| 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 | 47.8 | Very low | 46.7 | Very low | 253 Ų | 253 | 174.8 Ų | 174.8 | 100% | 1.246 | 89% | 0.891 | S | S | * | * | 0 | 105.5 | 0 | -73.1 | 172.8 | 171.4 | 0 | 0 | 104.7 | |||||
| 2 | A | 44.5 | Very low | 46.3 | Very low | 93 Ų | 93 | 175.5 Ų | 175.5 | 77% | 0.769 | 88% | 0.883 | S | S | * | * | trans | -96 | 129.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 3 | D | 45 | Very low | 45.9 | Very low | 158 Ų | 158 | 166.2 Ų | 166.2 | 85% | 0.845 | 86% | 0.859 | S | S | * | * | -172.9 | 118 | 127.5 | -103.2 | -9.5 | 0 | 0 | 0 | 107.9 | |||||
| 4 | D | 52.9 | Low | 45.7 | Very low | 162 Ų | 162 | 167.4 Ų | 167.4 | 87% | 0.866 | 86% | 0.859 | S | S | * | * | trans | -53.5 | 132.6 | 167.8 | -88.6 | -39.5 | 0 | 0 | 0 | 109.3 | E6 | D4-E6 PolarHBondContact O-N 3.44Š| ||
| 5 | Q | 51.4 | Low | 45.4 | Very low | 184 Ų | 184 | 165.1 Ų | 165.1 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | trans | -82.1 | 111 | 165.7 | -69.4 | 175.6 | 20 | 0 | 0 | 106.6 | L7 | Q5-L7 PolarHBondContact O-N 3.44Š| ||
| 6 | E | 44.5 | Very low | 45.3 | Very low | 185 Ų | 185 | 164.3 Ų | 164.3 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | trans | -53.1 | 120.1 | 169.2 | -70.5 | -166.3 | 144.6 | 0 | 0 | 109.2 | D4 D8 | D4-E6 PolarHBondContact O-N 3.44Å; E6-D8 PolarHBondContact O-N 3.24Å | ||
| 7 | L | 48 | Very low | 45.5 | Very low | 165 Ų | 165 | 164.8 Ų | 164.8 | 86% | 0.864 | 84% | 0.844 | S | S | * | * | trans | -76.7 | 111.9 | 167.5 | -89.4 | 144.9 | 0 | 0 | 0 | 106.7 | Q5 E9 | Q5-L7 PolarHBondContact O-N 3.44Å; L7-E9 PolarHBondContact O-N 3Å | ||
| 8 | D | 47.5 | Very low | 45.3 | Very low | 153 Ų | 153 | 164.8 Ų | 164.8 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -51.5 | 120.6 | 171.9 | -78.8 | -38.9 | 0 | 0 | 0 | 109.8 | E6 E10 | E6-D8 PolarHBondContact O-N 3.24Å; D8-E10 PolarHBondContact O-N 3.21Å | ||
| 9 | E | 44.7 | Very low | 45.2 | Very low | 195 Ų | 195 | 163.9 Ų | 163.9 | 91% | 0.911 | 84% | 0.838 | S | S | * | * | trans | -66.1 | 91.9 | 170.3 | -69.5 | 173.5 | 160.5 | 0 | 0 | 108.2 | L7 E11 | L7-E9 PolarHBondContact O-N 3Å; E9-E11 PolarHBondContact O-N 3Å | ||
| 10 | E | 44.5 | Very low | 45.3 | Very low | 187 Ų | 187 | 162.8 Ų | 162.8 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -68.3 | 100.6 | 164.2 | -75.2 | -162.9 | 176.7 | 0 | 0 | 108.5 | D8 F12 | D8-E10 PolarHBondContact O-N 3.21Å; E10-F12 PolarHBondContact O-N 2.99Å | ||
| 11 | E | 43.1 | Very low | 45.1 | Very low | 188 Ų | 188 | 162.1 Ų | 162.1 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | trans | -39.7 | 99.7 | 167.9 | -171.5 | 172.6 | -176 | 0 | 0 | 111 | E9 G13 | E9-E11 PolarHBondContact O-N 3Å; E11-G13 PolarHBondContact O-N 3.01Å | ||
| 12 | F | 41.4 | Very low | 45.2 | Very low | 183 Ų | 183 | 157.8 Ų | 157.8 | 80% | 0.803 | 81% | 0.807 | S | S | * | * | trans | -69.5 | 96 | 170.6 | -151.2 | -93.5 | 0 | 0 | 0 | 106.5 | E10 E14 | E10-F12 PolarHBondContact O-N 2.99Å; F12-E14 PolarHBondContact O-N 3.27Å | ||
| 13 | G | 41.8 | Very low | 45.1 | Very low | 55 Ų | 55 | 161.9 Ų | 161.9 | 57% | 0.567 | 81% | 0.81 | S | S | * | * | trans | -50.8 | 125.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E11 D15 | E11-G13 PolarHBondContact O-N 3.01Å; G13-D15 PolarHBondContact O-N 3.25Å | ||
| 14 | E | 43.4 | Very low | 45.5 | Very low | 183 Ų | 183 | 161.1 Ų | 161.1 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -50.4 | 123.3 | 179.6 | -67.7 | 175.5 | 145.6 | 0 | 0 | 109.7 | F12 D16 | F12-E14 PolarHBondContact O-N 3.27Å; E14-D16 PolarHBondContact O-N 2.94Å | ||
| 15 | D | 40.8 | Very low | 45 | Very low | 133 Ų | 133 | 160.4 Ų | 160.4 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -60.1 | 98.6 | 168.2 | -74.8 | -50.5 | 0 | 0 | 0 | 107.7 | G13 E17 | G13-D15 PolarHBondContact O-N 3.25Å; D15-E17 PolarHBondContact O-N 2.88Å | ||
| 16 | D | 44.2 | Very low | 44.8 | Very low | 151 Ų | 151 | 160.2 Ų | 160.2 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -65.2 | 86.4 | 161.5 | -82.8 | -38.3 | 0 | 0 | 0 | 107.2 | E14 E18 | E14-D16 PolarHBondContact O-N 2.94Å; D16-E18 PolarHBondContact O-N 2.87Å | ||
| 17 | E | 47.5 | Very low | 44.8 | Very low | 174 Ų | 174 | 160 Ų | 160 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -64.2 | 81.9 | 159.6 | -72.2 | -175.7 | 167.7 | 0 | 0 | 107.4 | D15 D19 | D15-E17 PolarHBondContact O-N 2.88Å; E17-D19 PolarHBondContact O-N 2.99Å | ||
| 18 | E | 43 | Very low | 44.2 | Very low | 165 Ų | 165 | 158.9 Ų | 158.9 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | -63.6 | 102.2 | 163.2 | -75.3 | -170.4 | 167.3 | 0 | 0 | 107.3 | D16 I20 | D16-E18 PolarHBondContact O-N 2.87Å; E18-I20 VanDerWaalsContact C-N 3.26Å; E18-I20 PolarHBondContact O-N 2.83Å | ||
| 19 | D | 43.4 | Very low | 44 | Very low | 148 Ų | 148 | 160.6 Ų | 160.6 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -55.2 | 92.7 | 163.1 | -81.5 | -42.3 | 0 | 0 | 0 | 108.1 | E17 D21 | E17-D19 PolarHBondContact O-N 2.99Å; D19-D21 PolarHBondContact O-N 2.9Å | ||
| 20 | I | 47.2 | Very low | 43.9 | Very low | 141 Ų | 141 | 157.6 Ų | 157.6 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | -71.3 | 88.5 | 167.3 | -58.9 | 170.6 | 0 | 0 | 0 | 105.4 | E18 E22 | E18-I20 VanDerWaalsContact C-N 3.26Å; E18-I20 PolarHBondContact O-N 2.83Å; I20-E22 VanDerWaalsContact C-N 3.28Å; I20-E22 PolarHBondContact O-N 2.86Å | ||
| 21 | D | 41.4 | Very low | 43.8 | Very low | 148 Ų | 148 | 154.7 Ų | 154.7 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -55.5 | 99.6 | 159.9 | -84.4 | -30.7 | 0 | 0 | 0 | 106.7 | D19 E23 | D19-D21 PolarHBondContact O-N 2.9Å; D21-E23 PolarHBondContact O-N 2.85Å | ||
| 22 | E | 48.1 | Very low | 43.8 | Very low | 163 Ų | 163 | 147.9 Ų | 147.9 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -64.8 | 77.3 | 167.8 | -75.6 | -175.3 | 167.5 | 0 | 0 | 108 | I20 I24 | I20-E22 VanDerWaalsContact C-N 3.28Å; I20-E22 PolarHBondContact O-N 2.86Å; E22-I24 PolarHBondContact O-N 2.75Å | ||
| 23 | E | 44.1 | Very low | 44.3 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -69.3 | 83.4 | 163.5 | -154.2 | 168.8 | -153 | 0 | 0 | 106 | D21 E25 | D21-E23 PolarHBondContact O-N 2.85Å; E23-E25 PolarHBondContact O-N 2.96Å | ||
| 24 | I | 52.5 | Low | 45.1 | Very low | 142 Ų | 142 | 147.7 Ų | 147.7 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | trans | -63.2 | 94.7 | 167.9 | -60.3 | 173.4 | 0 | 0 | 0 | 105.1 | E22 E26 | E22-I24 PolarHBondContact O-N 2.75Å; I24-E26 PolarHBondContact O-N 3.38Å | ||
| 25 | E | 42.7 | Very low | 45.7 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | trans | -52.6 | 113.3 | 164.9 | -77.5 | -167.2 | 168.1 | 0 | 0 | 106.7 | E23 F27 | E23-E25 PolarHBondContact O-N 2.96Å; E25-F27 WeakPolarHBondContact O-CD2 3.46Å; E25-F27 PolarHBondContact O-N 3.36Å | ||
| 26 | E | 45.8 | Very low | 47.2 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 84% | 0.841 | 70% | 0.697 | S | S | * | * | trans | -57.3 | 97.2 | 165.7 | -168.8 | 171.5 | -162 | 0 | 0 | 105 | I24 D28 | I24-E26 PolarHBondContact O-N 3.38Å; E26-D28 PolarHBondContact O-N 2.85Å | ||
| 27 | F | 44.7 | Very low | 48.5 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 79% | 0.789 | 67% | 0.667 | S | S | * | * | trans | -59.7 | 95.6 | 175.2 | -82.9 | -89.7 | 0 | 0 | 0 | 106.2 | E25 Q29 | E25-F27 WeakPolarHBondContact O-CD2 3.46Å; E25-F27 PolarHBondContact O-N 3.36Å; F27-Q29 PolarHBondContact O-N 3.21Å; F27-Q29 VanDerWaalsContact O-N 3.12Å | ||
| 28 | D | 36.2 | Very low | 49.7 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | trans | -47.4 | 125.2 | 169.7 | -108.2 | -23.1 | 0 | 0 | 0 | 106 | E26 V30 | E26-D28 PolarHBondContact O-N 2.85Å; D28-V30 WeakPolarHBondContact O-CG2 3.46Å; D28-V30 PolarHBondContact O-N 3.34Å | ||
| 29 | Q | 44.4 | Very low | 50.6 | Low | 190 Ų | 190 | 122.5 Ų | 122.5 | 89% | 0.888 | 63% | 0.631 | S | S | * | * | trans | -56.9 | 90.2 | -178.8 | -169.1 | 168 | 99.1 | 0 | 0 | 107.2 | F27 D31 | F27-Q29 PolarHBondContact O-N 3.21Å; F27-Q29 VanDerWaalsContact O-N 3.12Å; Q29-D31 PolarHBondContact O-N 2.92Å | ||
| 30 | V | 41.8 | Very low | 51.6 | Low | 131 Ų | 131 | 118.5 Ų | 118.5 | 79% | 0.794 | 61% | 0.614 | S | S | * | * | trans | -59.5 | 112.6 | 179.8 | -152.5 | 0 | 0 | 0 | 0 | 103.9 | D28 G32 | D28-V30 WeakPolarHBondContact O-CG2 3.46Å; D28-V30 PolarHBondContact O-N 3.34Å; V30-G32 VanDerWaalsContact O-CA 3.26Å; V30-G32 WeakPolarHBondContact O-CA 3.39Å; V30-G32 PolarHBondContact O-N 3.06Å | ||
| 31 | D | 42.9 | Very low | 51.8 | Low | 126 Ų | 126 | 117 Ų | 117 | 67% | 0.674 | 61% | 0.612 | S | S | * | * | trans | -48.6 | 89.7 | -172.9 | -151.1 | -5.2 | 0 | 0 | 0 | 108.6 | Q29 Q33 | Q29-D31 PolarHBondContact O-N 2.92Å; D31-Q33 PolarHBondContact O-N 3.16Å; D31-Q33 WeakPolarHBondContact OD1-CG 3.34Å; D31-Q33 PolarHBondContact OD1-NE2 3.5Å; D31-Q33 PolarHBondContact OD2-NE2 2.98Å | ||
| 32 | G | 43.3 | Very low | 52.1 | Low | 45 Ų | 45 | 115 Ų | 115 | 46% | 0.464 | 61% | 0.609 | S | S | . | * | trans | -87.9 | 43.4 | -160.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V30 D34 | V30-G32 VanDerWaalsContact O-CA 3.26Å; V30-G32 WeakPolarHBondContact O-CA 3.39Å; V30-G32 PolarHBondContact O-N 3.06Å; G32-D34 PolarHBondContact O-N 3.24Å | ||
| 33 | Q | 51.8 | Low | 51.9 | Low | 127 Ų | 127 | 114.4 Ų | 114.4 | 59% | 0.593 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -6.5 | -163.3 | -68.5 | -178.5 | -5.5 | 0 | 0 | 114.5 | D31 Y111 | D31-Q33 PolarHBondContact O-N 3.16Å; D31-Q33 WeakPolarHBondContact OD1-CG 3.34Å; D31-Q33 PolarHBondContact OD1-NE2 3.5Å; D31-Q33 PolarHBondContact OD2-NE2 2.98Å; Q33-Y111 WeakPolarHBondContact O-CD2 3.49Å |
| 34 | D | 57.9 | Low | 51.8 | Low | 108 Ų | 108 | 112.9 Ų | 112.9 | 58% | 0.578 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -9 | -169.2 | -71.5 | -39.8 | 0 | 0 | 0 | 116.3 | G32 Y111 | G32-D34 PolarHBondContact O-N 3.24Å; D34-Y111 WeakPolarHBondContact O-CD2 3.31Å |
| 35 | I | 55.3 | Low | 51.2 | Low | 31 Ų | 31 | 115.2 Ų | 115.2 | 16% | 0.159 | 61% | 0.614 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -146.3 | 110.3 | -179.2 | -54.1 | 174.8 | 0 | 0 | 0 | 111.7 | E63 R66 I108 R109 | I35-E63 HydrophobicContact CD1-CG 4.01Å; I35-R66 PolarHBondContact O-NH1 3.38Å; I35-R66 PolarHBondContact O-NH2 2.83Å; I35-I108 HydrophobicContact CG2-CG2 4.16Å; I35-R109 WeakPolarHBondContact CA-O 3.46Å |
| 36 | D | 73.9 | Confident | 51.3 | Low | 72 Ų | 72 | 114.9 Ų | 114.9 | 39% | 0.385 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 136.8 | 167.3 | -90.9 | -16.1 | 0 | 0 | 0 | 110.4 | R109 Y111 | D36-R109 HydrophobicContact CB-CB 4.16Å; D36-R109 PolarHBondContact N-O 2.79Å; D36-R109 PolarHBondContact O-N 2.61Å; D36-Y111 HydrophobicContact CB-CE2 4.24Å; D36-Y111 PolarHBondContact OD2-OH 2.89Å |
| 37 | I | 70.4 | Confident | 51.3 | Low | 37 Ų | 37 | 110.9 Ų | 110.9 | 19% | 0.19 | 61% | 0.61 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 113.4 | 174.7 | -75.3 | 170.6 | 0 | 0 | 0 | 108 | R66 V67 T70 I106 I107 | I37-R66 HydrophobicContact CD1-CB 4.26Å; I37-R66 HydrophobicContact CD1-CG 3.66Å; I37-V67 HydrophobicContact CD1-CG2 4.38Å; I37-T70 HydrophobicContact CD1-CG2 4.4Å; I37-T70 WeakPolarHBondContact CD1-OG1 3.35Å; I37-T70 HydrophobicContact CG2-CG2 4.12Å; I37-I106 HydrophobicContact CB-CG2 4.3Å; I37-I106 HydrophobicContact CG1-CG2 4.17Å; I37-I106 HydrophobicContact CG2-CB 4.33Å; I37-I106 HydrophobicContact CG2-CD1 4.12Å; I37-I106 HydrophobicContact CG2-CG1 4.05Å; I37-I106 HydrophobicContact CG2-CG2 3.47Å; I37-I106 VanDerWaalsContact CG2-CG2 3.47Å; I37-I107 WeakPolarHBondContact CA-O 3.45Å |
| 38 | L | 72.1 | Confident | 51.5 | Low | 56 Ų | 56 | 109.6 Ų | 109.6 | 29% | 0.293 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.7 | 140.5 | -179 | -63.9 | 171.7 | 0 | 0 | 0 | 110.9 | I107 | L38-I107 HydrophobicContact CB-CB 4.36Å; L38-I107 PolarHBondContact N-O 3.33Å; L38-I107 PolarHBondContact O-N 3.47Å |
| 39 | P | 63.8 | Low | 52.3 | Low | 80 Ų | 80 | 104.9 Ų | 104.9 | 52% | 0.519 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.4 | 139.1 | 171.5 | 27.7 | -31.8 | 0 | 0 | 0 | 110 | T41 | P39-T41 PolarHBondContact O-N 2.91Å |
| 40 | S | 62.4 | Low | 52.8 | Low | 64 Ų | 64 | 99.3 Ų | 99.3 | 45% | 0.448 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -67.6 | 2.8 | -175.1 | 60.3 | 0 | 0 | 0 | 0 | 115.4 | S42 | S40-S42 PolarHBondContact O-N 3.24Š|
| 41 | T | 51.6 | Low | 53.9 | Low | 110 Ų | 110 | 98.6 Ų | 98.6 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | trans | -93.5 | 76.9 | 179.8 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | P39 | P39-T41 PolarHBondContact O-N 2.91Š| ||
| 42 | S | 48.5 | Very low | 55.4 | Low | 106 Ų | 106 | 99.9 Ų | 99.9 | 74% | 0.741 | 58% | 0.576 | S | S | * | * | trans | -143.4 | 81 | 165.8 | -64.2 | 0 | 0 | 0 | 0 | 108.6 | S40 | S40-S42 PolarHBondContact O-N 3.24Š| ||
| 43 | D | 44.3 | Very low | 57.3 | Low | 150 Ų | 150 | 100.9 Ų | 100.9 | 80% | 0.802 | 57% | 0.565 | S | S | * | * | trans | -54 | 141 | 151.5 | -65.6 | -75.9 | 0 | 0 | 0 | 108.6 | ||||
| 44 | D | 41.5 | Very low | 59.1 | Low | 146 Ų | 146 | 101 Ų | 101 | 78% | 0.781 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 88.9 | 104.4 | 169.5 | -52.9 | -43.1 | 0 | 0 | 0 | 119 | ||
| 45 | K | 39.6 | Very low | 60.8 | Low | 192 Ų | 192 | 97.4 Ų | 97.4 | 84% | 0.835 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 88 | 78.9 | 150.5 | -54.9 | 171 | -173.1 | 169.6 | 0 | 117.8 | ||
| 46 | E | 45.3 | Very low | 62.5 | Low | 140 Ų | 140 | 98.9 Ų | 98.9 | 65% | 0.654 | 56% | 0.564 | S | S | * | * | trans | 174 | 64.5 | 132.5 | -95.3 | 160.8 | -175.4 | 0 | 0 | 110.8 | L48 A49 | E46-L48 PolarHBondContact O-N 3.42Å; E46-A49 PolarHBondContact O-N 2.87Å | ||
| 47 | A | 46.5 | Very low | 63.5 | Low | 96 Ų | 96 | 98.7 Ų | 98.7 | 79% | 0.793 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 16.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 48 | L | 47.6 | Very low | 64.7 | Low | 154 Ų | 154 | 101.6 Ų | 101.6 | 81% | 0.806 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -17 | 172.5 | -81.8 | 153.5 | 0 | 0 | 0 | 112.5 | E46 S50 | E46-L48 PolarHBondContact O-N 3.42Å; L48-S50 VanDerWaalsContact C-N 3.32Å; L48-S50 PolarHBondContact O-N 3.18Å |
| 49 | A | 53.1 | Low | 65.8 | Low | 42 Ų | 42 | 99.5 Ų | 99.5 | 35% | 0.347 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.7 | -11.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | E46 R53 | E46-A49 PolarHBondContact O-N 2.87Å; A49-R53 WeakPolarHBondContact O-CG 3.36Å |
| 50 | S | 56 | Low | 67.3 | Low | 73 Ų | 73 | 98.4 Ų | 98.4 | 51% | 0.51 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.8 | -12.9 | -175.2 | 60.4 | 0 | 0 | 0 | 0 | 115.1 | L48 N52 | L48-S50 VanDerWaalsContact C-N 3.32Å; L48-S50 PolarHBondContact O-N 3.18Å; S50-N52 PolarHBondContact O-N 2.89Å |
| 51 | V | 63.9 | Low | 68.9 | Low | 115 Ų | 115 | 101.8 Ų | 101.8 | 70% | 0.697 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -16.4 | -166.7 | -175.8 | 0 | 0 | 0 | 0 | 113 | ||
| 52 | N | 75.3 | Confident | 71 | Confident | 153 Ų | 153 | 103.9 Ų | 103.9 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.2 | 52.5 | -178.5 | -120.7 | 8 | 0 | 0 | 0 | 112.9 | S50 I54 | S50-N52 PolarHBondContact O-N 2.89Å; N52-I54 PolarHBondContact O-N 2.73Å |
| 53 | R | 82.8 | Confident | 73.2 | Confident | 66 Ų | 66 | 99.1 Ų | 99.1 | 25% | 0.249 | 53% | 0.528 | C | S | . | . | trans | -67.7 | 130.3 | 174.5 | -60.9 | -169.1 | -165.8 | 158.1 | 4 | 110.4 | A49 E118 D119 W120 E124 | A49-R53 WeakPolarHBondContact O-CG 3.36Å; R53-E118 VanDerWaalsContact CA-OE1 3.3Å; R53-E118 WeakPolarHBondContact CA-OE1 3.34Å; R53-E118 HydrophobicContact CG-CG 4.47Å; R53-D119 PolarHBondContact NE-O 2.79Å; R53-D119 PolarHBondContact NH2-O 2.97Å; R53-D119 VanDerWaalsContact NH2-O 3.11Å; R53-W120 HydrophobicContact CB-CH2 4.47Å; R53-W120 HydrophobicContact CB-CZ2 3.82Å; R53-W120 VanDerWaalsContact CD-CE2 3.47Å; R53-W120 VanDerWaalsContact CD-CZ2 3.42Å; R53-W120 HydrophobicContact CG-CZ2 4.27Å; R53-W120 VanDerWaalsContact NH1-CD2 3.31Å; R53-E124 IonicContact CZ-OE2 2.86Å; R53-E124 IonicContact NH1-OE2 2.77Å; R53-E124 PolarHBondContact NH1-OE2 2.87Å; R53-E124 IonicContact NH2-OE1 3.68Å; R53-E124 IonicContact NH2-OE2 3.47Å; R53-E124 PolarHBondContact NH2-OE2 2.79Å | ||
| 54 | I | 89.2 | Confident | 75.6 | Confident | 130 Ų | 130 | 94.1 Ų | 94.1 | 67% | 0.667 | 50% | 0.498 | S | S | * | . | trans | -97.8 | -21.7 | 178.6 | 61.6 | 164.4 | 0 | 0 | 0 | 112.5 | N52 L112 E118 | N52-I54 PolarHBondContact O-N 2.73Å; I54-L112 HydrophobicContact CD1-CD1 3.8Å; I54-L112 HydrophobicContact CD1-CD2 3.95Å; I54-L112 HydrophobicContact CG1-CD1 4.14Å; I54-L112 HydrophobicContact CG1-CD2 4.3Å; I54-E118 VanDerWaalsContact CG1-OE1 3.22Å; I54-E118 WeakPolarHBondContact CG1-OE1 3.35Å; I54-E118 PolarHBondContact N-OE1 2.69Å | ||
| 55 | T | 92.6 | Very high | 78.2 | Confident | 32 Ų | 32 | 90.1 Ų | 90.1 | 20% | 0.196 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -76 | 159.8 | -177 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | R110 L112 E118 W120 | T55-R110 WeakPolarHBondContact OG1-CD 3.33Å; T55-R110 PolarHBondContact OG1-NH1 3.47Å; T55-L112 HydrophobicContact CG2-CD2 3.86Å; T55-E118 VanDerWaalsContact CB-OE2 3.3Å; T55-E118 WeakPolarHBondContact CB-OE2 3.47Å; T55-E118 VanDerWaalsContact CG2-OE2 3.29Å; T55-E118 WeakPolarHBondContact CG2-OE2 3.37Å; T55-E118 PolarHBondContact N-OE2 3.44Å; T55-E118 PolarHBondContact OG1-OE2 3Å; T55-W120 WeakPolarHBondContact OG1-CZ2 3.07Å; T55-W120 PolarHBondContact OG1-NE1 2.87Å |
| 56 | S | 93 | Very high | 80.9 | Confident | 63 Ų | 63 | 86 Ų | 86 | 44% | 0.441 | 46% | 0.464 | S | S | . | . | trans | -65.5 | 136.4 | -174.1 | 176.1 | 0 | 0 | 0 | 0 | 112.6 | F58 R110 | S56-F58 PolarHBondContact O-N 3Å; S56-F58 WeakPolarHBondContact OG-CD2 3.21Å; S56-F58 PolarHBondContact OG-N 3.44Å; S56-R110 PolarHBondContact O-NH1 2.77Å | ||
| 57 | P | 93.6 | Very high | 83.3 | Confident | 67 Ų | 67 | 79.3 Ų | 79.3 | 44% | 0.435 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -71.6 | 3.8 | 175.4 | 32.4 | -37.3 | 0 | 0 | 0 | 113.8 | W120 T126 | P57-W120 HydrophobicContact CB-CH2 4.32Å; P57-W120 HydrophobicContact CB-CZ3 4.34Å; P57-T126 PolarHBondContact O-N 3.48Å |
| 58 | F | 95.5 | Very high | 85.7 | Confident | 99 Ų | 99 | 76 Ų | 76 | 43% | 0.434 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -94.1 | 137.8 | 176.3 | -64.4 | -80.1 | 0 | 0 | 0 | 111 | S56 R110 T126 T128 | S56-F58 PolarHBondContact O-N 3Å; S56-F58 WeakPolarHBondContact OG-CD2 3.21Å; S56-F58 PolarHBondContact OG-N 3.44Å; F58-R110 PolarHBondContact O-NH2 3.32Å; F58-T126 WeakPolarHBondContact CA-O 3.3Å; F58-T126 HydrophobicContact CD1-CG2 3.91Å; F58-T126 HydrophobicContact CE1-CG2 3.83Å; F58-T128 HydrophobicContact CD1-CG2 3.56Å; F58-T128 HydrophobicContact CE1-CG2 3.76Å |
| 59 | M | 95.4 | Very high | 88.1 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 6% | 0.059 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 129.9 | 171.7 | -173.7 | 172.1 | -73.5 | 0 | 0 | 109.6 | E63 R64 M99 I108 V122 L125 T126 I127 | M59-E63 HydrophobicContact CG-CB 3.81Å; M59-R64 HydrophobicContact CG-CB 4.18Å; M59-R64 HydrophobicContact SD-CB 3.77Å; M59-R64 HydrophobicContact SD-CG 4.25Å; M59-M99 HydrophobicContact SD-CE 4.21Å; M59-I108 HydrophobicContact CE-CD1 3.87Å; M59-V122 HydrophobicContact CE-CB 4.33Å; M59-V122 HydrophobicContact CE-CG1 3.95Å; M59-V122 HydrophobicContact CE-CG2 4.12Å; M59-L125 HydrophobicContact CB-CB 4.04Å; M59-L125 HydrophobicContact CB-CD1 4.39Å; M59-L125 HydrophobicContact CE-CB 4.03Å; M59-L125 HydrophobicContact CE-CD1 3.87Å; M59-T126 PolarHBondContact N-O 3.33Å; M59-I127 HydrophobicContact CB-CG1 4.11Å; M59-I127 HydrophobicContact CE-CD1 4.47Å; M59-I127 HydrophobicContact CE-CG1 4.38Å; M59-I127 HydrophobicContact SD-CD1 4.17Å; M59-I127 HydrophobicContact SD-CG1 3.96Å |
| 60 | T | 95.4 | Very high | 90.2 | Very high | 57 Ų | 57 | 70.4 Ų | 70.4 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 155.9 | 174.9 | 75.4 | 0 | 0 | 0 | 0 | 110.7 | Y62 E63 R64 | T60-Y62 PolarHBondContact O-N 3.25Å; T60-E63 PolarHBondContact N-OE2 3.45Å; T60-E63 PolarHBondContact O-N 3.2Å; T60-E63 VanDerWaalsContact OG1-CG 3.25Å; T60-E63 WeakPolarHBondContact OG1-CG 3.37Å; T60-E63 PolarHBondContact OG1-N 3.4Å; T60-E63 VanDerWaalsContact OG1-N 3.16Å; T60-E63 PolarHBondContact OG1-OE2 3.02Å; T60-R64 PolarHBondContact O-N 3.32Å |
| 61 | K | 95.4 | Very high | 92.2 | Very high | 134 Ų | 134 | 67.2 Ų | 67.2 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58 | -30 | 175.6 | 64.9 | 179.3 | -177 | 174.4 | 0 | 113.1 | A65 | K61-A65 WeakPolarHBondContact O-CB 3.4Å; K61-A65 PolarHBondContact O-N 2.92Å; K61-A65 VanDerWaalsContact O-N 3.12Å |
| 62 | Y | 95.7 | Very high | 93.8 | Very high | 155 Ų | 155 | 62.3 Ų | 62.3 | 61% | 0.608 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -74.6 | -45.3 | 179.2 | -54.4 | -66.6 | 0 | 0 | 0 | 111.4 | T60 R64 A65 R66 | T60-Y62 PolarHBondContact O-N 3.25Å; Y62-R64 VanDerWaalsContact C-N 3.32Å; Y62-R64 PolarHBondContact O-N 3.01Å; Y62-A65 PolarHBondContact O-N 3.41Å; Y62-R66 WeakPolarHBondContact O-CB 3.45Å; Y62-R66 PolarHBondContact O-N 2.98Å |
| 63 | E | 95.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.028 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 173.6 | -72.4 | 164.1 | 173.9 | 0 | 0 | 110.7 | I35 M59 T60 A65 R66 V67 I108 R110 | I35-E63 HydrophobicContact CD1-CG 4.01Å; M59-E63 HydrophobicContact CG-CB 3.81Å; T60-E63 PolarHBondContact N-OE2 3.45Å; T60-E63 PolarHBondContact O-N 3.2Å; T60-E63 VanDerWaalsContact OG1-CG 3.25Å; T60-E63 WeakPolarHBondContact OG1-CG 3.37Å; T60-E63 PolarHBondContact OG1-N 3.4Å; T60-E63 VanDerWaalsContact OG1-N 3.16Å; T60-E63 PolarHBondContact OG1-OE2 3.02Å; E63-A65 PolarHBondContact O-N 3.27Å; E63-R66 PolarHBondContact O-N 3.49Å; E63-V67 WeakPolarHBondContact O-CB 3.45Å; E63-V67 WeakPolarHBondContact O-CG2 3.33Å; E63-V67 PolarHBondContact O-N 3.42Å; E63-I108 HydrophobicContact CB-CD1 3.89Å; E63-I108 HydrophobicContact CG-CD1 4.17Å; E63-I108 HydrophobicContact CG-CG2 3.94Å; E63-R110 IonicContact OE1-CZ 3.82Å; E63-R110 IonicContact OE1-NE 2.84Å; E63-R110 PolarHBondContact OE1-NE 2.86Å; E63-R110 IonicContact OE1-NH2 3.76Å; E63-R110 PolarHBondContact OE1-NH2 2.83Å; E63-R110 IonicContact OE2-CZ 3.18Å; E63-R110 IonicContact OE2-NE 2.69Å; E63-R110 IonicContact OE2-NH2 3.96Å; E63-R110 PolarHBondContact OE2-NH2 2.92Å |
| 64 | R | 94.8 | Very high | 95.5 | Very high | 45 Ų | 45 | 60.1 Ų | 60.1 | 17% | 0.17 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.8 | -50.7 | 177.9 | -173.7 | -176.2 | 59.8 | 169.7 | -7.1 | 111.7 | M59 T60 Y62 R66 V67 L68 M99 D129 | M59-R64 HydrophobicContact CG-CB 4.18Å; M59-R64 HydrophobicContact SD-CB 3.77Å; M59-R64 HydrophobicContact SD-CG 4.25Å; T60-R64 PolarHBondContact O-N 3.32Å; Y62-R64 VanDerWaalsContact C-N 3.32Å; Y62-R64 PolarHBondContact O-N 3.01Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-R66 PolarHBondContact O-N 2.96Å; R64-V67 PolarHBondContact O-N 2.78Å; R64-L68 HydrophobicContact CG-CD1 4.19Å; R64-L68 WeakPolarHBondContact O-CB 3.4Å; R64-L68 WeakPolarHBondContact O-CG 3.49Å; R64-L68 PolarHBondContact O-N 2.91Å; R64-M99 HydrophobicContact CG-CE 4.11Å; R64-M99 HydrophobicContact CG-SD 3.63Å; R64-D129 IonicContact CZ-OD1 3.24Å; R64-D129 VanDerWaalsContact CZ-OD1 3.24Å; R64-D129 VanDerWaalsContact NH1-CB 3.32Å; R64-D129 PolarHBondContact NH1-O 3.49Å; R64-D129 IonicContact NH1-OD1 3.4Å; R64-D129 PolarHBondContact NH1-OD1 3.46Å; R64-D129 IonicContact NH2-OD1 2.78Å; R64-D129 PolarHBondContact NH2-OD1 2.98Å |
| 65 | A | 95.8 | Very high | 95.9 | Very high | 62 Ų | 62 | 54.7 Ų | 54.7 | 51% | 0.512 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K61 Y62 E63 L68 G69 | K61-A65 WeakPolarHBondContact O-CB 3.4Å; K61-A65 PolarHBondContact O-N 2.92Å; K61-A65 VanDerWaalsContact O-N 3.12Å; Y62-A65 PolarHBondContact O-N 3.41Å; E63-A65 PolarHBondContact O-N 3.27Å; A65-L68 PolarHBondContact O-N 3.18Å; A65-G69 PolarHBondContact O-N 2.87Å |
| 66 | R | 96.3 | Very high | 96.1 | Very high | 105 Ų | 105 | 56.4 Ų | 56.4 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.6 | -40.6 | -178.6 | -161.8 | 177.8 | 175 | 164.8 | -11.5 | 112.5 | I35 I37 Y62 E63 R64 G69 T70 | I35-R66 PolarHBondContact O-NH1 3.38Å; I35-R66 PolarHBondContact O-NH2 2.83Å; I37-R66 HydrophobicContact CD1-CB 4.26Å; I37-R66 HydrophobicContact CD1-CG 3.66Å; Y62-R66 WeakPolarHBondContact O-CB 3.45Å; Y62-R66 PolarHBondContact O-N 2.98Å; E63-R66 PolarHBondContact O-N 3.49Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-R66 PolarHBondContact O-N 2.96Å; R66-G69 PolarHBondContact O-N 2.79Å; R66-T70 VanDerWaalsContact O-CB 3.29Å; R66-T70 WeakPolarHBondContact O-CB 3.36Å; R66-T70 PolarHBondContact O-N 2.98Å; R66-T70 PolarHBondContact O-OG1 3.12Å |
| 67 | V | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | I37 E63 R64 R71 M99 I104 I106 I108 V122 | I37-V67 HydrophobicContact CD1-CG2 4.38Å; E63-V67 WeakPolarHBondContact O-CB 3.45Å; E63-V67 WeakPolarHBondContact O-CG2 3.33Å; E63-V67 PolarHBondContact O-N 3.42Å; R64-V67 PolarHBondContact O-N 2.78Å; V67-R71 WeakPolarHBondContact O-CB 3.43Å; V67-R71 PolarHBondContact O-N 3.36Å; V67-M99 HydrophobicContact CB-CE 3.78Å; V67-M99 HydrophobicContact CG1-CE 3.5Å; V67-I104 HydrophobicContact CG1-CD1 3.89Å; V67-I104 HydrophobicContact CG1-CG2 3.96Å; V67-I106 HydrophobicContact CG1-CD1 4.26Å; V67-I106 HydrophobicContact CG1-CG2 4.48Å; V67-I106 HydrophobicContact CG2-CG2 4.07Å; V67-I108 HydrophobicContact CG2-CD1 3.89Å; V67-I108 HydrophobicContact CG2-CG1 3.95Å; V67-V122 HydrophobicContact CG1-CG1 4.45Å; V67-V122 HydrophobicContact CG1-CG2 3.91Å; V67-V122 HydrophobicContact CG2-CG2 3.97Å |
| 68 | L | 96.7 | Very high | 96.4 | Very high | 25 Ų | 25 | 60.7 Ų | 60.7 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 175.5 | -76.7 | 171.6 | 0 | 0 | 0 | 111.8 | R64 A65 R71 A72 L92 A95 R96 M99 | R64-L68 HydrophobicContact CG-CD1 4.19Å; R64-L68 WeakPolarHBondContact O-CB 3.4Å; R64-L68 WeakPolarHBondContact O-CG 3.49Å; R64-L68 PolarHBondContact O-N 2.91Å; A65-L68 PolarHBondContact O-N 3.18Å; L68-R71 PolarHBondContact O-N 3.14Å; L68-A72 WeakPolarHBondContact O-CB 3.33Å; L68-A72 PolarHBondContact O-N 3.36Å; L68-L92 HydrophobicContact CB-CD1 4.35Å; L68-A95 HydrophobicContact CD2-CB 4.25Å; L68-R96 HydrophobicContact CD2-CB 4.27Å; L68-M99 HydrophobicContact CD1-SD 3.96Å; L68-M99 HydrophobicContact CD2-CB 3.99Å; L68-M99 HydrophobicContact CD2-CE 4.01Å; L68-M99 HydrophobicContact CD2-SD 3.72Å; L68-M99 HydrophobicContact CG-CE 3.7Å; L68-M99 HydrophobicContact CG-SD 3.65Å |
| 69 | G | 96.9 | Very high | 96.4 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A65 R66 R71 A72 L73 | A65-G69 PolarHBondContact O-N 2.87Å; R66-G69 PolarHBondContact O-N 2.79Å; G69-R71 VanDerWaalsContact C-N 3.33Å; G69-R71 PolarHBondContact O-N 2.65Å; G69-A72 PolarHBondContact O-N 3.08Å; G69-L73 WeakPolarHBondContact O-CB 3.44Å; G69-L73 PolarHBondContact O-N 3.39Å |
| 70 | T | 97.5 | Very high | 96.5 | Very high | 40 Ų | 40 | 61.6 Ų | 61.6 | 25% | 0.245 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 178 | -54.9 | 0 | 0 | 0 | 0 | 111 | I37 R66 L73 Q74 I106 | I37-T70 HydrophobicContact CD1-CG2 4.4Å; I37-T70 WeakPolarHBondContact CD1-OG1 3.35Å; I37-T70 HydrophobicContact CG2-CG2 4.12Å; R66-T70 VanDerWaalsContact O-CB 3.29Å; R66-T70 WeakPolarHBondContact O-CB 3.36Å; R66-T70 PolarHBondContact O-N 2.98Å; R66-T70 PolarHBondContact O-OG1 3.12Å; T70-L73 PolarHBondContact O-N 3.46Å; T70-Q74 WeakPolarHBondContact O-CG 3.22Å; T70-Q74 PolarHBondContact O-N 2.83Å; T70-I106 HydrophobicContact CG2-CD1 4.26Å |
| 71 | R | 97.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 2% | 0.023 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.3 | -41.1 | -179 | -173.6 | 55.2 | 176.5 | 160 | 9.6 | 112.3 | V67 L68 G69 L73 Q74 I75 P80 A95 E98 I104 I106 | V67-R71 WeakPolarHBondContact O-CB 3.43Å; V67-R71 PolarHBondContact O-N 3.36Å; L68-R71 PolarHBondContact O-N 3.14Å; G69-R71 VanDerWaalsContact C-N 3.33Å; G69-R71 PolarHBondContact O-N 2.65Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 3.48Å; R71-Q74 PolarHBondContact O-N 3.47Å; R71-I75 HydrophobicContact CG-CD1 4.03Å; R71-I75 WeakPolarHBondContact O-CG1 3.29Å; R71-I75 PolarHBondContact O-N 2.98Å; R71-P80 PolarHBondContact NH2-O 2.97Å; R71-A95 HydrophobicContact CB-CB 4.09Å; R71-A95 HydrophobicContact CG-CB 4Å; R71-E98 IonicContact CZ-OE1 3.24Å; R71-E98 IonicContact CZ-OE2 2.79Å; R71-E98 VanDerWaalsContact CZ-OE2 3.24Å; R71-E98 IonicContact NE-OE1 2.64Å; R71-E98 IonicContact NE-OE2 2.81Å; R71-E98 PolarHBondContact NE-OE2 2.65Å; R71-E98 VanDerWaalsContact NH2-CD 3.31Å; R71-E98 IonicContact NH2-OE1 3Å; R71-E98 PolarHBondContact NH2-OE1 2.74Å; R71-E98 IonicContact NH2-OE2 3.75Å; R71-E98 PolarHBondContact NH2-OE2 2.9Å; R71-I104 HydrophobicContact CB-CD1 4.32Å; R71-I104 HydrophobicContact CB-CG2 4.24Å; R71-I104 HydrophobicContact CG-CD1 4.15Å; R71-I104 HydrophobicContact CG-CG1 4.26Å; R71-I104 HydrophobicContact CG-CG2 4.03Å; R71-I106 HydrophobicContact CB-CD1 4.22Å |
| 72 | A | 97.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 11% | 0.107 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | L68 G69 I75 A76 P91 L92 A95 | L68-A72 WeakPolarHBondContact O-CB 3.33Å; L68-A72 PolarHBondContact O-N 3.36Å; G69-A72 PolarHBondContact O-N 3.08Å; A72-I75 PolarHBondContact O-N 3.25Å; A72-A76 WeakPolarHBondContact O-CB 3.36Å; A72-A76 PolarHBondContact O-N 2.95Å; A72-P91 HydrophobicContact CB-CB 4.4Å; A72-P91 WeakPolarHBondContact O-CB 3.39Å; A72-L92 HydrophobicContact CB-CB 4.29Å; A72-L92 HydrophobicContact CB-CD1 4.2Å; A72-A95 HydrophobicContact CB-CB 4.09Å |
| 73 | L | 97.7 | Very high | 96.4 | Very high | 108 Ų | 108 | 53.3 Ų | 53.3 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.1 | -46.4 | 175.1 | 178.7 | 61 | 0 | 0 | 0 | 112 | G69 T70 R71 I75 A76 M77 | G69-L73 WeakPolarHBondContact O-CB 3.44Å; G69-L73 PolarHBondContact O-N 3.39Å; T70-L73 PolarHBondContact O-N 3.46Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 3.48Å; L73-I75 VanDerWaalsContact C-N 3.33Å; L73-I75 PolarHBondContact O-N 3.43Å; L73-A76 WeakPolarHBondContact O-CB 3.17Å; L73-A76 PolarHBondContact O-N 3.35Å; L73-M77 HydrophobicContact CD1-CG 4.4Å; L73-M77 HydrophobicContact CD1-SD 4.27Å; L73-M77 HydrophobicContact CG-SD 4.22Å; L73-M77 WeakPolarHBondContact O-CG 3.19Å; L73-M77 PolarHBondContact O-N 3.12Å |
| 74 | Q | 97.9 | Very high | 96.2 | Very high | 65 Ų | 65 | 61.2 Ų | 61.2 | 30% | 0.304 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58 | -44.9 | 176.6 | -71.8 | 172.4 | -0.8 | 0 | 0 | 111.9 | T70 R71 A76 M77 G78 A79 | T70-Q74 WeakPolarHBondContact O-CG 3.22Å; T70-Q74 PolarHBondContact O-N 2.83Å; R71-Q74 PolarHBondContact O-N 3.47Å; Q74-A76 VanDerWaalsContact C-N 3.34Å; Q74-M77 CarbonylContact O-C 3.56Å; Q74-M77 PolarHBondContact O-N 3.47Å; Q74-G78 PolarHBondContact O-N 3Å; Q74-A79 HydrophobicContact CB-CB 3.93Å; Q74-A79 WeakPolarHBondContact O-CB 3.45Å; Q74-A79 PolarHBondContact O-N 2.64Å |
| 75 | I | 97.2 | Very high | 96 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.082 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 177.4 | -67.8 | 162.1 | 0 | 0 | 0 | 110.4 | R71 A72 L73 M77 G78 I81 P91 I94 A95 | R71-I75 HydrophobicContact CG-CD1 4.03Å; R71-I75 WeakPolarHBondContact O-CG1 3.29Å; R71-I75 PolarHBondContact O-N 2.98Å; A72-I75 PolarHBondContact O-N 3.25Å; L73-I75 VanDerWaalsContact C-N 3.33Å; L73-I75 PolarHBondContact O-N 3.43Å; I75-M77 PolarHBondContact O-N 2.78Å; I75-G78 PolarHBondContact O-N 2.81Å; I75-I81 HydrophobicContact CG1-CG1 4.48Å; I75-I81 HydrophobicContact CG2-CD1 4.29Å; I75-I81 HydrophobicContact CG2-CG1 4.36Å; I75-P91 HydrophobicContact CB-CB 4.27Å; I75-P91 HydrophobicContact CG2-CB 4.06Å; I75-I94 HydrophobicContact CD1-CB 4.12Å; I75-I94 HydrophobicContact CD1-CG2 3.74Å; I75-I94 HydrophobicContact CG2-CD1 4.15Å; I75-I94 HydrophobicContact CG2-CG2 4.42Å; I75-A95 HydrophobicContact CD1-CB 4.04Å |
| 76 | A | 97 | Very high | 95.6 | Very high | 68 Ų | 68 | 68 Ų | 68 | 56% | 0.562 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.3 | -32 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A72 L73 Q74 G78 P91 | A72-A76 WeakPolarHBondContact O-CB 3.36Å; A72-A76 PolarHBondContact O-N 2.95Å; L73-A76 WeakPolarHBondContact O-CB 3.17Å; L73-A76 PolarHBondContact O-N 3.35Å; Q74-A76 VanDerWaalsContact C-N 3.34Å; A76-G78 PolarHBondContact O-N 2.87Å; A76-P91 HydrophobicContact CB-CB 4.22Å; A76-P91 HydrophobicContact CB-CG 3.96Å |
| 77 | M | 97.3 | Very high | 95.2 | Very high | 152 Ų | 152 | 67.2 Ų | 67.2 | 75% | 0.749 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 8.5 | 174.2 | -62.6 | 178.2 | 82.5 | 0 | 0 | 113.8 | L73 Q74 I75 | L73-M77 HydrophobicContact CD1-CG 4.4Å; L73-M77 HydrophobicContact CD1-SD 4.27Å; L73-M77 HydrophobicContact CG-SD 4.22Å; L73-M77 WeakPolarHBondContact O-CG 3.19Å; L73-M77 PolarHBondContact O-N 3.12Å; Q74-M77 CarbonylContact O-C 3.56Å; Q74-M77 PolarHBondContact O-N 3.47Å; I75-M77 PolarHBondContact O-N 2.78Å |
| 78 | G | 94.6 | Very high | 94.9 | Very high | 68 Ų | 68 | 69.8 Ų | 69.8 | 70% | 0.701 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 20.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q74 I75 A76 | Q74-G78 PolarHBondContact O-N 3Å; I75-G78 PolarHBondContact O-N 2.81Å; A76-G78 PolarHBondContact O-N 2.87Å |
| 79 | A | 96.5 | Very high | 94.6 | Very high | 30 Ų | 30 | 75 Ų | 75 | 25% | 0.248 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 150.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q74 I81 | Q74-A79 HydrophobicContact CB-CB 3.93Å; Q74-A79 WeakPolarHBondContact O-CB 3.45Å; Q74-A79 PolarHBondContact O-N 2.64Å; A79-I81 PolarHBondContact O-N 3.17Å |
| 80 | P | 96.2 | Very high | 94.6 | Very high | 99 Ų | 99 | 76.5 Ų | 76.5 | 64% | 0.643 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -61 | 136.4 | 178.4 | -23.2 | 33.8 | 0 | 0 | 0 | 113 | R71 | R71-P80 PolarHBondContact NH2-O 2.97Š|
| 81 | I | 95.6 | Very high | 94.6 | Very high | 61 Ų | 61 | 76.3 Ų | 76.3 | 31% | 0.313 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 136.5 | 179.3 | -57.2 | 168.2 | 0 | 0 | 0 | 109.3 | I75 A79 V83 L85 I94 E98 | I75-I81 HydrophobicContact CG1-CG1 4.48Å; I75-I81 HydrophobicContact CG2-CD1 4.29Å; I75-I81 HydrophobicContact CG2-CG1 4.36Å; A79-I81 PolarHBondContact O-N 3.17Å; I81-V83 HydrophobicContact CG2-CG2 3.98Å; I81-V83 WeakPolarHBondContact CG2-O 3.26Å; I81-L85 HydrophobicContact CD1-CD1 3.52Å; I81-L85 HydrophobicContact CD1-CD2 4.19Å; I81-L85 HydrophobicContact CD1-CG 4.21Å; I81-L85 HydrophobicContact CG2-CD2 4.12Å; I81-L85 HydrophobicContact CG2-CG 4.42Å; I81-I94 HydrophobicContact CD1-CD1 4.32Å; I81-I94 HydrophobicContact CD1-CG2 4.17Å; I81-I94 HydrophobicContact CG1-CG2 4.32Å; I81-I94 HydrophobicContact CG2-CG2 3.71Å; I81-E98 WeakPolarHBondContact CA-OE1 3.43Å; I81-E98 WeakPolarHBondContact CG2-OE1 3.25Å |
| 82 | M | 94.5 | Very high | 94.5 | Very high | 85 Ų | 85 | 79.4 Ų | 79.4 | 42% | 0.419 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -100.3 | 1.1 | -172.7 | -61.2 | -59.4 | -174 | 0 | 0 | 114.2 | E98 R103 P105 | M82-E98 PolarHBondContact N-OE1 3.5Å; M82-R103 HydrophobicContact CB-CB 3.98Å; M82-P105 HydrophobicContact CE-CG 4.15Å |
| 83 | V | 93.7 | Very high | 94.4 | Very high | 27 Ų | 27 | 82.4 Ų | 82.4 | 16% | 0.164 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -127.4 | 159.7 | 177.4 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | I81 K97 E98 A101 R103 | I81-V83 HydrophobicContact CG2-CG2 3.98Å; I81-V83 WeakPolarHBondContact CG2-O 3.26Å; V83-K97 HydrophobicContact CG2-CB 4.38Å; V83-K97 HydrophobicContact CG2-CD 4.38Å; V83-K97 HydrophobicContact CG2-CG 4.21Å; V83-E98 HydrophobicContact CB-CG 4.25Å; V83-E98 HydrophobicContact CG1-CB 4.38Å; V83-E98 HydrophobicContact CG1-CG 3.9Å; V83-E98 HydrophobicContact CG2-CG 3.49Å; V83-E98 VanDerWaalsContact CG2-CG 3.49Å; V83-A101 HydrophobicContact CG1-CB 3.71Å; V83-R103 HydrophobicContact CG1-CB 4.29Å; V83-R103 HydrophobicContact CG1-CG 4.42Å |
| 84 | E | 92.9 | Very high | 94.4 | Very high | 171 Ų | 171 | 77.6 Ų | 77.6 | 80% | 0.799 | 45% | 0.447 | S | S | * | . | trans | -73.1 | 128.6 | 174.9 | -65.4 | 177.8 | -177.8 | 0 | 0 | 110.6 | K97 | E84-K97 WeakPolarHBondContact O-CE 3.46Å; E84-K97 PolarHBondContact O-NZ 2.95Å | ||
| 85 | L | 90.2 | Very high | 94.3 | Very high | 87 Ų | 87 | 74.5 Ų | 74.5 | 46% | 0.455 | 43% | 0.432 | S | S | . | . | trans | -86.1 | 131.8 | 174.4 | -61.5 | 178.1 | 0 | 0 | 0 | 109.4 | I81 I94 | I81-L85 HydrophobicContact CD1-CD1 3.52Å; I81-L85 HydrophobicContact CD1-CD2 4.19Å; I81-L85 HydrophobicContact CD1-CG 4.21Å; I81-L85 HydrophobicContact CG2-CD2 4.12Å; I81-L85 HydrophobicContact CG2-CG 4.42Å; L85-I94 HydrophobicContact CD2-CB 4.39Å; L85-I94 HydrophobicContact CD2-CD1 3.93Å; L85-I94 HydrophobicContact CD2-CG1 3.74Å; L85-I94 HydrophobicContact CD2-CG2 3.79Å | ||
| 86 | E | 87.8 | Confident | 94.2 | Very high | 162 Ų | 162 | 76.6 Ų | 76.6 | 76% | 0.757 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -102.7 | -60.7 | 175.4 | -73.7 | 167.2 | -129.2 | 0 | 0 | 110.2 | E88 K97 | E86-E88 PolarHBondContact N-OE2 3.5Å; E86-K97 IonicContact OE1-NZ 2.89Å; E86-K97 PolarHBondContact OE1-NZ 3.04Å |
| 87 | A | 87.5 | Confident | 94.1 | Very high | 89 Ų | 89 | 75.4 Ų | 75.4 | 74% | 0.736 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -147.5 | 5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T89 | A87-T89 PolarHBondContact O-N 3.35Š|
| 88 | E | 89.8 | Confident | 94 | Very high | 54 Ų | 54 | 68.2 Ų | 68.2 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | trans | -77.8 | 116.9 | -176.8 | -56.2 | 86.1 | 165.7 | 0 | 0 | 110.2 | E86 E93 I94 K97 | E86-E88 PolarHBondContact N-OE2 3.5Å; E88-E93 HydrophobicContact CB-CB 4.5Å; E88-I94 HydrophobicContact CB-CG1 3.87Å; E88-K97 IonicContact OE1-NZ 2.87Å; E88-K97 PolarHBondContact OE1-NZ 2.9Å; E88-K97 IonicContact OE2-NZ 3.42Å; E88-K97 PolarHBondContact OE2-NZ 2.95Å | ||
| 89 | T | 91.6 | Very high | 94 | Very high | 134 Ų | 134 | 65 Ų | 65 | 82% | 0.822 | 35% | 0.353 | S | S | * | . | trans | -103 | -24 | 173.8 | 53 | 0 | 0 | 0 | 0 | 112.5 | A87 | A87-T89 PolarHBondContact O-N 3.35Š| ||
| 90 | D | 96 | Very high | 93.8 | Very high | 72 Ų | 72 | 70.2 Ų | 70.2 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -75.3 | 124.2 | -179.5 | 174.8 | 48.9 | 0 | 0 | 0 | 111.3 | L92 E93 I94 | D90-L92 PolarHBondContact O-N 3.39Å; D90-L92 WeakPolarHBondContact OD2-CB 3.5Å; D90-L92 PolarHBondContact OD2-N 3.27Å; D90-E93 HydrophobicContact CB-CB 4.2Å; D90-E93 HydrophobicContact CB-CG 4.07Å; D90-E93 PolarHBondContact O-N 2.76Å; D90-E93 WeakPolarHBondContact OD2-CG 3.41Å; D90-E93 PolarHBondContact OD2-N 2.98Å; D90-I94 VanDerWaalsContact O-CG1 3.31Å; D90-I94 WeakPolarHBondContact O-CG1 3.37Å; D90-I94 PolarHBondContact O-N 3.39Å |
| 91 | P | 96.7 | Very high | 93.7 | Very high | 35 Ų | 35 | 68 Ų | 68 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.6 | -32.9 | 179.9 | -26.2 | 34.8 | 0 | 0 | 0 | 114 | A72 I75 A76 I94 A95 | A72-P91 HydrophobicContact CB-CB 4.4Å; A72-P91 WeakPolarHBondContact O-CB 3.39Å; I75-P91 HydrophobicContact CB-CB 4.27Å; I75-P91 HydrophobicContact CG2-CB 4.06Å; A76-P91 HydrophobicContact CB-CB 4.22Å; A76-P91 HydrophobicContact CB-CG 3.96Å; P91-I94 PolarHBondContact O-N 2.98Å; P91-A95 WeakPolarHBondContact O-CB 3.37Å; P91-A95 PolarHBondContact O-N 3.08Å |
| 92 | L | 96.4 | Very high | 93.6 | Very high | 71 Ų | 71 | 69.2 Ų | 69.2 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -72.8 | -42.6 | 179.8 | 179.6 | 65.5 | 0 | 0 | 0 | 111.6 | L68 A72 D90 I94 A95 R96 | L68-L92 HydrophobicContact CB-CD1 4.35Å; A72-L92 HydrophobicContact CB-CB 4.29Å; A72-L92 HydrophobicContact CB-CD1 4.2Å; D90-L92 PolarHBondContact O-N 3.39Å; D90-L92 WeakPolarHBondContact OD2-CB 3.5Å; D90-L92 PolarHBondContact OD2-N 3.27Å; L92-I94 VanDerWaalsContact C-N 3.31Å; L92-I94 PolarHBondContact O-N 2.93Å; L92-A95 PolarHBondContact O-N 2.65Å; L92-R96 WeakPolarHBondContact O-CB 3.34Å; L92-R96 PolarHBondContact O-N 2.96Å |
| 93 | E | 95.5 | Very high | 93.5 | Very high | 76 Ų | 76 | 72.5 Ų | 72.5 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59 | -42.4 | 171.3 | -69.1 | -54.1 | 133.4 | 0 | 0 | 111.9 | E88 D90 R96 K97 | E88-E93 HydrophobicContact CB-CB 4.5Å; D90-E93 HydrophobicContact CB-CB 4.2Å; D90-E93 HydrophobicContact CB-CG 4.07Å; D90-E93 PolarHBondContact O-N 2.76Å; D90-E93 WeakPolarHBondContact OD2-CG 3.41Å; D90-E93 PolarHBondContact OD2-N 2.98Å; E93-R96 PolarHBondContact O-N 2.83Å; E93-R96 IonicContact OE1-CZ 3.26Å; E93-R96 VanDerWaalsContact OE1-CZ 3.26Å; E93-R96 IonicContact OE1-NH1 2.61Å; E93-R96 PolarHBondContact OE1-NH1 2.82Å; E93-R96 IonicContact OE1-NH2 3.16Å; E93-R96 PolarHBondContact OE1-NH2 3.27Å; E93-R96 VanDerWaalsContact OE1-NH2 3.16Å; E93-R96 IonicContact OE2-CZ 3.76Å; E93-R96 IonicContact OE2-NH1 2.79Å; E93-R96 PolarHBondContact OE2-NH1 2.84Å; E93-K97 PolarHBondContact O-N 3.25Å |
| 94 | I | 96.5 | Very high | 93.6 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.036 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 176.6 | -60.7 | 167.1 | 0 | 0 | 0 | 110.5 | I75 I81 L85 E88 D90 P91 L92 R96 K97 E98 | I75-I94 HydrophobicContact CD1-CB 4.12Å; I75-I94 HydrophobicContact CD1-CG2 3.74Å; I75-I94 HydrophobicContact CG2-CD1 4.15Å; I75-I94 HydrophobicContact CG2-CG2 4.42Å; I81-I94 HydrophobicContact CD1-CD1 4.32Å; I81-I94 HydrophobicContact CD1-CG2 4.17Å; I81-I94 HydrophobicContact CG1-CG2 4.32Å; I81-I94 HydrophobicContact CG2-CG2 3.71Å; L85-I94 HydrophobicContact CD2-CB 4.39Å; L85-I94 HydrophobicContact CD2-CD1 3.93Å; L85-I94 HydrophobicContact CD2-CG1 3.74Å; L85-I94 HydrophobicContact CD2-CG2 3.79Å; E88-I94 HydrophobicContact CB-CG1 3.87Å; D90-I94 VanDerWaalsContact O-CG1 3.31Å; D90-I94 WeakPolarHBondContact O-CG1 3.37Å; D90-I94 PolarHBondContact O-N 3.39Å; P91-I94 PolarHBondContact O-N 2.98Å; L92-I94 VanDerWaalsContact C-N 3.31Å; L92-I94 PolarHBondContact O-N 2.93Å; I94-R96 VanDerWaalsContact C-N 3.28Å; I94-R96 PolarHBondContact O-N 2.91Å; I94-K97 WeakPolarHBondContact O-CB 3.48Å; I94-K97 PolarHBondContact O-N 2.89Å; I94-K97 VanDerWaalsContact O-N 3.14Å; I94-E98 PolarHBondContact O-N 2.96Å |
| 95 | A | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60 | -38.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L68 R71 A72 I75 P91 L92 E98 M99 | L68-A95 HydrophobicContact CD2-CB 4.25Å; R71-A95 HydrophobicContact CB-CB 4.09Å; R71-A95 HydrophobicContact CG-CB 4Å; A72-A95 HydrophobicContact CB-CB 4.09Å; I75-A95 HydrophobicContact CD1-CB 4.04Å; P91-A95 WeakPolarHBondContact O-CB 3.37Å; P91-A95 PolarHBondContact O-N 3.08Å; L92-A95 PolarHBondContact O-N 2.65Å; A95-E98 PolarHBondContact O-N 3.01Å; A95-M99 WeakPolarHBondContact O-CB 3.41Å; A95-M99 PolarHBondContact O-N 3.16Å |
| 96 | R | 94.8 | Very high | 94 | Very high | 61 Ų | 61 | 61.1 Ų | 61.1 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 175.8 | -161.6 | -176.3 | -57.4 | 134.3 | 3.3 | 111.8 | L68 L92 E93 I94 M99 R100 | L68-R96 HydrophobicContact CD2-CB 4.27Å; L92-R96 WeakPolarHBondContact O-CB 3.34Å; L92-R96 PolarHBondContact O-N 2.96Å; E93-R96 PolarHBondContact O-N 2.83Å; E93-R96 IonicContact OE1-CZ 3.26Å; E93-R96 VanDerWaalsContact OE1-CZ 3.26Å; E93-R96 IonicContact OE1-NH1 2.61Å; E93-R96 PolarHBondContact OE1-NH1 2.82Å; E93-R96 IonicContact OE1-NH2 3.16Å; E93-R96 PolarHBondContact OE1-NH2 3.27Å; E93-R96 VanDerWaalsContact OE1-NH2 3.16Å; E93-R96 IonicContact OE2-CZ 3.76Å; E93-R96 IonicContact OE2-NH1 2.79Å; E93-R96 PolarHBondContact OE2-NH1 2.84Å; I94-R96 VanDerWaalsContact C-N 3.28Å; I94-R96 PolarHBondContact O-N 2.91Å; R96-M99 PolarHBondContact O-N 2.99Å; R96-R100 WeakPolarHBondContact O-CG 3.24Å; R96-R100 PolarHBondContact O-N 3.38Å |
| 97 | K | 94.7 | Very high | 94.3 | Very high | 43 Ų | 43 | 55.5 Ų | 55.5 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 174.1 | -165.1 | 173.2 | -170.8 | 171.9 | 0 | 111.1 | V83 E84 E86 E88 E93 I94 M99 R100 A101 | V83-K97 HydrophobicContact CG2-CB 4.38Å; V83-K97 HydrophobicContact CG2-CD 4.38Å; V83-K97 HydrophobicContact CG2-CG 4.21Å; E84-K97 WeakPolarHBondContact O-CE 3.46Å; E84-K97 PolarHBondContact O-NZ 2.95Å; E86-K97 IonicContact OE1-NZ 2.89Å; E86-K97 PolarHBondContact OE1-NZ 3.04Å; E88-K97 IonicContact OE1-NZ 2.87Å; E88-K97 PolarHBondContact OE1-NZ 2.9Å; E88-K97 IonicContact OE2-NZ 3.42Å; E88-K97 PolarHBondContact OE2-NZ 2.95Å; E93-K97 PolarHBondContact O-N 3.25Å; I94-K97 WeakPolarHBondContact O-CB 3.48Å; I94-K97 PolarHBondContact O-N 2.89Å; I94-K97 VanDerWaalsContact O-N 3.14Å; K97-M99 PolarHBondContact O-N 2.94Å; K97-R100 PolarHBondContact O-N 2.94Å; K97-A101 PolarHBondContact O-N 3.43Å; K97-A101 VanDerWaalsContact O-N 3.08Å |
| 98 | E | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -39.8 | 173.6 | -72.4 | -167.2 | 172.5 | 0 | 0 | 113.3 | R71 I81 M82 V83 I94 A95 A101 Q102 R103 I104 | R71-E98 IonicContact CZ-OE1 3.24Å; R71-E98 IonicContact CZ-OE2 2.79Å; R71-E98 VanDerWaalsContact CZ-OE2 3.24Å; R71-E98 IonicContact NE-OE1 2.64Å; R71-E98 IonicContact NE-OE2 2.81Å; R71-E98 PolarHBondContact NE-OE2 2.65Å; R71-E98 VanDerWaalsContact NH2-CD 3.31Å; R71-E98 IonicContact NH2-OE1 3Å; R71-E98 PolarHBondContact NH2-OE1 2.74Å; R71-E98 IonicContact NH2-OE2 3.75Å; R71-E98 PolarHBondContact NH2-OE2 2.9Å; I81-E98 WeakPolarHBondContact CA-OE1 3.43Å; I81-E98 WeakPolarHBondContact CG2-OE1 3.25Å; M82-E98 PolarHBondContact N-OE1 3.5Å; V83-E98 HydrophobicContact CB-CG 4.25Å; V83-E98 HydrophobicContact CG1-CB 4.38Å; V83-E98 HydrophobicContact CG1-CG 3.9Å; V83-E98 HydrophobicContact CG2-CG 3.49Å; V83-E98 VanDerWaalsContact CG2-CG 3.49Å; I94-E98 PolarHBondContact O-N 2.96Å; A95-E98 PolarHBondContact O-N 3.01Å; E98-A101 CarbonylContact O-C 3.59Å; E98-A101 PolarHBondContact O-N 2.93Å; E98-Q102 PolarHBondContact O-N 2.83Å; E98-Q102 VanDerWaalsContact O-N 3.08Å; E98-R103 PolarHBondContact O-N 3.22Å; E98-I104 HydrophobicContact CB-CD1 4.39Å; E98-I104 HydrophobicContact CB-CG1 3.69Å |
| 99 | M | 94.8 | Very high | 95 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 177.2 | -172.9 | 168.9 | -92.2 | 0 | 0 | 111.3 | M59 R64 V67 L68 A95 R96 K97 A101 Q102 I104 I127 W130 | M59-M99 HydrophobicContact SD-CE 4.21Å; R64-M99 HydrophobicContact CG-CE 4.11Å; R64-M99 HydrophobicContact CG-SD 3.63Å; V67-M99 HydrophobicContact CB-CE 3.78Å; V67-M99 HydrophobicContact CG1-CE 3.5Å; L68-M99 HydrophobicContact CD1-SD 3.96Å; L68-M99 HydrophobicContact CD2-CB 3.99Å; L68-M99 HydrophobicContact CD2-CE 4.01Å; L68-M99 HydrophobicContact CD2-SD 3.72Å; L68-M99 HydrophobicContact CG-CE 3.7Å; L68-M99 HydrophobicContact CG-SD 3.65Å; A95-M99 WeakPolarHBondContact O-CB 3.41Å; A95-M99 PolarHBondContact O-N 3.16Å; R96-M99 PolarHBondContact O-N 2.99Å; K97-M99 PolarHBondContact O-N 2.94Å; M99-A101 VanDerWaalsContact C-N 3.26Å; M99-A101 PolarHBondContact O-N 2.93Å; M99-Q102 PolarHBondContact O-N 2.78Å; M99-I104 HydrophobicContact CB-CD1 3.62Å; M99-I104 HydrophobicContact CB-CG1 4.48Å; M99-I104 HydrophobicContact CE-CD1 4.07Å; M99-I104 HydrophobicContact CG-CD1 4.25Å; M99-I127 HydrophobicContact CG-CD1 3.52Å; M99-I127 HydrophobicContact SD-CD1 3.98Å; M99-W130 HydrophobicContact CB-CZ3 4.38Å; M99-W130 HydrophobicContact CG-CH2 3.99Å; M99-W130 HydrophobicContact CG-CZ3 4Å; M99-W130 HydrophobicContact SD-CZ3 4.45Å |
| 100 | R | 93.3 | Very high | 95.1 | Very high | 139 Ų | 139 | 45.3 Ų | 45.3 | 53% | 0.525 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.9 | -34.2 | 175.1 | -76 | -179.7 | -177.5 | 138.2 | 0.3 | 112.8 | R96 K97 Q102 W130 | R96-R100 WeakPolarHBondContact O-CG 3.24Å; R96-R100 PolarHBondContact O-N 3.38Å; K97-R100 PolarHBondContact O-N 2.94Å; R100-Q102 VanDerWaalsContact C-N 3.25Å; R100-W130 HydrophobicContact CB-CH2 4.18Å; R100-W130 HydrophobicContact CB-CZ3 4.24Å; R100-W130 HydrophobicContact CG-CD2 4.43Å; R100-W130 HydrophobicContact CG-CE3 3.72Å; R100-W130 HydrophobicContact CG-CH2 3.64Å; R100-W130 HydrophobicContact CG-CZ2 4.34Å; R100-W130 HydrophobicContact CG-CZ3 3.28Å |
| 101 | A | 93.6 | Very high | 95 | Very high | 52 Ų | 52 | 45 Ų | 45 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -6.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V83 K97 E98 M99 R103 | V83-A101 HydrophobicContact CG1-CB 3.71Å; K97-A101 PolarHBondContact O-N 3.43Å; K97-A101 VanDerWaalsContact O-N 3.08Å; E98-A101 CarbonylContact O-C 3.59Å; E98-A101 PolarHBondContact O-N 2.93Å; M99-A101 VanDerWaalsContact C-N 3.26Å; M99-A101 PolarHBondContact O-N 2.93Å; A101-R103 VanDerWaalsContact C-N 3.27Å; A101-R103 HydrophobicContact CB-CB 4.34Å; A101-R103 HydrophobicContact CB-CG 3.79Å; A101-R103 WeakPolarHBondContact O-CG 3.49Å; A101-R103 PolarHBondContact O-N 2.93Å |
| 102 | Q | 92.6 | Very high | 94.8 | Very high | 87 Ų | 87 | 44.8 Ų | 44.8 | 41% | 0.407 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 42.2 | -170.7 | -65 | -173.7 | -88.5 | 0 | 0 | 112.7 | E98 M99 R100 D123 L125 | E98-Q102 PolarHBondContact O-N 2.83Å; E98-Q102 VanDerWaalsContact O-N 3.08Å; M99-Q102 PolarHBondContact O-N 2.78Å; R100-Q102 VanDerWaalsContact C-N 3.25Å; Q102-D123 PolarHBondContact NE2-O 3.16Å; Q102-L125 PolarHBondContact NE2-O 2.72Å |
| 103 | R | 94.3 | Very high | 94.7 | Very high | 155 Ų | 155 | 48.1 Ų | 48.1 | 59% | 0.585 | 23% | 0.23 | S | C | * | . | trans | -112.2 | 9.2 | -176.5 | -64.6 | -73.6 | -86.2 | -178.9 | -6.8 | 113.9 | M82 V83 E98 A101 P105 | M82-R103 HydrophobicContact CB-CB 3.98Å; V83-R103 HydrophobicContact CG1-CB 4.29Å; V83-R103 HydrophobicContact CG1-CG 4.42Å; E98-R103 PolarHBondContact O-N 3.22Å; A101-R103 VanDerWaalsContact C-N 3.27Å; A101-R103 HydrophobicContact CB-CB 4.34Å; A101-R103 HydrophobicContact CB-CG 3.79Å; A101-R103 WeakPolarHBondContact O-CG 3.49Å; A101-R103 PolarHBondContact O-N 2.93Å; R103-P105 WeakPolarHBondContact O-CD 3.46Å | ||
| 104 | I | 95.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | -73.5 | 120.8 | 179 | -61.3 | -175.5 | 0 | 0 | 0 | 109.2 | V67 R71 E98 M99 I106 V122 | V67-I104 HydrophobicContact CG1-CD1 3.89Å; V67-I104 HydrophobicContact CG1-CG2 3.96Å; R71-I104 HydrophobicContact CB-CD1 4.32Å; R71-I104 HydrophobicContact CB-CG2 4.24Å; R71-I104 HydrophobicContact CG-CD1 4.15Å; R71-I104 HydrophobicContact CG-CG1 4.26Å; R71-I104 HydrophobicContact CG-CG2 4.03Å; E98-I104 HydrophobicContact CB-CD1 4.39Å; E98-I104 HydrophobicContact CB-CG1 3.69Å; M99-I104 HydrophobicContact CB-CD1 3.62Å; M99-I104 HydrophobicContact CB-CG1 4.48Å; M99-I104 HydrophobicContact CE-CD1 4.07Å; M99-I104 HydrophobicContact CG-CD1 4.25Å; I104-I106 HydrophobicContact CG2-CB 3.81Å; I104-I106 HydrophobicContact CG2-CD1 3.63Å; I104-I106 HydrophobicContact CG2-CG1 3.75Å; I104-I106 PolarHBondContact O-N 3.06Å; I104-V122 HydrophobicContact CB-CG1 4.11Å | ||
| 105 | P | 95.2 | Very high | 94.2 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | trans | -82.2 | 57 | -178.5 | 35.5 | -36.5 | 0 | 0 | 0 | 111.9 | M82 R103 | M82-P105 HydrophobicContact CE-CG 4.15Å; R103-P105 WeakPolarHBondContact O-CD 3.46Å | ||
| 106 | I | 95.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137 | -178.7 | -74.4 | 173 | 0 | 0 | 0 | 109.5 | I37 V67 T70 R71 I104 V122 | I37-I106 HydrophobicContact CB-CG2 4.3Å; I37-I106 HydrophobicContact CG1-CG2 4.17Å; I37-I106 HydrophobicContact CG2-CB 4.33Å; I37-I106 HydrophobicContact CG2-CD1 4.12Å; I37-I106 HydrophobicContact CG2-CG1 4.05Å; I37-I106 HydrophobicContact CG2-CG2 3.47Å; I37-I106 VanDerWaalsContact CG2-CG2 3.47Å; V67-I106 HydrophobicContact CG1-CD1 4.26Å; V67-I106 HydrophobicContact CG1-CG2 4.48Å; V67-I106 HydrophobicContact CG2-CG2 4.07Å; T70-I106 HydrophobicContact CG2-CD1 4.26Å; R71-I106 HydrophobicContact CB-CD1 4.22Å; I104-I106 HydrophobicContact CG2-CB 3.81Å; I104-I106 HydrophobicContact CG2-CD1 3.63Å; I104-I106 HydrophobicContact CG2-CG1 3.75Å; I104-I106 PolarHBondContact O-N 3.06Å; I106-V122 HydrophobicContact CB-CG2 4.11Å; I106-V122 HydrophobicContact CG2-CG2 3.98Å; I106-V122 VanDerWaalsContact O-CG2 3.24Å; I106-V122 WeakPolarHBondContact O-CG2 3.41Å; I106-V122 PolarHBondContact O-N 2.67Å; I106-V122 VanDerWaalsContact O-N 3.16Å |
| 107 | I | 95.4 | Very high | 93.9 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 23% | 0.226 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135 | 168.8 | -61.7 | 172.2 | 0 | 0 | 0 | 108.5 | I37 L38 D119 W120 | I37-I107 WeakPolarHBondContact CA-O 3.45Å; L38-I107 HydrophobicContact CB-CB 4.36Å; L38-I107 PolarHBondContact N-O 3.33Å; L38-I107 PolarHBondContact O-N 3.47Å; I107-D119 HydrophobicContact CG2-CB 3.86Å; I107-W120 CarbonylContact C-O 3.49Å; I107-W120 WeakPolarHBondContact CA-O 3.42Å |
| 108 | I | 95.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 118.6 | 172 | -66.2 | 159.4 | 0 | 0 | 0 | 108.1 | I35 M59 E63 V67 R110 W120 V122 L125 | I35-I108 HydrophobicContact CG2-CG2 4.16Å; M59-I108 HydrophobicContact CE-CD1 3.87Å; E63-I108 HydrophobicContact CB-CD1 3.89Å; E63-I108 HydrophobicContact CG-CD1 4.17Å; E63-I108 HydrophobicContact CG-CG2 3.94Å; V67-I108 HydrophobicContact CG2-CD1 3.89Å; V67-I108 HydrophobicContact CG2-CG1 3.95Å; I108-R110 HydrophobicContact CG2-CG 4.11Å; I108-W120 PolarHBondContact N-O 2.7Å; I108-W120 PolarHBondContact O-N 3.45Å; I108-V122 HydrophobicContact CD1-CG2 3.96Å; I108-V122 HydrophobicContact CG1-CG2 4.27Å; I108-L125 HydrophobicContact CD1-CD1 3.51Å |
| 109 | R | 95.3 | Very high | 93.8 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 117.5 | 169 | 178.6 | 165.6 | -72.4 | 179.3 | -5.2 | 110 | I35 D36 Y111 Y117 D119 | I35-R109 WeakPolarHBondContact CA-O 3.46Å; D36-R109 HydrophobicContact CB-CB 4.16Å; D36-R109 PolarHBondContact N-O 2.79Å; D36-R109 PolarHBondContact O-N 2.61Å; R109-Y111 HydrophobicContact CB-CE2 4.39Å; R109-Y111 VanDerWaalsContact CD-OH 3.27Å; R109-Y111 WeakPolarHBondContact CD-OH 3.15Å; R109-Y111 HydrophobicContact CG-CD2 4.23Å; R109-Y111 HydrophobicContact CG-CE1 4.49Å; R109-Y111 HydrophobicContact CG-CE2 3.71Å; R109-Y117 HydrophobicContact CG-CD2 3.93Å; R109-Y117 HydrophobicContact CG-CG 3.89Å; R109-Y117 VanDerWaalsContact NE-CD2 3.31Å; R109-Y117 VanDerWaalsContact NH2-CE2 3.32Å; R109-D119 WeakPolarHBondContact CB-OD1 3.42Å; R109-D119 WeakPolarHBondContact CG-OD1 3.27Å; R109-D119 IonicContact CZ-OD1 3.37Å; R109-D119 IonicContact CZ-OD2 3.82Å; R109-D119 IonicContact NE-OD1 3.56Å; R109-D119 PolarHBondContact NE-OD1 3.01Å; R109-D119 IonicContact NE-OD2 3.72Å; R109-D119 IonicContact NH2-OD1 2.7Å; R109-D119 PolarHBondContact NH2-OD1 3.32Å; R109-D119 IonicContact NH2-OD2 3.22Å; R109-D119 PolarHBondContact NH2-OD2 3.03Å |
| 110 | R | 95.1 | Very high | 93.8 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 116.8 | 175.7 | -67.7 | 177.9 | 172.6 | 168.5 | -4.5 | 110 | T55 S56 F58 E63 I108 Y117 E118 | T55-R110 WeakPolarHBondContact OG1-CD 3.33Å; T55-R110 PolarHBondContact OG1-NH1 3.47Å; S56-R110 PolarHBondContact O-NH1 2.77Å; F58-R110 PolarHBondContact O-NH2 3.32Å; E63-R110 IonicContact OE1-CZ 3.82Å; E63-R110 IonicContact OE1-NE 2.84Å; E63-R110 PolarHBondContact OE1-NE 2.86Å; E63-R110 IonicContact OE1-NH2 3.76Å; E63-R110 PolarHBondContact OE1-NH2 2.83Å; E63-R110 IonicContact OE2-CZ 3.18Å; E63-R110 IonicContact OE2-NE 2.69Å; E63-R110 IonicContact OE2-NH2 3.96Å; E63-R110 PolarHBondContact OE2-NH2 2.92Å; I108-R110 HydrophobicContact CG2-CG 4.11Å; R110-Y117 CarbonylContact O-C 3.57Å; R110-Y117 WeakPolarHBondContact O-CA 3.33Å; R110-Y117 WeakPolarHBondContact O-CB 3.39Å; R110-E118 PolarHBondContact N-O 3.18Å; R110-E118 PolarHBondContact O-N 3.49Å |
| 111 | Y | 93.9 | Very high | 93.8 | Very high | 67 Ų | 67 | 51.4 Ų | 51.4 | 26% | 0.263 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 142.3 | 174.9 | -65.1 | -94.9 | 0 | 0 | 0 | 111 | Q33 D34 D36 R109 Y117 | Q33-Y111 WeakPolarHBondContact O-CD2 3.49Å; D34-Y111 WeakPolarHBondContact O-CD2 3.31Å; D36-Y111 HydrophobicContact CB-CE2 4.24Å; D36-Y111 PolarHBondContact OD2-OH 2.89Å; R109-Y111 HydrophobicContact CB-CE2 4.39Å; R109-Y111 VanDerWaalsContact CD-OH 3.27Å; R109-Y111 WeakPolarHBondContact CD-OH 3.15Å; R109-Y111 HydrophobicContact CG-CD2 4.23Å; R109-Y111 HydrophobicContact CG-CE1 4.49Å; R109-Y111 HydrophobicContact CG-CE2 3.71Å; Y111-Y117 HydrophobicContact CE1-CD1 4.26Å |
| 112 | L | 92.7 | Very high | 93.8 | Very high | 30 Ų | 30 | 49 Ų | 49 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -100.2 | 156.8 | 175.1 | -65.8 | 179.6 | 0 | 0 | 0 | 109.7 | I54 T55 D114 G115 S116 | I54-L112 HydrophobicContact CD1-CD1 3.8Å; I54-L112 HydrophobicContact CD1-CD2 3.95Å; I54-L112 HydrophobicContact CG1-CD1 4.14Å; I54-L112 HydrophobicContact CG1-CD2 4.3Å; T55-L112 HydrophobicContact CG2-CD2 3.86Å; L112-D114 VanDerWaalsContact CB-OD1 3.26Å; L112-D114 WeakPolarHBondContact CB-OD1 3.29Å; L112-D114 PolarHBondContact O-N 2.86Å; L112-G115 PolarHBondContact O-N 3.26Å; L112-S116 WeakPolarHBondContact CD1-OG 3.48Å; L112-S116 PolarHBondContact N-O 2.93Å |
| 113 | P | 94 | Very high | 93.8 | Very high | 141 Ų | 141 | 49.4 Ų | 49.4 | 92% | 0.916 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -15.8 | -177.9 | -24.5 | 34.4 | 0 | 0 | 0 | 115.1 | G115 | P113-G115 VanDerWaalsContact C-N 3.31Š|
| 114 | D | 90.5 | Very high | 93.7 | Very high | 124 Ų | 124 | 46.7 Ų | 46.7 | 66% | 0.663 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 0.5 | 174.9 | 66.4 | -5 | 0 | 0 | 0 | 113.3 | L112 S116 | L112-D114 VanDerWaalsContact CB-OD1 3.26Å; L112-D114 WeakPolarHBondContact CB-OD1 3.29Å; L112-D114 PolarHBondContact O-N 2.86Å; D114-S116 VanDerWaalsContact C-N 3.3Å; D114-S116 VanDerWaalsContact CG-OG 3.31Å; D114-S116 WeakPolarHBondContact OD1-CB 3.3Å; D114-S116 PolarHBondContact OD1-N 3.15Å; D114-S116 PolarHBondContact OD1-OG 2.55Å; D114-S116 PolarHBondContact OD2-OG 3.11Å |
| 115 | G | 89.9 | Confident | 93.6 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 59% | 0.588 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 84.1 | -3.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L112 P113 | L112-G115 PolarHBondContact O-N 3.26Å; P113-G115 VanDerWaalsContact C-N 3.31Å |
| 116 | S | 91.8 | Very high | 93.5 | Very high | 48 Ų | 48 | 48.2 Ų | 48.2 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | trans | -74.1 | 169.3 | 169.5 | 70.9 | 0 | 0 | 0 | 0 | 110.8 | L112 D114 | L112-S116 WeakPolarHBondContact CD1-OG 3.48Å; L112-S116 PolarHBondContact N-O 2.93Å; D114-S116 VanDerWaalsContact C-N 3.3Å; D114-S116 VanDerWaalsContact CG-OG 3.31Å; D114-S116 WeakPolarHBondContact OD1-CB 3.3Å; D114-S116 PolarHBondContact OD1-N 3.15Å; D114-S116 PolarHBondContact OD1-OG 2.55Å; D114-S116 PolarHBondContact OD2-OG 3.11Å | ||
| 117 | Y | 93.6 | Very high | 93.4 | Very high | 87 Ų | 87 | 49 Ų | 49 | 34% | 0.341 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 158.8 | -179.4 | 60 | -99.8 | 0 | 0 | 0 | 113.1 | R109 R110 Y111 | R109-Y117 HydrophobicContact CG-CD2 3.93Å; R109-Y117 HydrophobicContact CG-CG 3.89Å; R109-Y117 VanDerWaalsContact NE-CD2 3.31Å; R109-Y117 VanDerWaalsContact NH2-CE2 3.32Å; R110-Y117 CarbonylContact O-C 3.57Å; R110-Y117 WeakPolarHBondContact O-CA 3.33Å; R110-Y117 WeakPolarHBondContact O-CB 3.39Å; Y111-Y117 HydrophobicContact CE1-CD1 4.26Å |
| 118 | E | 93.9 | Very high | 92.9 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.7 | 171.9 | -64.5 | -179.2 | 179.8 | 0 | 0 | 110.5 | R53 I54 T55 R110 W120 | R53-E118 VanDerWaalsContact CA-OE1 3.3Å; R53-E118 WeakPolarHBondContact CA-OE1 3.34Å; R53-E118 HydrophobicContact CG-CG 4.47Å; I54-E118 VanDerWaalsContact CG1-OE1 3.22Å; I54-E118 WeakPolarHBondContact CG1-OE1 3.35Å; I54-E118 PolarHBondContact N-OE1 2.69Å; T55-E118 VanDerWaalsContact CB-OE2 3.3Å; T55-E118 WeakPolarHBondContact CB-OE2 3.47Å; T55-E118 VanDerWaalsContact CG2-OE2 3.29Å; T55-E118 WeakPolarHBondContact CG2-OE2 3.37Å; T55-E118 PolarHBondContact N-OE2 3.44Å; T55-E118 PolarHBondContact OG1-OE2 3Å; R110-E118 PolarHBondContact N-O 3.18Å; R110-E118 PolarHBondContact O-N 3.49Å; E118-W120 PolarHBondContact OE2-NE1 2.61Å; E118-W120 VanDerWaalsContact OE2-NE1 3.15Å |
| 119 | D | 94.3 | Very high | 91.9 | Very high | 40 Ų | 40 | 56.2 Ų | 56.2 | 21% | 0.214 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124.4 | 176.3 | -70.2 | -18 | 0 | 0 | 0 | 110.2 | R53 I107 R109 | R53-D119 PolarHBondContact NE-O 2.79Å; R53-D119 PolarHBondContact NH2-O 2.97Å; R53-D119 VanDerWaalsContact NH2-O 3.11Å; I107-D119 HydrophobicContact CG2-CB 3.86Å; R109-D119 WeakPolarHBondContact CB-OD1 3.42Å; R109-D119 WeakPolarHBondContact CG-OD1 3.27Å; R109-D119 IonicContact CZ-OD1 3.37Å; R109-D119 IonicContact CZ-OD2 3.82Å; R109-D119 IonicContact NE-OD1 3.56Å; R109-D119 PolarHBondContact NE-OD1 3.01Å; R109-D119 IonicContact NE-OD2 3.72Å; R109-D119 IonicContact NH2-OD1 2.7Å; R109-D119 PolarHBondContact NH2-OD1 3.32Å; R109-D119 IonicContact NH2-OD2 3.22Å; R109-D119 PolarHBondContact NH2-OD2 3.03Å |
| 120 | W | 94.2 | Very high | 91.1 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 8% | 0.08 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.2 | -179.7 | -72.1 | 82.3 | 0 | 0 | 0 | 110.6 | R53 T55 P57 I107 I108 E118 E124 L125 | R53-W120 HydrophobicContact CB-CH2 4.47Å; R53-W120 HydrophobicContact CB-CZ2 3.82Å; R53-W120 VanDerWaalsContact CD-CE2 3.47Å; R53-W120 VanDerWaalsContact CD-CZ2 3.42Å; R53-W120 HydrophobicContact CG-CZ2 4.27Å; R53-W120 VanDerWaalsContact NH1-CD2 3.31Å; T55-W120 WeakPolarHBondContact OG1-CZ2 3.07Å; T55-W120 PolarHBondContact OG1-NE1 2.87Å; P57-W120 HydrophobicContact CB-CH2 4.32Å; P57-W120 HydrophobicContact CB-CZ3 4.34Å; I107-W120 CarbonylContact C-O 3.49Å; I107-W120 WeakPolarHBondContact CA-O 3.42Å; I108-W120 PolarHBondContact N-O 2.7Å; I108-W120 PolarHBondContact O-N 3.45Å; E118-W120 PolarHBondContact OE2-NE1 2.61Å; E118-W120 VanDerWaalsContact OE2-NE1 3.15Å; W120-E124 HydrophobicContact CE3-CB 4.44Å; W120-L125 HydrophobicContact CB-CD1 4.03Å; W120-L125 HydrophobicContact CB-CD2 4.28Å; W120-L125 HydrophobicContact CB-CG 4.16Å; W120-L125 HydrophobicContact CD2-CD2 3.85Å; W120-L125 HydrophobicContact CE3-CD2 3.48Å; W120-L125 VanDerWaalsContact CE3-CD2 3.48Å; W120-L125 HydrophobicContact CE3-CG 4.12Å; W120-L125 HydrophobicContact CG-CD2 4.22Å; W120-L125 HydrophobicContact CZ3-CD2 4.09Å |
| 121 | G | 93.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 64 Ų | 64 | 7% | 0.072 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 141.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D123 E124 L125 | G121-D123 WeakPolarHBondContact CA-OD1 3.22Å; G121-D123 PolarHBondContact O-N 3.31Å; G121-E124 WeakPolarHBondContact O-CB 3.26Å; G121-E124 PolarHBondContact O-N 3.32Å; G121-L125 PolarHBondContact O-N 2.82Å |
| 122 | V | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.8 | 173.6 | 164.6 | 0 | 0 | 0 | 0 | 111.6 | M59 V67 I104 I106 I108 E124 | M59-V122 HydrophobicContact CE-CB 4.33Å; M59-V122 HydrophobicContact CE-CG1 3.95Å; M59-V122 HydrophobicContact CE-CG2 4.12Å; V67-V122 HydrophobicContact CG1-CG1 4.45Å; V67-V122 HydrophobicContact CG1-CG2 3.91Å; V67-V122 HydrophobicContact CG2-CG2 3.97Å; I104-V122 HydrophobicContact CB-CG1 4.11Å; I106-V122 HydrophobicContact CB-CG2 4.11Å; I106-V122 HydrophobicContact CG2-CG2 3.98Å; I106-V122 VanDerWaalsContact O-CG2 3.24Å; I106-V122 WeakPolarHBondContact O-CG2 3.41Å; I106-V122 PolarHBondContact O-N 2.67Å; I106-V122 VanDerWaalsContact O-N 3.16Å; I108-V122 HydrophobicContact CD1-CG2 3.96Å; I108-V122 HydrophobicContact CG1-CG2 4.27Å; V122-E124 VanDerWaalsContact C-N 3.32Å |
| 123 | D | 92.4 | Very high | 90.6 | Very high | 97 Ų | 97 | 65.7 Ų | 65.7 | 52% | 0.519 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -22 | 174.1 | 61.3 | -45 | 0 | 0 | 0 | 113.9 | Q102 G121 | Q102-D123 PolarHBondContact NE2-O 3.16Å; G121-D123 WeakPolarHBondContact CA-OD1 3.22Å; G121-D123 PolarHBondContact O-N 3.31Å |
| 124 | E | 91.8 | Very high | 90.4 | Very high | 97 Ų | 97 | 61.2 Ų | 61.2 | 45% | 0.453 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -19.8 | 177.7 | -58.7 | 178.6 | -156.6 | 0 | 0 | 112.9 | R53 W120 G121 V122 | R53-E124 IonicContact CZ-OE2 2.86Å; R53-E124 IonicContact NH1-OE2 2.77Å; R53-E124 PolarHBondContact NH1-OE2 2.87Å; R53-E124 IonicContact NH2-OE1 3.68Å; R53-E124 IonicContact NH2-OE2 3.47Å; R53-E124 PolarHBondContact NH2-OE2 2.79Å; W120-E124 HydrophobicContact CE3-CB 4.44Å; G121-E124 WeakPolarHBondContact O-CB 3.26Å; G121-E124 PolarHBondContact O-N 3.32Å; V122-E124 VanDerWaalsContact C-N 3.32Å |
| 125 | L | 93.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -90.5 | 136.7 | -174.2 | -69.9 | 169.6 | 0 | 0 | 0 | 112.4 | M59 Q102 I108 W120 G121 | M59-L125 HydrophobicContact CB-CB 4.04Å; M59-L125 HydrophobicContact CB-CD1 4.39Å; M59-L125 HydrophobicContact CE-CB 4.03Å; M59-L125 HydrophobicContact CE-CD1 3.87Å; Q102-L125 PolarHBondContact NE2-O 2.72Å; I108-L125 HydrophobicContact CD1-CD1 3.51Å; W120-L125 HydrophobicContact CB-CD1 4.03Å; W120-L125 HydrophobicContact CB-CD2 4.28Å; W120-L125 HydrophobicContact CB-CG 4.16Å; W120-L125 HydrophobicContact CD2-CD2 3.85Å; W120-L125 HydrophobicContact CE3-CD2 3.48Å; W120-L125 VanDerWaalsContact CE3-CD2 3.48Å; W120-L125 HydrophobicContact CE3-CG 4.12Å; W120-L125 HydrophobicContact CG-CD2 4.22Å; W120-L125 HydrophobicContact CZ3-CD2 4.09Å; G121-L125 PolarHBondContact O-N 2.82Å |
| 126 | T | 94.2 | Very high | 90.5 | Very high | 72 Ų | 72 | 57.3 Ų | 57.3 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -84.4 | 126.3 | 175 | -58 | 0 | 0 | 0 | 0 | 110.9 | P57 F58 M59 | P57-T126 PolarHBondContact O-N 3.48Å; F58-T126 WeakPolarHBondContact CA-O 3.3Å; F58-T126 HydrophobicContact CD1-CG2 3.91Å; F58-T126 HydrophobicContact CE1-CG2 3.83Å; M59-T126 PolarHBondContact N-O 3.33Å |
| 127 | I | 91.8 | Very high | 90.4 | Very high | 21 Ų | 21 | 58 Ų | 58 | 11% | 0.108 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -98.8 | 118.3 | 177.5 | -56.9 | 169.7 | 0 | 0 | 0 | 108.8 | M59 M99 D129 W130 | M59-I127 HydrophobicContact CB-CG1 4.11Å; M59-I127 HydrophobicContact CE-CD1 4.47Å; M59-I127 HydrophobicContact CE-CG1 4.38Å; M59-I127 HydrophobicContact SD-CD1 4.17Å; M59-I127 HydrophobicContact SD-CG1 3.96Å; M99-I127 HydrophobicContact CG-CD1 3.52Å; M99-I127 HydrophobicContact SD-CD1 3.98Å; I127-D129 WeakPolarHBondContact CG2-O 3.37Å; I127-W130 HydrophobicContact CB-CH2 4.25Å; I127-W130 HydrophobicContact CB-CZ2 3.73Å; I127-W130 HydrophobicContact CD1-CH2 3.59Å; I127-W130 HydrophobicContact CD1-CZ2 3.91Å; I127-W130 HydrophobicContact CD1-CZ3 4.42Å; I127-W130 HydrophobicContact CG1-CZ2 4.42Å; I127-W130 HydrophobicContact CG2-CD2 4.19Å; I127-W130 HydrophobicContact CG2-CH2 4.07Å; I127-W130 HydrophobicContact CG2-CZ2 3.7Å; I127-W130 HydrophobicContact CG2-CZ3 4.45Å |
| 128 | T | 85.1 | Confident | 90.1 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | trans | -97.1 | -16.4 | -177.2 | 47 | 0 | 0 | 0 | 0 | 114.2 | F58 | F58-T128 HydrophobicContact CD1-CG2 3.56Å; F58-T128 HydrophobicContact CE1-CG2 3.76Å | ||
| 129 | D | 75.4 | Confident | 89.8 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 51% | 0.508 | 30% | 0.303 | S | S | . | . | trans | -123.2 | 138.7 | -172.2 | -162.6 | -92.9 | 0 | 0 | 0 | 107.8 | R64 I127 | R64-D129 IonicContact CZ-OD1 3.24Å; R64-D129 VanDerWaalsContact CZ-OD1 3.24Å; R64-D129 VanDerWaalsContact NH1-CB 3.32Å; R64-D129 PolarHBondContact NH1-O 3.49Å; R64-D129 IonicContact NH1-OD1 3.4Å; R64-D129 PolarHBondContact NH1-OD1 3.46Å; R64-D129 IonicContact NH2-OD1 2.78Å; R64-D129 PolarHBondContact NH2-OD1 2.98Å; I127-D129 WeakPolarHBondContact CG2-O 3.37Å | ||
| 130 | W | 77.5 | Confident | 89.4 | Confident | 160 Ų | 160 | 61.2 Ų | 61.2 | 61% | 0.606 | 31% | 0.311 | S | S | * | . | trans | -141.4 | 0 | -177.6 | -70.7 | 103.7 | 0 | 0 | 0 | 112.3 | M99 R100 I127 | M99-W130 HydrophobicContact CB-CZ3 4.38Å; M99-W130 HydrophobicContact CG-CH2 3.99Å; M99-W130 HydrophobicContact CG-CZ3 4Å; M99-W130 HydrophobicContact SD-CZ3 4.45Å; R100-W130 HydrophobicContact CB-CH2 4.18Å; R100-W130 HydrophobicContact CB-CZ3 4.24Å; R100-W130 HydrophobicContact CG-CD2 4.43Å; R100-W130 HydrophobicContact CG-CE3 3.72Å; R100-W130 HydrophobicContact CG-CH2 3.64Å; R100-W130 HydrophobicContact CG-CZ2 4.34Å; R100-W130 HydrophobicContact CG-CZ3 3.28Å; I127-W130 HydrophobicContact CB-CH2 4.25Å; I127-W130 HydrophobicContact CB-CZ2 3.73Å; I127-W130 HydrophobicContact CD1-CH2 3.59Å; I127-W130 HydrophobicContact CD1-CZ2 3.91Å; I127-W130 HydrophobicContact CD1-CZ3 4.42Å; I127-W130 HydrophobicContact CG1-CZ2 4.42Å; I127-W130 HydrophobicContact CG2-CD2 4.19Å; I127-W130 HydrophobicContact CG2-CH2 4.07Å; I127-W130 HydrophobicContact CG2-CZ2 3.7Å; I127-W130 HydrophobicContact CG2-CZ3 4.45Å |
Retrieved 130 of 130 residues in 262.7 ms
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