| 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 | 55.4 | Low | 63.4 | Low | 242 Ų | 242 | 164.5 Ų | 164.5 | 100% | 1.192 | 88% | 0.878 | S | S | * | * | 0 | 104.1 | 0 | -59.2 | -158.8 | -178.6 | 0 | 0 | 107.4 | |||||
| 2 | T | 64.1 | Low | 63.6 | Low | 139 Ų | 139 | 163.6 Ų | 163.6 | 85% | 0.853 | 87% | 0.87 | S | S | * | * | trans | -131.2 | 101.1 | -175.3 | 44.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 3 | S | 64.1 | Low | 63.3 | Low | 122 Ų | 122 | 159.7 Ų | 159.7 | 85% | 0.853 | 86% | 0.86 | S | S | * | * | trans | -95.6 | 110.6 | 168 | 48.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 4 | T | 68.4 | Low | 63.4 | Low | 132 Ų | 132 | 155.1 Ų | 155.1 | 81% | 0.81 | 86% | 0.855 | S | S | * | * | trans | -92.4 | 113.4 | 170.4 | 40.3 | 0 | 0 | 0 | 0 | 109 | L6 | T4-L6 PolarHBondContact O-N 3.47Š| ||
| 5 | L | 69.7 | Low | 63.4 | Low | 175 Ų | 175 | 153.4 Ų | 153.4 | 92% | 0.916 | 85% | 0.851 | S | S | * | * | trans | -59.8 | 119.3 | 171.8 | -86.6 | 151.8 | 0 | 0 | 0 | 110.2 | K7 | L5-K7 PolarHBondContact O-N 3.21Š| ||
| 6 | L | 65.4 | Low | 63.7 | Low | 170 Ų | 170 | 149.6 Ų | 149.6 | 89% | 0.89 | 85% | 0.845 | S | S | * | * | trans | -66.8 | 117.3 | 172.3 | -75.9 | 168.3 | 0 | 0 | 0 | 109.7 | T4 T8 | T4-L6 PolarHBondContact O-N 3.47Å; L6-T8 PolarHBondContact O-N 3.26Å | ||
| 7 | K | 66.6 | Low | 64.2 | Low | 195 Ų | 195 | 145.2 Ų | 145.2 | 85% | 0.848 | 83% | 0.832 | S | S | * | * | trans | -62.9 | 113.3 | 175 | -169.4 | 144.5 | -175.8 | 166.8 | 0 | 109.5 | L5 R9 | L5-K7 PolarHBondContact O-N 3.21Å; K7-R9 PolarHBondContact O-N 2.87Å | ||
| 8 | T | 63.1 | Low | 64.6 | Low | 127 Ų | 127 | 148.9 Ų | 148.9 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | trans | -57.8 | 107.7 | 168.6 | 41.5 | 0 | 0 | 0 | 0 | 108.4 | L6 N10 | L6-T8 PolarHBondContact O-N 3.26Å; T8-N10 PolarHBondContact O-N 3.34Å | ||
| 9 | R | 55.4 | Low | 65.6 | Low | 233 Ų | 233 | 148.6 Ų | 148.6 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | trans | -72.7 | 124.9 | 166.8 | -71.5 | -177.8 | 176.1 | 175.2 | -1 | 106.6 | K7 C11 | K7-R9 PolarHBondContact O-N 2.87Å; R9-C11 PolarHBondContact O-N 3.02Å | ||
| 10 | N | 64.5 | Low | 66.7 | Low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -44.7 | 104 | 172.3 | -65.7 | -13.9 | 0 | 0 | 0 | 109.7 | T8 I12 | T8-N10 PolarHBondContact O-N 3.34Å; N10-I12 PolarHBondContact O-N 3.19Å | ||
| 11 | C | 60.9 | Low | 67.8 | Low | 118 Ų | 118 | 144.7 Ų | 144.7 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -70.3 | 107.6 | 166.3 | 30.7 | 0 | 0 | 0 | 0 | 106.5 | R9 P13 | R9-C11 PolarHBondContact O-N 3.02Å; C11-P13 WeakPolarHBondContact O-CD 3.47Å | ||
| 12 | I | 65.6 | Low | 69.4 | Low | 153 Ų | 153 | 141.6 Ų | 141.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -54.3 | 120.6 | 162.6 | -58.6 | 166.7 | 0 | 0 | 0 | 105 | N10 A14 | N10-I12 PolarHBondContact O-N 3.19Å; I12-A14 PolarHBondContact O-N 2.82Å | ||
| 13 | P | 59.5 | Low | 70.7 | Confident | 113 Ų | 113 | 140.4 Ų | 140.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -58.1 | 117.5 | 178 | 23.1 | -30.9 | 0 | 0 | 0 | 106.9 | C11 T15 | C11-P13 WeakPolarHBondContact O-CD 3.47Å; P13-T15 VanDerWaalsContact C-N 3.33Å; P13-T15 PolarHBondContact O-N 2.98Å | ||
| 14 | A | 64.6 | Low | 71.8 | Confident | 96 Ų | 96 | 137.6 Ų | 137.6 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | trans | -59.4 | 100.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | I12 A16 | I12-A14 PolarHBondContact O-N 2.82Å; A14-A16 PolarHBondContact O-N 3.11Å; A14-A16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | T | 63.7 | Low | 72.9 | Confident | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | -48 | 122.3 | 162.1 | 38.4 | 0 | 0 | 0 | 0 | 106.3 | P13 A17 | P13-T15 VanDerWaalsContact C-N 3.33Å; P13-T15 PolarHBondContact O-N 2.98Å; T15-A17 PolarHBondContact O-N 2.88Å | ||
| 16 | A | 67.7 | Low | 73.8 | Confident | 92 Ų | 92 | 133.3 Ų | 133.3 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | trans | -45.5 | 112.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | A14 R18 | A14-A16 PolarHBondContact O-N 3.11Å; A14-A16 VanDerWaalsContact O-N 3.11Å; A16-R18 PolarHBondContact O-N 2.91Å | ||
| 17 | A | 72.2 | Confident | 75.1 | Confident | 75 Ų | 75 | 132.4 Ų | 132.4 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | trans | -57.8 | 111.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | T15 L19 | T15-A17 PolarHBondContact O-N 2.88Å; A17-L19 VanDerWaalsContact C-N 3.32Å; A17-L19 HydrophobicContact CB-CD2 4.23Å; A17-L19 PolarHBondContact O-N 2.89Å | ||
| 18 | R | 71.8 | Confident | 76.3 | Confident | 212 Ų | 212 | 131.6 Ų | 131.6 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | trans | -66.9 | 99.4 | 173 | -74.8 | -177.2 | 171.1 | 154.2 | -2.7 | 106.3 | A16 D20 | A16-R18 PolarHBondContact O-N 2.91Å; R18-D20 PolarHBondContact O-N 3.18Å | ||
| 19 | L | 82.8 | Confident | 77.8 | Confident | 144 Ų | 144 | 127.5 Ų | 127.5 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | trans | -82.9 | 88.4 | 178.9 | -63.7 | -179.3 | 0 | 0 | 0 | 108.2 | A17 M23 | A17-L19 VanDerWaalsContact C-N 3.32Å; A17-L19 HydrophobicContact CB-CD2 4.23Å; A17-L19 PolarHBondContact O-N 2.89Å; L19-M23 HydrophobicContact CD2-SD 3.79Å | ||
| 20 | D | 89 | Confident | 79.7 | Confident | 105 Ų | 105 | 125.9 Ų | 125.9 | 56% | 0.561 | 69% | 0.688 | S | S | * | * | trans | -84.8 | 148.8 | 172.1 | -60.4 | -37 | 0 | 0 | 0 | 110.3 | R18 Y22 M23 | R18-D20 PolarHBondContact O-N 3.18Å; D20-Y22 PolarHBondContact O-N 3.08Å; D20-M23 WeakPolarHBondContact O-CG 3.41Å; D20-M23 PolarHBondContact O-N 3.01Å; D20-M23 VanDerWaalsContact O-N 3.08Å | ||
| 21 | C | 88.4 | Confident | 81.2 | Confident | 109 Ų | 109 | 127.5 Ų | 127.5 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -58.4 | -20.6 | 178 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 22 | Y | 90 | Very high | 82.9 | Confident | 177 Ų | 177 | 132.2 Ų | 132.2 | 69% | 0.694 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -80.5 | -13.9 | 179.8 | -61.5 | -70.6 | 0 | 0 | 0 | 114.6 | D20 A24 S25 | D20-Y22 PolarHBondContact O-N 3.08Å; Y22-A24 PolarHBondContact O-N 2.95Å; Y22-S25 PolarHBondContact O-N 3.15Å; Y22-S25 VanDerWaalsContact O-N 3.15Å; Y22-S25 PolarHBondContact O-OG 3.04Å |
| 23 | M | 90.8 | Very high | 84.4 | Confident | 115 Ų | 115 | 132.6 Ų | 132.6 | 57% | 0.567 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -57.4 | -29.5 | -175.2 | -70.2 | -168.3 | 83.7 | 0 | 0 | 113.9 | L19 D20 | L19-M23 HydrophobicContact CD2-SD 3.79Å; D20-M23 WeakPolarHBondContact O-CG 3.41Å; D20-M23 PolarHBondContact O-N 3.01Å; D20-M23 VanDerWaalsContact O-N 3.08Å |
| 24 | A | 88.1 | Confident | 86.2 | Confident | 63 Ų | 63 | 133.6 Ų | 133.6 | 52% | 0.521 | 68% | 0.681 | S | S | . | * | G | 310 helix | trans | -116.4 | 6.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y22 R27 | Y22-A24 PolarHBondContact O-N 2.95Å; A24-R27 VanDerWaalsContact O-CG 3.3Å; A24-R27 WeakPolarHBondContact O-CG 3.3Å |
| 25 | S | 90 | Very high | 87.7 | Confident | 59 Ų | 59 | 138.3 Ų | 138.3 | 41% | 0.413 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | -38.5 | -175.3 | 66.7 | 0 | 0 | 0 | 0 | 112.5 | Y22 R27 | Y22-S25 PolarHBondContact O-N 3.15Å; Y22-S25 VanDerWaalsContact O-N 3.15Å; Y22-S25 PolarHBondContact O-OG 3.04Å; S25-R27 PolarHBondContact O-N 3.31Å |
| 26 | L | 89.7 | Confident | 89.2 | Confident | 158 Ų | 158 | 140.9 Ų | 140.9 | 83% | 0.827 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -88.5 | 94.1 | -178.6 | -59 | -179.3 | 0 | 0 | 0 | 111.1 | ||
| 27 | R | 92.3 | Very high | 90.6 | Very high | 151 Ų | 151 | 139.2 Ų | 139.2 | 57% | 0.57 | 65% | 0.652 | S | S | * | * | trans | -142.7 | 154.1 | 179.4 | -56.4 | -73.7 | -166.2 | -147.1 | -0 | 111.6 | A24 S25 R53 | A24-R27 VanDerWaalsContact O-CG 3.3Å; A24-R27 WeakPolarHBondContact O-CG 3.3Å; S25-R27 PolarHBondContact O-N 3.31Å; R27-R53 PolarHBondContact O-NH2 3.44Å | ||
| 28 | K | 92.3 | Very high | 91.7 | Very high | 178 Ų | 178 | 138.8 Ų | 138.8 | 77% | 0.774 | 63% | 0.634 | S | S | * | * | trans | -104.6 | 163.1 | 168.5 | 72.1 | 177.2 | -177.8 | -178.9 | 0 | 112 | K30 | K28-K30 PolarHBondContact O-N 2.82Š| ||
| 29 | V | 94.6 | Very high | 92.9 | Very high | 41 Ų | 41 | 133 Ų | 133 | 25% | 0.248 | 63% | 0.625 | C | S | . | * | trans | -68 | 125.3 | 173 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | R31 Y34 L37 | V29-R31 HydrophobicContact CG1-CB 4.17Å; V29-R31 HydrophobicContact CG1-CG 4.16Å; V29-R31 PolarHBondContact O-N 3.17Å; V29-R31 VanDerWaalsContact O-N 3.17Å; V29-Y34 HydrophobicContact CB-CD1 4.47Å; V29-Y34 HydrophobicContact CB-CD2 4.27Å; V29-Y34 HydrophobicContact CB-CG 4.25Å; V29-Y34 HydrophobicContact CG1-CD1 4.47Å; V29-Y34 HydrophobicContact CG1-CG 4.12Å; V29-Y34 HydrophobicContact CG2-CD2 4.38Å; V29-L37 HydrophobicContact CG2-CD1 4.19Å | ||
| 30 | K | 95.6 | Very high | 93.6 | Very high | 199 Ų | 199 | 126.3 Ų | 126.3 | 87% | 0.865 | 59% | 0.59 | S | S | * | * | trans | -85.9 | 35.2 | -176 | -62.4 | -175.6 | 178.4 | -179.1 | 0 | 113.7 | K28 | K28-K30 PolarHBondContact O-N 2.82Š| ||
| 31 | R | 96.3 | Very high | 94 | Very high | 191 Ų | 191 | 125.9 Ų | 125.9 | 72% | 0.721 | 59% | 0.586 | S | S | * | * | trans | -116.1 | 144.5 | 178.6 | -62.7 | -177 | -177.4 | 178.6 | 1.2 | 109.4 | V29 Y34 | V29-R31 HydrophobicContact CG1-CB 4.17Å; V29-R31 HydrophobicContact CG1-CG 4.16Å; V29-R31 PolarHBondContact O-N 3.17Å; V29-R31 VanDerWaalsContact O-N 3.17Å; R31-Y34 WeakPolarHBondContact O-CD1 3.39Å | ||
| 32 | K | 96.6 | Very high | 94.4 | Very high | 217 Ų | 217 | 123 Ų | 123 | 94% | 0.943 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -65.6 | -45.5 | 177.6 | -69.3 | -174.7 | 180 | -178.9 | 0 | 111.8 | ||
| 33 | I | 97 | Very high | 94.8 | Very high | 160 Ų | 160 | 116.3 Ų | 116.3 | 82% | 0.821 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -115.7 | 123.2 | 176.6 | -56.4 | 171.1 | 0 | 0 | 0 | 107.2 | ||
| 34 | Y | 96.4 | Very high | 95.1 | Very high | 135 Ų | 135 | 112.9 Ų | 112.9 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | trans | -145.7 | 147.5 | 176.4 | 61.7 | -84 | 0 | 0 | 0 | 110.8 | V29 R31 | V29-Y34 HydrophobicContact CB-CD1 4.47Å; V29-Y34 HydrophobicContact CB-CD2 4.27Å; V29-Y34 HydrophobicContact CB-CG 4.25Å; V29-Y34 HydrophobicContact CG1-CD1 4.47Å; V29-Y34 HydrophobicContact CG1-CG 4.12Å; V29-Y34 HydrophobicContact CG2-CD2 4.38Å; R31-Y34 WeakPolarHBondContact O-CD1 3.39Å | ||
| 35 | R | 95.6 | Very high | 95.4 | Very high | 194 Ų | 194 | 113.2 Ų | 113.2 | 73% | 0.732 | 52% | 0.52 | S | S | * | . | trans | -70.5 | 147.4 | 171.4 | -65.2 | 178.4 | 69.1 | 173.5 | 1.7 | 109.3 | L37 | R35-L37 PolarHBondContact O-N 2.85Š| ||
| 36 | R | 95.7 | Very high | 95.5 | Very high | 183 Ų | 183 | 115.6 Ų | 115.6 | 69% | 0.691 | 53% | 0.528 | S | S | * | . | trans | -58.3 | 129.5 | 172.7 | -176.4 | 170.1 | -179.9 | 174.4 | 1 | 109.4 | Y38 | R36-Y38 WeakPolarHBondContact CD-OH 3.44Å; R36-Y38 HydrophobicContact CG-CE1 4.24Å; R36-Y38 HydrophobicContact CG-CE2 4.25Å | ||
| 37 | L | 96.6 | Very high | 95.7 | Very high | 57 Ų | 57 | 110.6 Ų | 110.6 | 30% | 0.298 | 52% | 0.515 | S | S | . | . | trans | -115.3 | 142.5 | 173.5 | -57.4 | 173.5 | 0 | 0 | 0 | 108.9 | V29 R35 R53 F54 N55 | V29-L37 HydrophobicContact CG2-CD1 4.19Å; R35-L37 PolarHBondContact O-N 2.85Å; L37-R53 HydrophobicContact CB-CB 3.87Å; L37-R53 HydrophobicContact CD1-CB 3.98Å; L37-F54 CarbonylContact C-O 3.56Å; L37-F54 VanDerWaalsContact CA-O 3.28Å; L37-F54 WeakPolarHBondContact CA-O 3.49Å; L37-N55 WeakPolarHBondContact CD2-OD1 3.16Å | ||
| 38 | Y | 96.9 | Very high | 95.9 | Very high | 66 Ų | 66 | 106.2 Ų | 106.2 | 26% | 0.259 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 140.5 | -179.4 | -59 | -86.1 | 0 | 0 | 0 | 109.7 | R36 V40 R53 F54 P57 | R36-Y38 WeakPolarHBondContact CD-OH 3.44Å; R36-Y38 HydrophobicContact CG-CE1 4.24Å; R36-Y38 HydrophobicContact CG-CE2 4.25Å; Y38-V40 WeakPolarHBondContact O-CG2 3.28Å; Y38-V40 PolarHBondContact O-N 2.82Å; Y38-R53 CarbonylContact O-C 3.54Å; Y38-R53 VanDerWaalsContact O-CA 3.32Å; Y38-R53 WeakPolarHBondContact O-CA 3.48Å; Y38-F54 PolarHBondContact N-O 3.46Å; Y38-F54 PolarHBondContact O-N 3.31Å; Y38-P57 HydrophobicContact CD1-CB 3.93Å; Y38-P57 HydrophobicContact CD2-CB 3.97Å; Y38-P57 HydrophobicContact CE1-CB 4.03Å; Y38-P57 HydrophobicContact CE2-CB 4.06Å; Y38-P57 HydrophobicContact CE2-CG 4.38Å; Y38-P57 HydrophobicContact CG-CB 3.89Å |
| 39 | P | 95.8 | Very high | 96.1 | Very high | 92 Ų | 92 | 100.6 Ų | 100.6 | 60% | 0.597 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 127 | 171.2 | 30.2 | -32.2 | 0 | 0 | 0 | 109.2 | ||
| 40 | V | 97.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 102.6 Ų | 102.6 | 2% | 0.018 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 140.1 | -177.2 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | Y38 M42 V52 F54 R58 I61 | Y38-V40 WeakPolarHBondContact O-CG2 3.28Å; Y38-V40 PolarHBondContact O-N 2.82Å; V40-M42 PolarHBondContact O-N 2.81Å; V40-V52 PolarHBondContact N-O 2.77Å; V40-V52 PolarHBondContact O-N 2.85Å; V40-F54 HydrophobicContact CB-CB 4.25Å; V40-F54 HydrophobicContact CG2-CB 3.53Å; V40-R58 HydrophobicContact CG1-CB 4.24Å; V40-R58 WeakPolarHBondContact CG1-O 3.4Å; V40-R58 WeakPolarHBondContact CG2-O 3.33Å; V40-I61 HydrophobicContact CB-CD1 4.4Å; V40-I61 HydrophobicContact CG1-CB 4.34Å; V40-I61 HydrophobicContact CG1-CD1 3.66Å; V40-I61 HydrophobicContact CG1-CG1 3.7Å |
| 41 | M | 97.6 | Very high | 96.1 | Very high | 96 Ų | 96 | 100.4 Ų | 100.4 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 110.9 | 170.6 | -69.2 | -174.9 | 66.6 | 0 | 0 | 109.8 | A49 Q59 I60 I61 | M41-A49 HydrophobicContact CE-CB 4.08Å; M41-Q59 PolarHBondContact N-O 2.9Å; M41-I60 HydrophobicContact CB-CG1 4.49Å; M41-I60 CarbonylContact O-C 3.56Å; M41-I60 WeakPolarHBondContact O-CA 3.32Å; M41-I61 PolarHBondContact O-N 2.9Å |
| 42 | M | 97.6 | Very high | 96.1 | Very high | 49 Ų | 49 | 94 Ų | 94 | 24% | 0.241 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 114.6 | 172.4 | -171.2 | 171.9 | 74.7 | 0 | 0 | 109.1 | V40 L44 A49 I50 V52 I61 L63 | V40-M42 PolarHBondContact O-N 2.81Å; M42-L44 HydrophobicContact CE-CD2 3.99Å; M42-A49 WeakPolarHBondContact O-CA 3.41Å; M42-I50 PolarHBondContact N-O 2.86Å; M42-I50 PolarHBondContact O-N 2.79Å; M42-V52 HydrophobicContact CB-CG2 4.09Å; M42-V52 HydrophobicContact CE-CG2 4.01Å; M42-V52 HydrophobicContact SD-CG2 4.34Å; M42-I61 CarbonylContact C-O 3.52Å; M42-I61 WeakPolarHBondContact CA-O 2.85Å; M42-L63 HydrophobicContact CG-CD1 4.39Å; M42-L63 HydrophobicContact CG-CG 4.25Å; M42-L63 HydrophobicContact SD-CD1 4.27Å |
| 43 | V | 97.9 | Very high | 96 | Very high | 36 Ų | 36 | 90.1 Ų | 90.1 | 22% | 0.218 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 117.3 | 177 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | I60 I61 K62 L63 | V43-I60 HydrophobicContact CG2-CG2 3.78Å; V43-I61 PolarHBondContact N-O 3.43Å; V43-K62 HydrophobicContact CB-CG 4.23Å; V43-L63 PolarHBondContact O-N 3.06Å |
| 44 | L | 96.5 | Very high | 96 | Very high | 42 Ų | 42 | 86 Ų | 86 | 22% | 0.22 | 44% | 0.435 | C | S | . | . | trans | -77.7 | 162.3 | 177.9 | -64.5 | 178.7 | 0 | 0 | 0 | 110.6 | M42 D46 G47 S48 I50 L63 | M42-L44 HydrophobicContact CE-CD2 3.99Å; L44-D46 WeakPolarHBondContact CB-OD1 3.16Å; L44-D46 PolarHBondContact O-N 2.79Å; L44-G47 PolarHBondContact O-N 2.85Å; L44-S48 WeakPolarHBondContact CB-O 3.14Å; L44-S48 PolarHBondContact N-O 2.59Å; L44-I50 HydrophobicContact CD1-CD1 3.81Å; L44-I50 HydrophobicContact CD1-CG1 4.37Å; L44-I50 HydrophobicContact CG-CD1 4.48Å; L44-L63 HydrophobicContact CD2-CD1 3.62Å | ||
| 45 | P | 95 | Very high | 96 | Very high | 70 Ų | 70 | 84 Ų | 84 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.5 | -178.7 | 25.6 | -35.9 | 0 | 0 | 0 | 114.4 | G47 V65 | P45-G47 VanDerWaalsContact C-N 3.26Å; P45-V65 HydrophobicContact CB-CB 4.31Å; P45-V65 HydrophobicContact CB-CG2 3.79Å |
| 46 | D | 92.2 | Very high | 96 | Very high | 109 Ų | 109 | 79.2 Ų | 79.2 | 58% | 0.583 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -5.7 | 173 | 63.1 | -46.7 | 0 | 0 | 0 | 113.2 | L44 S48 | L44-D46 WeakPolarHBondContact CB-OD1 3.16Å; L44-D46 PolarHBondContact O-N 2.79Å; D46-S48 VanDerWaalsContact C-N 3.34Å; D46-S48 WeakPolarHBondContact OD2-CB 3.41Å; D46-S48 PolarHBondContact OD2-OG 2.88Å |
| 47 | G | 93.5 | Very high | 96.1 | Very high | 54 Ų | 54 | 75.3 Ų | 75.3 | 56% | 0.557 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 90.7 | -9.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L44 P45 | L44-G47 PolarHBondContact O-N 2.85Å; P45-G47 VanDerWaalsContact C-N 3.26Å |
| 48 | S | 96.2 | Very high | 96 | Very high | 58 Ų | 58 | 78.7 Ų | 78.7 | 41% | 0.406 | 43% | 0.427 | S | S | . | . | trans | -61.4 | 146.2 | 172.7 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | L44 D46 | L44-S48 WeakPolarHBondContact CB-O 3.14Å; L44-S48 PolarHBondContact N-O 2.59Å; D46-S48 VanDerWaalsContact C-N 3.34Å; D46-S48 WeakPolarHBondContact OD2-CB 3.41Å; D46-S48 PolarHBondContact OD2-OG 2.88Å | ||
| 49 | A | 96.9 | Very high | 96 | Very high | 60 Ų | 60 | 83.2 Ų | 83.2 | 50% | 0.496 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | M41 M42 | M41-A49 HydrophobicContact CE-CB 4.08Å; M42-A49 WeakPolarHBondContact O-CA 3.41Å |
| 50 | I | 95.9 | Very high | 96 | Very high | 84 Ų | 84 | 82.8 Ų | 82.8 | 43% | 0.431 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.3 | 177.5 | -55 | 175.3 | 0 | 0 | 0 | 109.1 | M42 L44 V52 | M42-I50 PolarHBondContact N-O 2.86Å; M42-I50 PolarHBondContact O-N 2.79Å; L44-I50 HydrophobicContact CD1-CD1 3.81Å; L44-I50 HydrophobicContact CD1-CG1 4.37Å; L44-I50 HydrophobicContact CG-CD1 4.48Å; I50-V52 HydrophobicContact CG2-CG2 4.08Å |
| 51 | M | 95.5 | Very high | 96 | Very high | 152 Ų | 152 | 84.2 Ų | 84.2 | 75% | 0.749 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 115 | 176.6 | -160.7 | 175.8 | 67 | 0 | 0 | 110.3 | ||
| 52 | V | 95.1 | Very high | 96 | Very high | 58 Ų | 58 | 87.7 Ų | 87.7 | 35% | 0.352 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 152.3 | -176.5 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | V40 M42 I50 | V40-V52 PolarHBondContact N-O 2.77Å; V40-V52 PolarHBondContact O-N 2.85Å; M42-V52 HydrophobicContact CB-CG2 4.09Å; M42-V52 HydrophobicContact CE-CG2 4.01Å; M42-V52 HydrophobicContact SD-CG2 4.34Å; I50-V52 HydrophobicContact CG2-CG2 4.08Å |
| 53 | R | 95.6 | Very high | 95.9 | Very high | 134 Ų | 134 | 88.6 Ų | 88.6 | 51% | 0.506 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.1 | 173.3 | -72.3 | -172.8 | 176.8 | 96.6 | -4.6 | 110.3 | R27 L37 Y38 | R27-R53 PolarHBondContact O-NH2 3.44Å; L37-R53 HydrophobicContact CB-CB 3.87Å; L37-R53 HydrophobicContact CD1-CB 3.98Å; Y38-R53 CarbonylContact O-C 3.54Å; Y38-R53 VanDerWaalsContact O-CA 3.32Å; Y38-R53 WeakPolarHBondContact O-CA 3.48Å |
| 54 | F | 96.8 | Very high | 95.8 | Very high | 74 Ų | 74 | 92.2 Ų | 92.2 | 33% | 0.325 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 160.8 | -176 | -162.4 | -112.8 | 0 | 0 | 0 | 112.4 | L37 Y38 V40 E56 I61 | L37-F54 CarbonylContact C-O 3.56Å; L37-F54 VanDerWaalsContact CA-O 3.28Å; L37-F54 WeakPolarHBondContact CA-O 3.49Å; Y38-F54 PolarHBondContact N-O 3.46Å; Y38-F54 PolarHBondContact O-N 3.31Å; V40-F54 HydrophobicContact CB-CB 4.25Å; V40-F54 HydrophobicContact CG2-CB 3.53Å; F54-E56 HydrophobicContact CD1-CB 3.99Å; F54-E56 HydrophobicContact CE1-CB 3.95Å; F54-E56 HydrophobicContact CE1-CG 4.22Å; F54-I61 HydrophobicContact CB-CD1 4.34Å; F54-I61 HydrophobicContact CD1-CD1 3.81Å; F54-I61 HydrophobicContact CD2-CD1 3.98Å; F54-I61 HydrophobicContact CE1-CD1 4.07Å; F54-I61 HydrophobicContact CE2-CD1 4.22Å; F54-I61 HydrophobicContact CG-CD1 3.78Å; F54-I61 HydrophobicContact CZ-CD1 4.26Å |
| 55 | N | 96.3 | Very high | 95.6 | Very high | 92 Ų | 92 | 92.9 Ų | 92.9 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -74.7 | -36.9 | -174.1 | -63.9 | 1.4 | 0 | 0 | 0 | 112.7 | L37 | L37-N55 WeakPolarHBondContact CD2-OD1 3.16Š|
| 56 | E | 95.6 | Very high | 95.5 | Very high | 94 Ų | 94 | 93.5 Ų | 93.5 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -96.5 | 145 | -179.4 | -63.4 | 175.9 | -176.1 | 0 | 0 | 110.7 | F54 R58 | F54-E56 HydrophobicContact CD1-CB 3.99Å; F54-E56 HydrophobicContact CE1-CB 3.95Å; F54-E56 HydrophobicContact CE1-CG 4.22Å; E56-R58 HydrophobicContact CB-CG 4.25Å; E56-R58 PolarHBondContact O-N 2.98Å; E56-R58 IonicContact OE2-CZ 3.21Å; E56-R58 IonicContact OE2-NE 2.85Å; E56-R58 PolarHBondContact OE2-NE 3.25Å; E56-R58 IonicContact OE2-NH2 2.77Å; E56-R58 PolarHBondContact OE2-NH2 2.85Å |
| 57 | P | 96.7 | Very high | 95.5 | Very high | 102 Ų | 102 | 90.4 Ų | 90.4 | 66% | 0.662 | 48% | 0.48 | S | S | * | . | trans | -76.4 | 74.9 | 178.6 | 32.9 | -35.4 | 0 | 0 | 0 | 110.9 | Y38 | Y38-P57 HydrophobicContact CD1-CB 3.93Å; Y38-P57 HydrophobicContact CD2-CB 3.97Å; Y38-P57 HydrophobicContact CE1-CB 4.03Å; Y38-P57 HydrophobicContact CE2-CB 4.06Å; Y38-P57 HydrophobicContact CE2-CG 4.38Å; Y38-P57 HydrophobicContact CG-CB 3.89Å | ||
| 58 | R | 95.9 | Very high | 95.4 | Very high | 128 Ų | 128 | 92.5 Ų | 92.5 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | trans | -101.1 | 145.2 | 172.9 | -62 | -175.4 | -178 | -156.5 | -0.5 | 109.7 | V40 E56 I61 | V40-R58 HydrophobicContact CG1-CB 4.24Å; V40-R58 WeakPolarHBondContact CG1-O 3.4Å; V40-R58 WeakPolarHBondContact CG2-O 3.33Å; E56-R58 HydrophobicContact CB-CG 4.25Å; E56-R58 PolarHBondContact O-N 2.98Å; E56-R58 IonicContact OE2-CZ 3.21Å; E56-R58 IonicContact OE2-NE 2.85Å; E56-R58 PolarHBondContact OE2-NE 3.25Å; E56-R58 IonicContact OE2-NH2 2.77Å; E56-R58 PolarHBondContact OE2-NH2 2.85Å; R58-I61 HydrophobicContact CB-CG1 4.46Å | ||
| 59 | Q | 95.8 | Very high | 95.1 | Very high | 160 Ų | 160 | 94 Ų | 94 | 75% | 0.748 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -78.8 | -43.1 | 173.3 | -169 | 177.6 | -13.6 | 0 | 0 | 111.4 | M41 | M41-Q59 PolarHBondContact N-O 2.9Š|
| 60 | I | 96.8 | Very high | 94.9 | Very high | 83 Ų | 83 | 93 Ų | 93 | 43% | 0.426 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 135.8 | -173.4 | -52.6 | 178.2 | 0 | 0 | 0 | 110.1 | M41 V43 K62 | M41-I60 HydrophobicContact CB-CG1 4.49Å; M41-I60 CarbonylContact O-C 3.56Å; M41-I60 WeakPolarHBondContact O-CA 3.32Å; V43-I60 HydrophobicContact CG2-CG2 3.78Å; I60-K62 HydrophobicContact CG2-CG 4.19Å |
| 61 | I | 96.9 | Very high | 94.8 | Very high | 34 Ų | 34 | 91.8 Ų | 91.8 | 17% | 0.174 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.2 | 169.2 | -67.1 | 165.8 | 0 | 0 | 0 | 107.7 | V40 M41 M42 V43 F54 R58 L63 | V40-I61 HydrophobicContact CB-CD1 4.4Å; V40-I61 HydrophobicContact CG1-CB 4.34Å; V40-I61 HydrophobicContact CG1-CD1 3.66Å; V40-I61 HydrophobicContact CG1-CG1 3.7Å; M41-I61 PolarHBondContact O-N 2.9Å; M42-I61 CarbonylContact C-O 3.52Å; M42-I61 WeakPolarHBondContact CA-O 2.85Å; V43-I61 PolarHBondContact N-O 3.43Å; F54-I61 HydrophobicContact CB-CD1 4.34Å; F54-I61 HydrophobicContact CD1-CD1 3.81Å; F54-I61 HydrophobicContact CD2-CD1 3.98Å; F54-I61 HydrophobicContact CE1-CD1 4.07Å; F54-I61 HydrophobicContact CE2-CD1 4.22Å; F54-I61 HydrophobicContact CG-CD1 3.78Å; F54-I61 HydrophobicContact CZ-CD1 4.26Å; R58-I61 HydrophobicContact CB-CG1 4.46Å; I61-L63 HydrophobicContact CG2-CD2 4.47Å |
| 62 | K | 96.8 | Very high | 94.8 | Very high | 168 Ų | 168 | 91.2 Ų | 91.2 | 73% | 0.73 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 124 | 176.4 | -63.6 | -179.3 | 179.9 | 179.6 | 0 | 109.7 | V43 I60 | V43-K62 HydrophobicContact CB-CG 4.23Å; I60-K62 HydrophobicContact CG2-CG 4.19Å |
| 63 | L | 96 | Very high | 94.8 | Very high | 69 Ų | 69 | 91.2 Ų | 91.2 | 36% | 0.361 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 140.7 | 173.7 | -63 | -172 | 0 | 0 | 0 | 110.4 | M42 V43 L44 I61 | M42-L63 HydrophobicContact CG-CD1 4.39Å; M42-L63 HydrophobicContact CG-CG 4.25Å; M42-L63 HydrophobicContact SD-CD1 4.27Å; V43-L63 PolarHBondContact O-N 3.06Å; L44-L63 HydrophobicContact CD2-CD1 3.62Å; I61-L63 HydrophobicContact CG2-CD2 4.47Å |
| 64 | P | 95.7 | Very high | 94.7 | Very high | 112 Ų | 112 | 88.8 Ų | 88.8 | 73% | 0.727 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 150.3 | 175.3 | 30.8 | -34.3 | 0 | 0 | 0 | 110.8 | ||
| 65 | V | 92.9 | Very high | 94.6 | Very high | 56 Ų | 56 | 91 Ų | 91 | 34% | 0.339 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 127.4 | 167 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | P45 L70 | P45-V65 HydrophobicContact CB-CB 4.31Å; P45-V65 HydrophobicContact CB-CG2 3.79Å; V65-L70 HydrophobicContact CG1-CD1 3.91Å; V65-L70 HydrophobicContact CG1-CD2 4.14Å; V65-L70 HydrophobicContact CG1-CG 4.29Å |
| 66 | D | 93.2 | Very high | 94.4 | Very high | 82 Ų | 82 | 94.7 Ų | 94.7 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 134.7 | 171.1 | 172.2 | 38.3 | 0 | 0 | 0 | 110.4 | S68 S69 L70 | D66-S68 PolarHBondContact OD1-N 3.44Å; D66-S68 PolarHBondContact OD1-OG 2.84Å; D66-S68 PolarHBondContact OD2-OG 2.86Å; D66-S69 PolarHBondContact O-OG 3.25Å; D66-S69 PolarHBondContact OD2-N 3.4Å; D66-S69 PolarHBondContact OD2-OG 2.7Å; D66-L70 WeakPolarHBondContact O-CG 3.35Å |
| 67 | L | 91.1 | Very high | 94.3 | Very high | 45 Ų | 45 | 96.7 Ų | 96.7 | 24% | 0.236 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -86.5 | -18 | -177.3 | -65.1 | 176.7 | 0 | 0 | 0 | 113.1 | L70 | L67-L70 HydrophobicContact CD2-CD1 4.25Š|
| 68 | S | 91.4 | Very high | 94.1 | Very high | 97 Ų | 97 | 96.6 Ų | 96.6 | 68% | 0.678 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -79.4 | -28.9 | -176.1 | 77.1 | 0 | 0 | 0 | 0 | 112.8 | D66 | D66-S68 PolarHBondContact OD1-N 3.44Å; D66-S68 PolarHBondContact OD1-OG 2.84Å; D66-S68 PolarHBondContact OD2-OG 2.86Å |
| 69 | S | 91.2 | Very high | 94 | Very high | 91 Ų | 91 | 94 Ų | 94 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -84.7 | -11 | -178.9 | 42.2 | 0 | 0 | 0 | 0 | 114.7 | D66 | D66-S69 PolarHBondContact O-OG 3.25Å; D66-S69 PolarHBondContact OD2-N 3.4Å; D66-S69 PolarHBondContact OD2-OG 2.7Å |
| 70 | L | 91.1 | Very high | 93.8 | Very high | 37 Ų | 37 | 89.5 Ų | 89.5 | 19% | 0.194 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -82.1 | 154 | -178.1 | -63.1 | 174.7 | 0 | 0 | 0 | 112.4 | V65 D66 L67 R75 R78 | V65-L70 HydrophobicContact CG1-CD1 3.91Å; V65-L70 HydrophobicContact CG1-CD2 4.14Å; V65-L70 HydrophobicContact CG1-CG 4.29Å; D66-L70 WeakPolarHBondContact O-CG 3.35Å; L67-L70 HydrophobicContact CD2-CD1 4.25Å; L70-R75 HydrophobicContact CB-CB 4.47Å; L70-R78 VanDerWaalsContact CD2-NH1 3.28Å |
| 71 | S | 95 | Very high | 93.6 | Very high | 59 Ų | 59 | 89.3 Ų | 89.3 | 41% | 0.413 | 48% | 0.483 | S | S | . | . | trans | -60.9 | 150.7 | 167.2 | 71.1 | 0 | 0 | 0 | 0 | 110.9 | A73 E74 R75 | S71-A73 PolarHBondContact O-N 3.18Å; S71-E74 PolarHBondContact O-N 3.3Å; S71-E74 WeakPolarHBondContact OG-CB 3.45Å; S71-E74 WeakPolarHBondContact OG-CG 3.42Å; S71-E74 PolarHBondContact OG-N 3.2Å; S71-R75 VanDerWaalsContact O-CB 3.31Å; S71-R75 WeakPolarHBondContact O-CB 3.42Å; S71-R75 PolarHBondContact O-N 3.3Å | ||
| 72 | E | 94.3 | Very high | 93.3 | Very high | 140 Ų | 140 | 95.2 Ų | 95.2 | 65% | 0.654 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -36.3 | -178.7 | -65.4 | -172.5 | -172.9 | 0 | 0 | 112.7 | R75 R76 | E72-R75 PolarHBondContact O-N 3.35Å; E72-R76 VanDerWaalsContact O-CG 3.27Å; E72-R76 WeakPolarHBondContact O-CG 3.43Å; E72-R76 PolarHBondContact O-N 2.99Å; E72-R76 IonicContact OE2-NH2 3.5Å; E72-R76 PolarHBondContact OE2-NH2 3.39Å |
| 73 | A | 95.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 97.4 Ų | 97.4 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -55.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S71 R75 R76 E77 | S71-A73 PolarHBondContact O-N 3.18Å; A73-R75 VanDerWaalsContact C-N 3.26Å; A73-R75 PolarHBondContact O-N 3.44Å; A73-R76 PolarHBondContact O-N 3.12Å; A73-R76 VanDerWaalsContact O-N 3.12Å; A73-E77 WeakPolarHBondContact O-CG 3.43Å; A73-E77 PolarHBondContact O-N 2.98Å |
| 74 | E | 93.7 | Very high | 92.2 | Very high | 83 Ų | 83 | 99.1 Ų | 99.1 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 177.6 | -75.7 | -178.3 | -142.3 | 0 | 0 | 112.4 | S71 E77 R78 | S71-E74 PolarHBondContact O-N 3.3Å; S71-E74 WeakPolarHBondContact OG-CB 3.45Å; S71-E74 WeakPolarHBondContact OG-CG 3.42Å; S71-E74 PolarHBondContact OG-N 3.2Å; E74-E77 PolarHBondContact O-N 3.3Å; E74-R78 WeakPolarHBondContact O-CB 3.31Å; E74-R78 WeakPolarHBondContact O-CG 3.48Å; E74-R78 PolarHBondContact O-N 3.27Å; E74-R78 IonicContact OE2-CZ 3.83Å; E74-R78 IonicContact OE2-NH1 2.84Å; E74-R78 PolarHBondContact OE2-NH1 2.93Å; E74-R78 IonicContact OE2-NH2 3.93Å |
| 75 | R | 94.7 | Very high | 91.4 | Very high | 119 Ų | 119 | 100 Ų | 100 | 45% | 0.449 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 177 | -179.5 | 178.9 | 173.7 | -179.3 | -1.3 | 110.9 | L70 S71 E72 A73 L79 | L70-R75 HydrophobicContact CB-CB 4.47Å; S71-R75 VanDerWaalsContact O-CB 3.31Å; S71-R75 WeakPolarHBondContact O-CB 3.42Å; S71-R75 PolarHBondContact O-N 3.3Å; E72-R75 PolarHBondContact O-N 3.35Å; A73-R75 VanDerWaalsContact C-N 3.26Å; A73-R75 PolarHBondContact O-N 3.44Å; R75-L79 HydrophobicContact CG-CD1 4.11Å; R75-L79 WeakPolarHBondContact O-CB 3.23Å; R75-L79 VanDerWaalsContact O-CG 3.23Å; R75-L79 WeakPolarHBondContact O-CG 3.39Å; R75-L79 PolarHBondContact O-N 3.47Å |
| 76 | R | 93.1 | Very high | 90.6 | Very high | 171 Ų | 171 | 106.5 Ų | 106.5 | 65% | 0.645 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 177.2 | -73.9 | 174.2 | -169.6 | 177.2 | 8.8 | 111.5 | E72 A73 L79 A80 | E72-R76 VanDerWaalsContact O-CG 3.27Å; E72-R76 WeakPolarHBondContact O-CG 3.43Å; E72-R76 PolarHBondContact O-N 2.99Å; E72-R76 IonicContact OE2-NH2 3.5Å; E72-R76 PolarHBondContact OE2-NH2 3.39Å; A73-R76 PolarHBondContact O-N 3.12Å; A73-R76 VanDerWaalsContact O-N 3.12Å; R76-L79 PolarHBondContact O-N 3.28Å; R76-A80 WeakPolarHBondContact O-CB 3.5Å; R76-A80 PolarHBondContact O-N 3.41Å |
| 77 | E | 93.3 | Very high | 89.6 | Confident | 136 Ų | 136 | 112.3 Ų | 112.3 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.7 | -47.4 | 177.3 | -72 | 174.8 | -171.6 | 0 | 0 | 111.9 | A73 E74 L79 A80 A81 | A73-E77 WeakPolarHBondContact O-CG 3.43Å; A73-E77 PolarHBondContact O-N 2.98Å; E74-E77 PolarHBondContact O-N 3.3Å; E77-L79 VanDerWaalsContact C-N 3.32Å; E77-L79 PolarHBondContact O-N 3.49Å; E77-A80 PolarHBondContact O-N 2.93Å; E77-A81 WeakPolarHBondContact O-CB 3.27Å; E77-A81 PolarHBondContact O-N 3.01Å |
| 78 | R | 93.2 | Very high | 88.5 | Confident | 100 Ų | 100 | 118.7 Ų | 118.7 | 38% | 0.377 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.8 | -38.3 | 176.6 | -74.7 | -173.5 | 174.1 | 104.5 | -5.8 | 112.1 | L70 E74 A81 R82 | L70-R78 VanDerWaalsContact CD2-NH1 3.28Å; E74-R78 WeakPolarHBondContact O-CB 3.31Å; E74-R78 WeakPolarHBondContact O-CG 3.48Å; E74-R78 PolarHBondContact O-N 3.27Å; E74-R78 IonicContact OE2-CZ 3.83Å; E74-R78 IonicContact OE2-NH1 2.84Å; E74-R78 PolarHBondContact OE2-NH1 2.93Å; E74-R78 IonicContact OE2-NH2 3.93Å; R78-A81 PolarHBondContact O-N 3.24Å; R78-R82 WeakPolarHBondContact O-CG 3.41Å; R78-R82 PolarHBondContact O-N 2.89Å |
| 79 | L | 91.9 | Very high | 87.3 | Confident | 74 Ų | 74 | 118.3 Ų | 118.3 | 39% | 0.387 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.9 | -39.2 | 176.4 | -73 | 172.5 | 0 | 0 | 0 | 112.2 | R75 R76 E77 R82 | R75-L79 HydrophobicContact CG-CD1 4.11Å; R75-L79 WeakPolarHBondContact O-CB 3.23Å; R75-L79 VanDerWaalsContact O-CG 3.23Å; R75-L79 WeakPolarHBondContact O-CG 3.39Å; R75-L79 PolarHBondContact O-N 3.47Å; R76-L79 PolarHBondContact O-N 3.28Å; E77-L79 VanDerWaalsContact C-N 3.32Å; E77-L79 PolarHBondContact O-N 3.49Å; L79-R82 PolarHBondContact O-N 3.22Å |
| 80 | A | 92 | Very high | 86.2 | Confident | 65 Ų | 65 | 120 Ų | 120 | 54% | 0.537 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.6 | -42.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | R76 E77 R82 R83 | R76-A80 WeakPolarHBondContact O-CB 3.5Å; R76-A80 PolarHBondContact O-N 3.41Å; E77-A80 PolarHBondContact O-N 2.93Å; A80-R82 VanDerWaalsContact C-N 3.26Å; A80-R82 PolarHBondContact O-N 2.84Å; A80-R83 CarbonylContact O-C 3.27Å; A80-R83 VanDerWaalsContact O-C 3.27Å; A80-R83 PolarHBondContact O-N 3.43Å; A80-R83 VanDerWaalsContact O-N 3.12Å; A80-R83 VanDerWaalsContact O-O 3.13Å |
| 81 | A | 92.2 | Very high | 84.8 | Confident | 79 Ų | 79 | 123 Ų | 123 | 65% | 0.653 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.7 | -28.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E77 R78 R83 | E77-A81 WeakPolarHBondContact O-CB 3.27Å; E77-A81 PolarHBondContact O-N 3.01Å; R78-A81 PolarHBondContact O-N 3.24Å; A81-R83 VanDerWaalsContact C-N 3.28Å; A81-R83 PolarHBondContact O-N 3.12Å |
| 82 | R | 91.5 | Very high | 83.4 | Confident | 158 Ų | 158 | 127.6 Ų | 127.6 | 60% | 0.596 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.7 | -26.9 | 176.1 | -74.1 | 174.1 | -176.7 | -174 | -1.8 | 113.2 | R78 L79 A80 P84 | R78-R82 WeakPolarHBondContact O-CG 3.41Å; R78-R82 PolarHBondContact O-N 2.89Å; L79-R82 PolarHBondContact O-N 3.22Å; A80-R82 VanDerWaalsContact C-N 3.26Å; A80-R82 PolarHBondContact O-N 2.84Å; R82-P84 WeakPolarHBondContact O-CD 3.43Å |
| 83 | R | 87.1 | Confident | 81.9 | Confident | 214 Ų | 214 | 128 Ų | 128 | 81% | 0.808 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -123 | 74.6 | 179.3 | -67.3 | -177.1 | 179.7 | 176.8 | -0.1 | 107.8 | A80 A81 T85 | A80-R83 CarbonylContact O-C 3.27Å; A80-R83 VanDerWaalsContact O-C 3.27Å; A80-R83 PolarHBondContact O-N 3.43Å; A80-R83 VanDerWaalsContact O-N 3.12Å; A80-R83 VanDerWaalsContact O-O 3.13Å; A81-R83 VanDerWaalsContact C-N 3.28Å; A81-R83 PolarHBondContact O-N 3.12Å; R83-T85 PolarHBondContact O-N 3.32Å |
| 84 | P | 83.5 | Confident | 80.3 | Confident | 105 Ų | 105 | 130.4 Ų | 130.4 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 122 | 175.3 | 25.1 | -32.9 | 0 | 0 | 0 | 107.2 | R82 K86 | R82-P84 WeakPolarHBondContact O-CD 3.43Å; P84-K86 PolarHBondContact O-N 3.27Å; P84-K86 VanDerWaalsContact O-N 3.14Å |
| 85 | T | 77.8 | Confident | 79.1 | Confident | 129 Ų | 129 | 132.2 Ų | 132.2 | 79% | 0.791 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 126.8 | 173.6 | 40.1 | 0 | 0 | 0 | 0 | 106.7 | R83 K87 | R83-T85 PolarHBondContact O-N 3.32Å; T85-K87 PolarHBondContact O-N 2.9Å |
| 86 | K | 75.7 | Confident | 78.2 | Confident | 194 Ų | 194 | 131.5 Ų | 131.5 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 120.6 | 173.6 | -67.3 | 179.8 | -178.7 | 178.8 | 0 | 105 | P84 E88 | P84-K86 PolarHBondContact O-N 3.27Å; P84-K86 VanDerWaalsContact O-N 3.14Å; K86-E88 PolarHBondContact O-N 3.41Å |
| 87 | K | 72.5 | Confident | 77.6 | Confident | 203 Ų | 203 | 130.6 Ų | 130.6 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | trans | -60.6 | 103.8 | 165 | -64.9 | -177.2 | -177.9 | -178.3 | 0 | 103.6 | T85 A89 | T85-K87 PolarHBondContact O-N 2.9Å; K87-A89 PolarHBondContact O-N 3.14Å | ||
| 88 | E | 68.1 | Low | 77 | Confident | 179 Ų | 179 | 126.3 Ų | 126.3 | 84% | 0.836 | 68% | 0.683 | S | S | * | * | trans | -53.4 | 116.6 | 166 | -66 | -179 | 174.9 | 0 | 0 | 103.9 | K86 V90 | K86-E88 PolarHBondContact O-N 3.41Å; E88-V90 PolarHBondContact O-N 3.03Å | ||
| 89 | A | 66.5 | Low | 76.5 | Confident | 90 Ų | 90 | 125.9 Ų | 125.9 | 74% | 0.744 | 69% | 0.686 | S | S | * | * | trans | -51.8 | 118.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 104 | K87 S91 | K87-A89 PolarHBondContact O-N 3.14Å; A89-S91 PolarHBondContact O-N 3.5Å | ||
| 90 | V | 68.7 | Low | 76.1 | Confident | 127 Ų | 127 | 130.9 Ų | 130.9 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | trans | -43.5 | 113.5 | 175.1 | 174.3 | 0 | 0 | 0 | 0 | 104.7 | E88 D92 | E88-V90 PolarHBondContact O-N 3.03Å; V90-D92 PolarHBondContact O-N 2.97Å; V90-D92 VanDerWaalsContact O-N 3.16Å | ||
| 91 | S | 61.5 | Low | 75.7 | Confident | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | -48.3 | 129.6 | -177.1 | 40.7 | 0 | 0 | 0 | 0 | 106.9 | A89 I93 | A89-S91 PolarHBondContact O-N 3.5Å; S91-I93 PolarHBondContact O-N 2.99Å | ||
| 92 | D | 64.4 | Low | 75.3 | Confident | 155 Ų | 155 | 134.2 Ų | 134.2 | 83% | 0.829 | 69% | 0.694 | S | S | * | * | trans | -42.7 | 118.4 | 177.7 | -66.3 | -47.6 | 0 | 0 | 0 | 107 | V90 S94 | V90-D92 PolarHBondContact O-N 2.97Å; V90-D92 VanDerWaalsContact O-N 3.16Å; D92-S94 VanDerWaalsContact C-N 3.33Å; D92-S94 PolarHBondContact O-N 2.84Å | ||
| 93 | I | 63.4 | Low | 74.9 | Confident | 147 Ų | 147 | 128.4 Ų | 128.4 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | trans | -52.6 | 108.9 | 179.1 | -59 | 163.5 | 0 | 0 | 0 | 104.5 | S91 T95 | S91-I93 PolarHBondContact O-N 2.99Å; I93-T95 PolarHBondContact O-N 2.99Å | ||
| 94 | S | 62.1 | Low | 74.7 | Confident | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | trans | -65.8 | 90 | -178.7 | 168.2 | 0 | 0 | 0 | 0 | 107.1 | D92 S96 | D92-S94 VanDerWaalsContact C-N 3.33Å; D92-S94 PolarHBondContact O-N 2.84Å; S94-S96 VanDerWaalsContact C-N 3.33Å; S94-S96 PolarHBondContact O-N 3.09Å; S94-S96 VanDerWaalsContact O-N 3.07Å | ||
| 95 | T | 68.5 | Low | 74.8 | Confident | 122 Ų | 122 | 125.1 Ų | 125.1 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | trans | -74.6 | 96.5 | 166.7 | 55.1 | 0 | 0 | 0 | 0 | 105.6 | I93 Y97 | I93-T95 PolarHBondContact O-N 2.99Å; T95-Y97 PolarHBondContact O-N 2.84Å | ||
| 96 | S | 75.9 | Confident | 74.8 | Confident | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | trans | -57.1 | 104.8 | 171.3 | 50.9 | 0 | 0 | 0 | 0 | 108.7 | S94 S98 | S94-S96 VanDerWaalsContact C-N 3.33Å; S94-S96 PolarHBondContact O-N 3.09Å; S94-S96 VanDerWaalsContact O-N 3.07Å; S96-S98 PolarHBondContact O-N 3.16Å | ||
| 97 | Y | 79.4 | Confident | 74.9 | Confident | 152 Ų | 152 | 125.9 Ų | 125.9 | 60% | 0.596 | 65% | 0.654 | S | S | * | * | trans | -67.6 | 118.9 | 177.6 | 171 | -99.7 | 0 | 0 | 0 | 108.8 | T95 H99 Y102 | T95-Y97 PolarHBondContact O-N 2.84Å; Y97-H99 HydrophobicContact CE1-CB 4.42Å; Y97-Y102 HydrophobicContact CD2-CD2 4.03Å; Y97-Y102 AromaticContact CD2-CE2 3.72Å; Y97-Y102 HydrophobicContact CD2-CE2 3.72Å; Y97-Y102 AromaticContact CE2-CD2 3.49Å; Y97-Y102 HydrophobicContact CE2-CD2 3.49Å; Y97-Y102 VanDerWaalsContact CE2-CD2 3.49Å; Y97-Y102 AromaticContact CE2-CE2 3.64Å; Y97-Y102 HydrophobicContact CE2-CE2 3.64Å; Y97-Y102 HydrophobicContact CE2-CG 4.44Å | ||
| 98 | S | 81.7 | Confident | 74.7 | Confident | 46 Ų | 46 | 125.5 Ų | 125.5 | 32% | 0.322 | 65% | 0.652 | S | S | . | * | trans | -116.1 | 120.8 | 169.5 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | S96 K100 N101 | S96-S98 PolarHBondContact O-N 3.16Å; S98-K100 PolarHBondContact O-N 2.74Å; S98-K100 VanDerWaalsContact O-N 3.08Å; S98-N101 WeakPolarHBondContact O-CB 3.48Å; S98-N101 PolarHBondContact O-N 2.94Å | ||
| 99 | H | 81.2 | Confident | 74.3 | Confident | 91 Ų | 91 | 123.9 Ų | 123.9 | 42% | 0.421 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -54.8 | -28.9 | 177.3 | 175.1 | 51.1 | 0 | 0 | 0 | 112.5 | Y97 N101 Y102 A103 W106 | Y97-H99 HydrophobicContact CE1-CB 4.42Å; H99-N101 PolarHBondContact O-N 2.76Å; H99-Y102 PolarHBondContact O-N 2.97Å; H99-Y102 VanDerWaalsContact O-N 3.09Å; H99-A103 PolarHBondContact O-N 3.25Å; H99-A103 VanDerWaalsContact O-N 3.11Å; H99-W106 AromaticContact CE1-CE3 3.56Å; H99-W106 AromaticContact CE1-CH2 3.86Å; H99-W106 AromaticContact CE1-CZ3 3.08Å; H99-W106 WeakPolarHBondContact CE1-CZ3 3.47Å; H99-W106 AromaticContact ND1-CH2 3.99Å; H99-W106 AromaticContact ND1-CZ3 3.65Å |
| 100 | K | 83.7 | Confident | 73.8 | Confident | 179 Ų | 179 | 125.6 Ų | 125.6 | 78% | 0.778 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -57.9 | -35.9 | 177 | -64 | -177.5 | -179.2 | 178.7 | 0 | 112.8 | S98 Y102 | S98-K100 PolarHBondContact O-N 2.74Å; S98-K100 VanDerWaalsContact O-N 3.08Å; K100-Y102 PolarHBondContact O-N 2.95Å |
| 101 | N | 84 | Confident | 73.1 | Confident | 105 Ų | 105 | 128 Ų | 128 | 56% | 0.561 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -69.8 | -20 | -178.3 | -64.2 | -13.1 | 0 | 0 | 0 | 112.4 | S98 H99 F104 | S98-N101 WeakPolarHBondContact O-CB 3.48Å; S98-N101 PolarHBondContact O-N 2.94Å; H99-N101 PolarHBondContact O-N 2.76Å; N101-F104 WeakPolarHBondContact O-CD1 3.36Å; N101-F104 WeakPolarHBondContact O-CE1 3.43Å |
| 102 | Y | 84.2 | Confident | 72.7 | Confident | 108 Ų | 108 | 128.8 Ų | 128.8 | 42% | 0.424 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -115 | -0.1 | -175.5 | -59.6 | -78.1 | 0 | 0 | 0 | 113.4 | Y97 H99 K100 F104 L105 | Y97-Y102 HydrophobicContact CD2-CD2 4.03Å; Y97-Y102 AromaticContact CD2-CE2 3.72Å; Y97-Y102 HydrophobicContact CD2-CE2 3.72Å; Y97-Y102 AromaticContact CE2-CD2 3.49Å; Y97-Y102 HydrophobicContact CE2-CD2 3.49Å; Y97-Y102 VanDerWaalsContact CE2-CD2 3.49Å; Y97-Y102 AromaticContact CE2-CE2 3.64Å; Y97-Y102 HydrophobicContact CE2-CE2 3.64Å; Y97-Y102 HydrophobicContact CE2-CG 4.44Å; H99-Y102 PolarHBondContact O-N 2.97Å; H99-Y102 VanDerWaalsContact O-N 3.09Å; K100-Y102 PolarHBondContact O-N 2.95Å; Y102-F104 PolarHBondContact O-N 3.07Å; Y102-L105 HydrophobicContact CD1-CD1 4.15Å; Y102-L105 WeakPolarHBondContact O-CB 3.48Å; Y102-L105 PolarHBondContact O-N 3.24Å |
| 103 | A | 83.1 | Confident | 71.5 | Confident | 36 Ų | 36 | 126.9 Ų | 126.9 | 30% | 0.298 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | -59.9 | -21.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | H99 L105 | H99-A103 PolarHBondContact O-N 3.25Å; H99-A103 VanDerWaalsContact O-N 3.11Å; A103-L105 VanDerWaalsContact C-N 3.25Å; A103-L105 PolarHBondContact O-N 3.04Å |
| 104 | F | 83.8 | Confident | 71.1 | Confident | 144 Ų | 144 | 128.9 Ų | 128.9 | 63% | 0.632 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -67.2 | -24.9 | 176.8 | 74.6 | -87.3 | 0 | 0 | 0 | 113.1 | N101 Y102 W106 | N101-F104 WeakPolarHBondContact O-CD1 3.36Å; N101-F104 WeakPolarHBondContact O-CE1 3.43Å; Y102-F104 PolarHBondContact O-N 3.07Å; F104-W106 VanDerWaalsContact C-N 3.27Å; F104-W106 PolarHBondContact O-N 2.89Å |
| 105 | L | 83.8 | Confident | 70.3 | Confident | 106 Ų | 106 | 132 Ų | 132 | 56% | 0.555 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -73.1 | -17.8 | -175.9 | -66 | 172 | 0 | 0 | 0 | 113.6 | Y102 A103 | Y102-L105 HydrophobicContact CD1-CD1 4.15Å; Y102-L105 WeakPolarHBondContact O-CB 3.48Å; Y102-L105 PolarHBondContact O-N 3.24Å; A103-L105 VanDerWaalsContact C-N 3.25Å; A103-L105 PolarHBondContact O-N 3.04Å |
| 106 | W | 78.5 | Confident | 69.7 | Low | 177 Ų | 177 | 132.1 Ų | 132.1 | 67% | 0.67 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -112.9 | -1.1 | -175 | -56.3 | -25.5 | 0 | 0 | 0 | 113.9 | H99 F104 K108 | H99-W106 AromaticContact CE1-CE3 3.56Å; H99-W106 AromaticContact CE1-CH2 3.86Å; H99-W106 AromaticContact CE1-CZ3 3.08Å; H99-W106 WeakPolarHBondContact CE1-CZ3 3.47Å; H99-W106 AromaticContact ND1-CH2 3.99Å; H99-W106 AromaticContact ND1-CZ3 3.65Å; F104-W106 VanDerWaalsContact C-N 3.27Å; F104-W106 PolarHBondContact O-N 2.89Å; W106-K108 PolarHBondContact O-N 3.34Å; W106-K108 VanDerWaalsContact O-N 3.16Å |
| 107 | K | 77.2 | Confident | 68.1 | Low | 163 Ų | 163 | 135.2 Ų | 135.2 | 71% | 0.709 | 66% | 0.658 | S | S | * | * | trans | -76.3 | 103.8 | 167.3 | -71.2 | -168.6 | -179.6 | -174.3 | 0 | 107.6 | D109 | K107-D109 PolarHBondContact O-N 3.4Š| ||
| 108 | K | 69 | Low | 66.9 | Low | 195 Ų | 195 | 135.8 Ų | 135.8 | 85% | 0.848 | 67% | 0.671 | S | S | * | * | trans | -60.6 | 122.6 | 166.6 | -69 | -178.3 | 177.1 | 176.4 | 0 | 107.4 | W106 T110 | W106-K108 PolarHBondContact O-N 3.34Å; W106-K108 VanDerWaalsContact O-N 3.16Å; K108-T110 PolarHBondContact O-N 3.05Å | ||
| 109 | D | 60.2 | Low | 65.6 | Low | 145 Ų | 145 | 138 Ų | 138 | 78% | 0.775 | 68% | 0.683 | S | S | * | * | trans | -58.1 | 99.8 | 173.5 | -67.7 | -48.7 | 0 | 0 | 0 | 109 | K107 H111 | K107-D109 PolarHBondContact O-N 3.4Å; D109-H111 PolarHBondContact O-N 3.04Å | ||
| 110 | T | 56 | Low | 64.1 | Low | 126 Ų | 126 | 139.2 Ų | 139.2 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | -64.9 | 96.5 | 156.4 | 49.3 | 0 | 0 | 0 | 0 | 105.6 | K108 V112 | K108-T110 PolarHBondContact O-N 3.05Å; T110-V112 VanDerWaalsContact C-N 3.33Å; T110-V112 PolarHBondContact O-N 3.11Å | ||
| 111 | H | 53.1 | Low | 62.4 | Low | 177 Ų | 177 | 139.4 Ų | 139.4 | 82% | 0.819 | 70% | 0.702 | S | S | * | * | trans | -46.8 | 94.9 | 170.4 | -91 | -93.2 | 0 | 0 | 0 | 110.3 | D109 | D109-H111 PolarHBondContact O-N 3.04Š| ||
| 112 | V | 53.5 | Low | 61.2 | Low | 117 Ų | 117 | 139.9 Ų | 139.9 | 71% | 0.709 | 71% | 0.709 | S | S | * | * | trans | -121.4 | 89.7 | 157.9 | -175.1 | 0 | 0 | 0 | 0 | 105.9 | T110 K114 | T110-V112 VanDerWaalsContact C-N 3.33Å; T110-V112 PolarHBondContact O-N 3.11Å; V112-K114 PolarHBondContact O-N 3.09Å | ||
| 113 | S | 39.2 | Very low | 59.6 | Low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | -15.7 | 97 | 162.8 | -42.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 114 | K | 55.8 | Low | 58.2 | Low | 189 Ų | 189 | 147 Ų | 147 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -110.4 | 94.6 | 154.8 | -73.1 | -174 | -178.6 | 177.6 | 0 | 107.3 | V112 V116 | V112-K114 PolarHBondContact O-N 3.09Å; K114-V116 PolarHBondContact O-N 3.29Å | ||
| 115 | H | 45.1 | Very low | 57.3 | Low | 177 Ų | 177 | 146.5 Ų | 146.5 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | trans | -50.2 | 100 | 168.2 | -154.2 | -82.6 | 0 | 0 | 0 | 108.5 | ||||
| 116 | V | 56.1 | Low | 56.1 | Low | 123 Ų | 123 | 144.4 Ų | 144.4 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | trans | -116.9 | 101.2 | 164.2 | -175.2 | 0 | 0 | 0 | 0 | 106.4 | K114 L118 | K114-V116 PolarHBondContact O-N 3.29Å; V116-L118 PolarHBondContact O-N 3.08Å; V116-L118 VanDerWaalsContact O-N 3.09Å | ||
| 117 | F | 40.7 | Very low | 55 | Low | 170 Ų | 170 | 145 Ų | 145 | 75% | 0.746 | 77% | 0.771 | S | S | * | * | trans | -40.7 | 100.9 | 171.9 | -168.4 | -100.4 | 0 | 0 | 0 | 111.4 | P119 | F117-P119 WeakPolarHBondContact O-CD 3.08Š| ||
| 118 | L | 54.5 | Low | 53.9 | Low | 164 Ų | 164 | 152.3 Ų | 152.3 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -81.5 | 116.6 | 162.6 | -88.5 | 139.5 | 0 | 0 | 0 | 107.3 | V116 C120 | V116-L118 PolarHBondContact O-N 3.08Å; V116-L118 VanDerWaalsContact O-N 3.09Å; L118-C120 PolarHBondContact O-N 2.79Å | ||
| 119 | P | 53.9 | Low | 53.2 | Low | 91 Ų | 91 | 150.2 Ų | 150.2 | 59% | 0.591 | 79% | 0.791 | S | S | * | * | trans | -66.1 | 132 | 175.5 | 26.5 | -30.8 | 0 | 0 | 0 | 109.4 | F117 F121 | F117-P119 WeakPolarHBondContact O-CD 3.08Å; P119-F121 PolarHBondContact O-N 2.85Å | ||
| 120 | C | 51.1 | Low | 52.8 | Low | 117 Ų | 117 | 150.4 Ų | 150.4 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -62.2 | 91.7 | 174.9 | -164.5 | 0 | 0 | 0 | 0 | 109.3 | L118 T122 | L118-C120 PolarHBondContact O-N 2.79Å; C120-T122 PolarHBondContact O-N 3.16Å | ||
| 121 | F | 48.2 | Very low | 52.6 | Low | 184 Ų | 184 | 151.8 Ų | 151.8 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -86.7 | 89.6 | 166.9 | -123.7 | -92.9 | 0 | 0 | 0 | 107.8 | P119 W123 | P119-F121 PolarHBondContact O-N 2.85Å; F121-W123 PolarHBondContact O-N 3.27Å | ||
| 122 | T | 58.6 | Low | 52.6 | Low | 115 Ų | 115 | 150.3 Ų | 150.3 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -61.2 | 111.1 | 164.1 | 49.1 | 0 | 0 | 0 | 0 | 108.4 | C120 | C120-T122 PolarHBondContact O-N 3.16Š| ||
| 123 | W | 50.6 | Low | 52.5 | Low | 216 Ų | 216 | 152.4 Ų | 152.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -104.6 | 101.1 | 161.5 | -131.1 | 49.2 | 0 | 0 | 0 | 107.5 | F121 I125 | F121-W123 PolarHBondContact O-N 3.27Å; W123-I125 HydrophobicContact CE3-CD1 3.81Å; W123-I125 HydrophobicContact CE3-CG1 4.46Å; W123-I125 HydrophobicContact CZ3-CD1 3.85Å; W123-I125 PolarHBondContact O-N 3.02Å | ||
| 124 | G | 54.3 | Low | 53.4 | Low | 76 Ų | 76 | 154.9 Ų | 154.9 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -69.8 | 119.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 125 | I | 63.2 | Low | 53.3 | Low | 134 Ų | 134 | 152.5 Ų | 152.5 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | trans | -145.6 | 100.2 | 159.9 | -59.3 | 175.7 | 0 | 0 | 0 | 101.9 | W123 | W123-I125 HydrophobicContact CE3-CD1 3.81Å; W123-I125 HydrophobicContact CE3-CG1 4.46Å; W123-I125 HydrophobicContact CZ3-CD1 3.85Å; W123-I125 PolarHBondContact O-N 3.02Å | ||
| 126 | G | 60.2 | Low | 53.9 | Low | 63 Ų | 63 | 150.6 Ų | 150.6 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | cis | 76.5 | 80.8 | 49.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 127 | M | 54.9 | Low | 53.7 | Low | 189 Ų | 189 | 152.9 Ų | 152.9 | 93% | 0.931 | 80% | 0.797 | S | S | * | * | trans | 170.2 | 120.8 | 138.8 | -94.9 | 180 | 177.8 | 0 | 0 | 112.8 | ||||
| 128 | R | 54.3 | Low | 54.9 | Low | 316 Ų | 316 | 151.4 Ų | 151.4 | 100% | 1.192 | 80% | 0.801 | S | S | * | * | trans | 83.8 | 0 | 150.7 | -153.5 | 173.4 | -72.1 | -130.4 | 0.4 | 118.8 |
Retrieved 128 of 128 residues in 64.7 ms
(Link to these results)