 0 | 108.2 | C254 I255 S257 K266 V267 C270 | I246-C254 CarbonylContact O-C 3.4Å; I246-C254 WeakPolarHBondContact O-CA 3.31Å; I246-I255 HydrophobicContact CB-CG1 4.03Å; I246-I255 PolarHBondContact N-O 2.94Å; I246-I255 PolarHBondContact O-N 2.67Å; I246-S257 VanDerWaalsContact CD1-OG 3.24Å; I246-S257 WeakPolarHBondContact CD1-OG 3.2Å; I246-K266 HydrophobicContact CD1-CB 3.69Å; I246-V267 HydrophobicContact CD1-CB 4.32Å; I246-V267 HydrophobicContact CD1-CG2 3.44Å; I246-V267 VanDerWaalsContact CD1-CG2 3.44Å; I246-V267 HydrophobicContact CG1-CG2 3.91Å; I246-V267 HydrophobicContact CG2-CG2 4.46Å; I246-C270 HydrophobicContact CG2-CB 3.86Å |
| 247 | W | 94 | Very high | 90.5 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 10% | 0.095 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 129.2 | 172.1 | -177.2 | -110 | 0 | 0 | 0 | 109.9 | N230 S232 C235 P249 N252 C254 H271 | N230-W247 WeakPolarHBondContact O-CH2 3.29Å; S232-W247 VanDerWaalsContact CB-CD1 3.46Å; C235-W247 HydrophobicContact CB-CB 4.24Å; C235-W247 HydrophobicContact CB-CE3 3.77Å; C235-W247 PolarHBondContact SG-N 2.92Å; W247-P249 WeakPolarHBondContact O-CD 3.5Å; W247-N252 HydrophobicContact CH2-CB 4.22Å; W247-N252 WeakPolarHBondContact CH2-O 3.43Å; W247-N252 HydrophobicContact CZ2-CB 4.11Å; W247-C254 HydrophobicContact CE3-CB 3.89Å; W247-C254 HydrophobicContact CZ3-CB 4.16Å; W247-H271 PolarHBondContact O-CE1 2.81Å; W247-H271 VanDerWaalsContact O-CE1 3.29Å; W247-H271 PolarHBondContact O-NE2 2.99Å |
| 248 | C | 93 | Very high | 90 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 93.5 | 178.1 | -50.6 | 0 | 0 | 0 | 0 | 108.4 | I42 K250 V251 N252 K253 C270 | I42-C248 HydrophobicContact CD1-CB 3.86Å; C248-K250 VanDerWaalsContact C-N 3.33Å; C248-K250 PolarHBondContact O-N 2.76Å; C248-V251 HydrophobicContact CB-CG2 3.77Å; C248-V251 WeakPolarHBondContact O-CG2 3.28Å; C248-V251 PolarHBondContact O-N 3.11Å; C248-N252 PolarHBondContact O-N 3.17Å; C248-N252 VanDerWaalsContact O-N 3.1Å; C248-K253 WeakPolarHBondContact CB-O 3.49Å; C248-K253 PolarHBondContact N-O 3.36Å; C248-K253 PolarHBondContact O-N 3.08Å; C248-C270 HydrophobicContact CB-CB 3.68Å; C248-C270 WeakPolarHBondContact CB-SG 3.13Å; C248-C270 WeakPolarHBondContact SG-CB 3.43Å; C248-C270 CovalentContact SG-SG 2.04Å; C248-C270 PolarHBondContact SG-SG 2.73Å |
| 249 | P | 92.1 | Very high | 89.6 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -61.1 | -38.3 | -166.9 | -22.2 | 31.7 | 0 | 0 | 0 | 113.6 | W247 V251 N252 C270 | W247-P249 WeakPolarHBondContact O-CD 3.5Å; P249-V251 PolarHBondContact O-N 2.87Å; P249-V251 VanDerWaalsContact O-N 3.11Å; P249-N252 PolarHBondContact O-N 2.89Å; P249-N252 VanDerWaalsContact O-N 3.15Å; P249-N252 PolarHBondContact O-OD1 2.8Å; P249-C270 WeakPolarHBondContact CD-O 3.36Å |
| 250 | K | 90.6 | Very high | 89.3 | Confident | 132 Ų | 132 | 54.1 Ų | 54.1 | 57% | 0.574 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -58.3 | -30.7 | -176.5 | -167.1 | -172.7 | -179.4 | -165.4 | 0 | 113.1 | I41 I42 C248 | I41-K250 PolarHBondContact O-NZ 2.82Å; I42-K250 WeakPolarHBondContact O-CD 3.15Å; I42-K250 WeakPolarHBondContact O-CE 3.14Å; I42-K250 PolarHBondContact O-NZ 3.45Å; C248-K250 VanDerWaalsContact C-N 3.33Å; C248-K250 PolarHBondContact O-N 2.76Å |
| 251 | V | 90.2 | Very high | 89.1 | Confident | 25 Ų | 25 | 58 Ų | 58 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -114.1 | 4.1 | -176.1 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | N40 I42 L52 C248 P249 K253 | N40-V251 HydrophobicContact CB-CB 4.33Å; N40-V251 HydrophobicContact CB-CG1 3.74Å; I42-V251 HydrophobicContact CD1-CG2 4.09Å; I42-V251 HydrophobicContact CG1-CG1 3.91Å; I42-V251 HydrophobicContact CG1-CG2 3.99Å; L52-V251 HydrophobicContact CD1-CG2 4.09Å; C248-V251 HydrophobicContact CB-CG2 3.77Å; C248-V251 WeakPolarHBondContact O-CG2 3.28Å; C248-V251 PolarHBondContact O-N 3.11Å; P249-V251 PolarHBondContact O-N 2.87Å; P249-V251 VanDerWaalsContact O-N 3.11Å; V251-K253 VanDerWaalsContact C-N 3.28Å; V251-K253 HydrophobicContact CG2-CB 4.05Å; V251-K253 VanDerWaalsContact O-CG 3.29Å; V251-K253 WeakPolarHBondContact O-CG 3.21Å; V251-K253 PolarHBondContact O-N 3.43Å |
| 252 | N | 90.7 | Very high | 89.1 | Confident | 108 Ų | 108 | 52.2 Ų | 52.2 | 58% | 0.578 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 45.6 | -177.3 | -65.5 | -52.2 | 0 | 0 | 0 | 113.7 | W247 C248 P249 | W247-N252 HydrophobicContact CH2-CB 4.22Å; W247-N252 WeakPolarHBondContact CH2-O 3.43Å; W247-N252 HydrophobicContact CZ2-CB 4.11Å; C248-N252 PolarHBondContact O-N 3.17Å; C248-N252 VanDerWaalsContact O-N 3.1Å; P249-N252 PolarHBondContact O-N 2.89Å; P249-N252 VanDerWaalsContact O-N 3.15Å; P249-N252 PolarHBondContact O-OD1 2.8Å |
| 253 | K | 91 | Very high | 89.2 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 144.1 | -175.3 | -74.2 | -82.1 | -179.5 | -172 | 0 | 112.2 | Y38 C248 V251 | Y38-K253 WeakPolarHBondContact OH-CG 3.39Å; C248-K253 WeakPolarHBondContact CB-O 3.49Å; C248-K253 PolarHBondContact N-O 3.36Å; C248-K253 PolarHBondContact O-N 3.08Å; V251-K253 VanDerWaalsContact C-N 3.28Å; V251-K253 HydrophobicContact CG2-CB 4.05Å; V251-K253 VanDerWaalsContact O-CG 3.29Å; V251-K253 WeakPolarHBondContact O-CG 3.21Å; V251-K253 PolarHBondContact O-N 3.43Å |
| 254 | C | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.5 | 176.9 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | C226 W227 F229 C235 C245 I246 W247 | C226-C254 CarbonylContact C-O 3.6Å; C226-C254 HydrophobicContact CB-CB 4.5Å; C226-C254 WeakPolarHBondContact O-CB 3.42Å; C226-C254 PolarHBondContact O-SG 2.85Å; C226-C254 VanDerWaalsContact O-SG 3.4Å; W227-C254 WeakPolarHBondContact CA-O 3.45Å; W227-C254 VanDerWaalsContact CD1-O 3.26Å; W227-C254 PolarHBondContact N-O 2.78Å; F229-C254 HydrophobicContact CB-CB 4.11Å; F229-C254 WeakPolarHBondContact O-CB 3.43Å; C235-C254 WeakPolarHBondContact CA-SG 3.03Å; C235-C254 HydrophobicContact CB-CB 3.54Å; C235-C254 WeakPolarHBondContact CB-SG 3.49Å; C235-C254 VanDerWaalsContact SG-CA 3.53Å; C235-C254 WeakPolarHBondContact SG-CB 2.84Å; C235-C254 CovalentContact SG-SG 2.01Å; C235-C254 PolarHBondContact SG-SG 3.41Å; C245-C254 VanDerWaalsContact CB-SG 3.59Å; I246-C254 CarbonylContact O-C 3.4Å; I246-C254 WeakPolarHBondContact O-CA 3.31Å; W247-C254 HydrophobicContact CE3-CB 3.89Å; W247-C254 HydrophobicContact CZ3-CB 4.16Å |
| 255 | I | 92.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 148 | -177.8 | 65 | 173.5 | 0 | 0 | 0 | 111.9 | L52 I222 C245 I246 | L52-I255 HydrophobicContact CD1-CG2 3.49Å; L52-I255 VanDerWaalsContact CD1-CG2 3.49Å; L52-I255 HydrophobicContact CD2-CD1 4.21Å; L52-I255 HydrophobicContact CD2-CG2 4.16Å; L52-I255 HydrophobicContact CG-CG2 4.48Å; I222-I255 HydrophobicContact CD1-CG2 4.45Å; I222-I255 HydrophobicContact CG2-CB 3.85Å; I222-I255 HydrophobicContact CG2-CG2 4.25Å; C245-I255 CarbonylContact C-O 3.56Å; C245-I255 WeakPolarHBondContact CA-O 3.23Å; I246-I255 HydrophobicContact CB-CG1 4.03Å; I246-I255 PolarHBondContact N-O 2.94Å; I246-I255 PolarHBondContact O-N 2.67Å |
| 256 | E | 91.6 | Very high | 88.6 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 5% | 0.051 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 139.9 | 169 | -79.9 | -173.3 | -132.8 | 0 | 0 | 111.7 | I222 G223 K224 N225 C226 M243 R244 N258 | I222-E256 HydrophobicContact CG2-CB 4.39Å; G223-E256 VanDerWaalsContact CA-OE1 3.27Å; G223-E256 WeakPolarHBondContact CA-OE1 3.38Å; K224-E256 PolarHBondContact N-OE1 2.84Å; N225-E256 WeakPolarHBondContact CA-OE1 3.25Å; N225-E256 WeakPolarHBondContact CB-OE1 3.28Å; N225-E256 VanDerWaalsContact CG-OE1 3.31Å; N225-E256 PolarHBondContact N-OE1 3.46Å; N225-E256 PolarHBondContact ND2-OE1 3.34Å; C226-E256 HydrophobicContact CB-CG 3.69Å; C226-E256 WeakPolarHBondContact SG-CG 3.36Å; M243-E256 HydrophobicContact CG-CG 4.21Å; M243-E256 HydrophobicContact SD-CG 4.48Å; R244-E256 CarbonylContact O-C 3.49Å; R244-E256 WeakPolarHBondContact O-CA 3.36Å; E256-N258 PolarHBondContact OE2-ND2 2.92Å |
| 257 | S | 88.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -142.6 | 62.7 | -178.9 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | R244 I246 H263 K266 | R244-S257 PolarHBondContact O-N 3.17Å; I246-S257 VanDerWaalsContact CD1-OG 3.24Å; I246-S257 WeakPolarHBondContact CD1-OG 3.2Å; S257-H263 WeakPolarHBondContact CB-ND1 3.24Å; S257-H263 PolarHBondContact O-ND1 3.42Å; S257-H263 VanDerWaalsContact O-ND1 3.07Å; S257-H263 WeakPolarHBondContact OG-CA 3.41Å; S257-H263 PolarHBondContact OG-ND1 2.67Å; S257-K266 WeakPolarHBondContact OG-CD 3.49Å | ||
| 258 | N | 82.4 | Confident | 88.2 | Confident | 71 Ų | 71 | 52.5 Ų | 52.5 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | trans | -85 | -16.8 | -173.4 | -56.1 | -26.1 | 0 | 0 | 0 | 113.3 | M243 R244 E256 N260 | M243-N258 VanDerWaalsContact CA-OD1 3.26Å; M243-N258 WeakPolarHBondContact CA-OD1 3.39Å; R244-N258 PolarHBondContact N-OD1 3.08Å; E256-N258 PolarHBondContact OE2-ND2 2.92Å; N258-N260 PolarHBondContact O-N 3.1Å | ||
| 259 | D | 82.7 | Confident | 88.1 | Confident | 41 Ų | 41 | 53 Ų | 53 | 22% | 0.219 | 29% | 0.287 | C | S | . | . | trans | -74 | 114.9 | 174.2 | -172.5 | -34.5 | 0 | 0 | 0 | 109 | N166 D261 T262 H263 | N166-D259 PolarHBondContact ND2-OD2 3.21Å; D259-D261 VanDerWaalsContact C-N 3.27Å; D259-D261 PolarHBondContact O-N 2.76Å; D259-D261 WeakPolarHBondContact OD1-CB 3.25Å; D259-D261 PolarHBondContact OD1-N 2.86Å; D259-T262 WeakPolarHBondContact CB-OG1 3Å; D259-T262 PolarHBondContact O-N 2.81Å; D259-T262 PolarHBondContact OD1-N 2.87Å; D259-H263 WeakPolarHBondContact O-CB 3.27Å; D259-H263 PolarHBondContact O-N 2.87Å | ||
| 260 | N | 82.6 | Confident | 88 | Confident | 108 Ų | 108 | 50.5 Ų | 50.5 | 58% | 0.578 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -32.4 | -177.3 | -80 | -39.7 | 0 | 0 | 0 | 112.5 | R244 N258 T262 | R244-N260 PolarHBondContact NH1-OD1 2.64Å; R244-N260 PolarHBondContact NH2-OD1 2.77Å; N258-N260 PolarHBondContact O-N 3.1Å; N260-T262 VanDerWaalsContact C-N 3.34Å |
| 261 | D | 83.1 | Confident | 87.8 | Confident | 147 Ų | 147 | 48.2 Ų | 48.2 | 79% | 0.786 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -28.9 | -174.9 | -63 | -23.4 | 0 | 0 | 0 | 111 | D259 | D259-D261 VanDerWaalsContact C-N 3.27Å; D259-D261 PolarHBondContact O-N 2.76Å; D259-D261 WeakPolarHBondContact OD1-CB 3.25Å; D259-D261 PolarHBondContact OD1-N 2.86Å |
| 262 | T | 84.5 | Confident | 87.1 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -6.7 | -179 | 70.5 | 0 | 0 | 0 | 0 | 113.7 | E220 D259 N260 G264 L265 K266 | E220-T262 WeakPolarHBondContact OE1-CB 3.47Å; E220-T262 PolarHBondContact OE1-OG1 2.99Å; D259-T262 WeakPolarHBondContact CB-OG1 3Å; D259-T262 PolarHBondContact O-N 2.81Å; D259-T262 PolarHBondContact OD1-N 2.87Å; N260-T262 VanDerWaalsContact C-N 3.34Å; T262-G264 PolarHBondContact O-N 3.04Å; T262-L265 WeakPolarHBondContact O-CB 3.2Å; T262-L265 PolarHBondContact O-N 2.65Å; T262-L265 VanDerWaalsContact O-N 3.08Å; T262-K266 PolarHBondContact O-N 2.86Å |
| 263 | H | 85 | Confident | 85.5 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 21% | 0.208 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -53.8 | -53.1 | -175.3 | -178.9 | 77.5 | 0 | 0 | 0 | 112.7 | S257 D259 L265 K266 V267 | S257-H263 WeakPolarHBondContact CB-ND1 3.24Å; S257-H263 PolarHBondContact O-ND1 3.42Å; S257-H263 VanDerWaalsContact O-ND1 3.07Å; S257-H263 WeakPolarHBondContact OG-CA 3.41Å; S257-H263 PolarHBondContact OG-ND1 2.67Å; D259-H263 WeakPolarHBondContact O-CB 3.27Å; D259-H263 PolarHBondContact O-N 2.87Å; H263-L265 VanDerWaalsContact C-N 3.29Å; H263-L265 PolarHBondContact O-N 2.87Å; H263-K266 PolarHBondContact O-N 3.18Å; H263-V267 WeakPolarHBondContact O-CG2 3.32Å; H263-V267 PolarHBondContact O-N 2.98Å |
| 264 | G | 86.3 | Confident | 83.3 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -35.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T262 V267 N268 | T262-G264 PolarHBondContact O-N 3.04Å; G264-V267 PolarHBondContact O-N 2.88Å; G264-N268 VanDerWaalsContact O-CG 3.26Å; G264-N268 PolarHBondContact O-N 3Å; G264-N268 PolarHBondContact O-ND2 3.32Å |
| 265 | L | 86.6 | Confident | 80.9 | Confident | 84 Ų | 84 | 61.4 Ų | 61.4 | 44% | 0.44 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 174.4 | -65.3 | 173.4 | 0 | 0 | 0 | 110.9 | T262 H263 V267 N268 D269 | T262-L265 WeakPolarHBondContact O-CB 3.2Å; T262-L265 PolarHBondContact O-N 2.65Å; T262-L265 VanDerWaalsContact O-N 3.08Å; H263-L265 VanDerWaalsContact C-N 3.29Å; H263-L265 PolarHBondContact O-N 2.87Å; L265-V267 VanDerWaalsContact C-N 3.31Å; L265-V267 PolarHBondContact O-N 3.06Å; L265-N268 PolarHBondContact O-N 3Å; L265-D269 WeakPolarHBondContact O-CB 3.04Å; L265-D269 PolarHBondContact O-N 3.4Å |
| 266 | K | 88.5 | Confident | 78.5 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 1% | 0.013 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.4 | -36.9 | 176.9 | -75 | 175.8 | 164.1 | 168.1 | 0 | 112.8 | E220 I246 S257 T262 H263 D269 C270 | E220-K266 VanDerWaalsContact OE1-CE 3.23Å; E220-K266 WeakPolarHBondContact OE1-CE 3.48Å; E220-K266 IonicContact OE1-NZ 2.67Å; E220-K266 PolarHBondContact OE1-NZ 3.49Å; E220-K266 VanDerWaalsContact OE2-CE 3.26Å; E220-K266 WeakPolarHBondContact OE2-CE 3.46Å; E220-K266 IonicContact OE2-NZ 3.34Å; I246-K266 HydrophobicContact CD1-CB 3.69Å; S257-K266 WeakPolarHBondContact OG-CD 3.49Å; T262-K266 PolarHBondContact O-N 2.86Å; H263-K266 PolarHBondContact O-N 3.18Å; K266-D269 PolarHBondContact O-N 3.23Å; K266-C270 WeakPolarHBondContact O-CB 3.28Å; K266-C270 PolarHBondContact O-N 3.26Å |
| 267 | V | 89.5 | Confident | 75.8 | Confident | 45 Ų | 45 | 73.5 Ų | 73.5 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -53.4 | 173.3 | 172.8 | 0 | 0 | 0 | 0 | 109.3 | I246 H263 G264 L265 D269 C270 H271 | I246-V267 HydrophobicContact CD1-CB 4.32Å; I246-V267 HydrophobicContact CD1-CG2 3.44Å; I246-V267 VanDerWaalsContact CD1-CG2 3.44Å; I246-V267 HydrophobicContact CG1-CG2 3.91Å; I246-V267 HydrophobicContact CG2-CG2 4.46Å; H263-V267 WeakPolarHBondContact O-CG2 3.32Å; H263-V267 PolarHBondContact O-N 2.98Å; G264-V267 PolarHBondContact O-N 2.88Å; L265-V267 VanDerWaalsContact C-N 3.31Å; L265-V267 PolarHBondContact O-N 3.06Å; V267-D269 VanDerWaalsContact C-N 3.28Å; V267-D269 PolarHBondContact O-N 2.83Å; V267-C270 PolarHBondContact O-N 3.21Å; V267-H271 WeakPolarHBondContact O-CB 3.46Å; V267-H271 PolarHBondContact O-CD2 3.13Å; V267-H271 PolarHBondContact O-N 2.74Å |
| 268 | N | 88.9 | Confident | 73.2 | Confident | 106 Ų | 106 | 83.4 Ų | 83.4 | 57% | 0.567 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -58.5 | -43.3 | 178.9 | -67.9 | -17.4 | 0 | 0 | 0 | 111.2 | G264 L265 C270 H271 V272 | G264-N268 VanDerWaalsContact O-CG 3.26Å; G264-N268 PolarHBondContact O-N 3Å; G264-N268 PolarHBondContact O-ND2 3.32Å; L265-N268 PolarHBondContact O-N 3Å; N268-C270 VanDerWaalsContact C-N 3.34Å; N268-C270 PolarHBondContact O-N 2.8Å; N268-H271 CarbonylContact O-C 3.52Å; N268-H271 PolarHBondContact O-N 3Å; N268-H271 VanDerWaalsContact O-N 3.17Å; N268-V272 WeakPolarHBondContact O-CG2 3.42Å; N268-V272 PolarHBondContact O-N 3.39Å |
| 269 | D | 90.7 | Very high | 71.2 | Confident | 10 Ų | 10 | 87.2 Ų | 87.2 | 5% | 0.053 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 179.8 | -68.6 | -26.1 | 0 | 0 | 0 | 112.9 | I42 Y48 Y50 R59 L265 K266 V267 | I42-D269 WeakPolarHBondContact CG2-O 3.47Å; Y48-D269 PolarHBondContact OH-OD1 2.95Å; Y48-D269 PolarHBondContact OH-OD2 3.31Å; Y48-D269 VanDerWaalsContact OH-OD2 3.09Å; Y50-D269 HydrophobicContact CD1-CB 3.47Å; Y50-D269 VanDerWaalsContact CD1-CB 3.47Å; Y50-D269 HydrophobicContact CD2-CB 4.18Å; Y50-D269 HydrophobicContact CE1-CB 3.67Å; Y50-D269 HydrophobicContact CE2-CB 4.35Å; Y50-D269 HydrophobicContact CG-CB 3.74Å; R59-D269 IonicContact CZ-OD2 3.91Å; R59-D269 VanDerWaalsContact CZ-OD2 3.26Å; R59-D269 IonicContact NE-OD2 2.75Å; R59-D269 PolarHBondContact NE-OD2 3.03Å; R59-D269 IonicContact NH2-OD2 3.64Å; R59-D269 PolarHBondContact NH2-OD2 2.64Å; L265-D269 WeakPolarHBondContact O-CB 3.04Å; L265-D269 PolarHBondContact O-N 3.4Å; K266-D269 PolarHBondContact O-N 3.23Å; V267-D269 VanDerWaalsContact C-N 3.28Å; V267-D269 PolarHBondContact O-N 2.83Å |
| 270 | C | 89.9 | Confident | 69.2 | Low | 6 Ų | 6 | 90.8 Ų | 90.8 | 4% | 0.041 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -76 | -24.7 | 177.1 | -80.4 | 0 | 0 | 0 | 0 | 113.8 | I246 C248 P249 K266 V267 N268 | I246-C270 HydrophobicContact CG2-CB 3.86Å; C248-C270 HydrophobicContact CB-CB 3.68Å; C248-C270 WeakPolarHBondContact CB-SG 3.13Å; C248-C270 WeakPolarHBondContact SG-CB 3.43Å; C248-C270 CovalentContact SG-SG 2.04Å; C248-C270 PolarHBondContact SG-SG 2.73Å; P249-C270 WeakPolarHBondContact CD-O 3.36Å; K266-C270 WeakPolarHBondContact O-CB 3.28Å; K266-C270 PolarHBondContact O-N 3.26Å; V267-C270 PolarHBondContact O-N 3.21Å; N268-C270 VanDerWaalsContact C-N 3.34Å; N268-C270 PolarHBondContact O-N 2.8Å |
| 271 | H | 86.5 | Confident | 67.2 | Low | 84 Ų | 84 | 95 Ų | 95 | 39% | 0.389 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 24 | -176.3 | -65.3 | -72.7 | 0 | 0 | 0 | 113.3 | W247 V267 N268 E273 | W247-H271 PolarHBondContact O-CE1 2.81Å; W247-H271 VanDerWaalsContact O-CE1 3.29Å; W247-H271 PolarHBondContact O-NE2 2.99Å; V267-H271 WeakPolarHBondContact O-CB 3.46Å; V267-H271 PolarHBondContact O-CD2 3.13Å; V267-H271 PolarHBondContact O-N 2.74Å; N268-H271 CarbonylContact O-C 3.52Å; N268-H271 PolarHBondContact O-N 3Å; N268-H271 VanDerWaalsContact O-N 3.17Å; H271-E273 PolarHBondContact O-N 3.25Å |
| 272 | V | 74.8 | Confident | 65 | Low | 46 Ų | 46 | 92.1 Ų | 92.1 | 28% | 0.279 | 49% | 0.485 | S | S | . | . | trans | -64.9 | 88 | 175.1 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | F43 N268 | F43-V272 HydrophobicContact CB-CB 4.35Å; F43-V272 HydrophobicContact CB-CG2 4.28Å; F43-V272 HydrophobicContact CD1-CB 4.46Å; F43-V272 HydrophobicContact CD1-CG1 4.25Å; F43-V272 HydrophobicContact CD1-CG2 4.18Å; F43-V272 HydrophobicContact CD2-CB 3.79Å; F43-V272 HydrophobicContact CD2-CG1 3.54Å; F43-V272 HydrophobicContact CD2-CG2 4.36Å; F43-V272 HydrophobicContact CE1-CG1 4.19Å; F43-V272 HydrophobicContact CE2-CB 4.23Å; F43-V272 HydrophobicContact CE2-CG1 3.44Å; F43-V272 VanDerWaalsContact CE2-CG1 3.44Å; F43-V272 HydrophobicContact CG-CB 3.94Å; F43-V272 HydrophobicContact CG-CG1 3.97Å; F43-V272 HydrophobicContact CG-CG2 4.01Å; F43-V272 HydrophobicContact CZ-CG1 3.8Å; N268-V272 WeakPolarHBondContact O-CG2 3.42Å; N268-V272 PolarHBondContact O-N 3.39Å | ||
| 273 | E | 56.7 | Low | 63.1 | Low | 169 Ų | 169 | 101.6 Ų | 101.6 | 79% | 0.79 | 54% | 0.543 | S | S | * | . | trans | -73.4 | 128.1 | 156.1 | -66 | -177.6 | 178.1 | 0 | 0 | 106.1 | H271 H275 | H271-E273 PolarHBondContact O-N 3.25Å; E273-H275 PolarHBondContact O-N 3.09Å | ||
| 274 | N | 44.1 | Very low | 62 | Low | 119 Ų | 119 | 104.4 Ų | 104.4 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | trans | -32.4 | 98.4 | -179.4 | -80.4 | -26.7 | 0 | 0 | 0 | 112.7 | Q276 | N274-Q276 PolarHBondContact O-N 2.88Š| ||
| 275 | H | 44.1 | Very low | 60.7 | Low | 141 Ų | 141 | 107.8 Ų | 107.8 | 65% | 0.653 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -69.8 | 14.2 | 178.1 | -103.2 | -75.5 | 0 | 0 | 0 | 113.2 | E273 S277 | E273-H275 PolarHBondContact O-N 3.09Å; H275-S277 VanDerWaalsContact C-N 3.29Å; H275-S277 PolarHBondContact O-N 3.25Å |
| 276 | Q | 42.4 | Very low | 59.3 | Low | 175 Ų | 175 | 109.1 Ų | 109.1 | 82% | 0.818 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -82.2 | 6.3 | 174.7 | -103.9 | 144.7 | -22.6 | 0 | 0 | 114.6 | N274 | N274-Q276 PolarHBondContact O-N 2.88Š|
| 277 | S | 33.1 | Very low | 57.6 | Low | 91 Ų | 91 | 115.4 Ų | 115.4 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -109.5 | 7.3 | 177.7 | 58 | 0 | 0 | 0 | 0 | 115.9 | H275 | H275-S277 VanDerWaalsContact C-N 3.29Å; H275-S277 PolarHBondContact O-N 3.25Å |
| 278 | R | 35.4 | Very low | 55.6 | Low | 208 Ų | 208 | 119.8 Ų | 119.8 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -116.8 | 12.6 | -179.4 | -77.4 | -169.3 | -173.1 | 167.5 | 6.4 | 116.8 | ||
| 279 | I | 40.2 | Very low | 53.4 | Low | 151 Ų | 151 | 120.7 Ų | 120.7 | 77% | 0.774 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -114.4 | 1.8 | 177.5 | -59.6 | 177.1 | 0 | 0 | 0 | 112.3 | ||
| 280 | T | 39.9 | Very low | 50.7 | Low | 116 Ų | 116 | 128.6 Ų | 128.6 | 71% | 0.712 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -110.5 | 12.4 | -175.8 | 0.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 281 | E | 41.1 | Very low | 47.7 | Very low | 196 Ų | 196 | 138 Ų | 138 | 92% | 0.916 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -125 | 20.7 | 175.1 | -72.3 | -172.3 | 161.3 | 0 | 0 | 113.9 | ||
| 282 | A | 37.4 | Very low | 44.5 | Very low | 87 Ų | 87 | 142.5 Ų | 142.5 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | trans | -129.6 | 59.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 283 | T | 44.3 | Very low | 41.7 | Very low | 211 Ų | 211 | 151.3 Ų | 151.3 | 100% | 1.294 | 79% | 0.794 | S | S | * | * | trans | -154.8 | 0 | 158.2 | 27 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 283 of 283 residues in 279.4 ms
(Link to these results)