| 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 | 58.7 | Low | 80.8 | Confident | 171 Ų | 171 | 117 Ų | 117 | 84% | 0.842 | 63% | 0.633 | S | S | * | * | 0 | 133.5 | 0 | -69.9 | -178.7 | -175.9 | 0 | 0 | 108.5 | N3 P8 | M1-N3 PolarHBondContact O-N 3.41Å; M1-P8 HydrophobicContact CE-CB 3.6Å; M1-P8 HydrophobicContact CE-CG 4.41Å | |||
| 2 | Y | 65.1 | Low | 81.6 | Confident | 186 Ų | 186 | 114.5 Ų | 114.5 | 73% | 0.729 | 66% | 0.655 | S | S | * | * | B | Isolated β-bridge | trans | -81.9 | 112.2 | -177.8 | -151.3 | -100.1 | 0 | 0 | 0 | 107.9 | G4 I5 | Y2-G4 PolarHBondContact O-N 3.12Å; Y2-I5 WeakPolarHBondContact O-CG1 3.47Å; Y2-I5 PolarHBondContact O-N 2.87Å |
| 3 | N | 82.3 | Confident | 82 | Confident | 143 Ų | 143 | 109.2 Ų | 109.2 | 77% | 0.765 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.2 | 35.7 | 177 | -60.5 | -21.3 | 0 | 0 | 0 | 116.1 | M1 I5 | M1-N3 PolarHBondContact O-N 3.41Å; N3-I5 HydrophobicContact CB-CG1 4.4Å; N3-I5 PolarHBondContact O-N 3.4Å |
| 4 | G | 84.8 | Confident | 82.6 | Confident | 69 Ų | 69 | 107.3 Ų | 107.3 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.1 | 10.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y2 | Y2-G4 PolarHBondContact O-N 3.12Š|
| 5 | I | 82 | Confident | 83 | Confident | 98 Ų | 98 | 106 Ų | 106 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | B | Isolated β-bridge | trans | -111.1 | 144.9 | 178.5 | 52.1 | 167.3 | 0 | 0 | 0 | 111.4 | Y2 N3 | Y2-I5 WeakPolarHBondContact O-CG1 3.47Å; Y2-I5 PolarHBondContact O-N 2.87Å; N3-I5 HydrophobicContact CB-CG1 4.4Å; N3-I5 PolarHBondContact O-N 3.4Å |
| 6 | G | 85.9 | Confident | 83.4 | Confident | 45 Ų | 45 | 107.8 Ų | 107.8 | 46% | 0.464 | 64% | 0.643 | S | S | . | * | S | Bend | trans | 98.7 | -172.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 7 | L | 85.4 | Confident | 83.7 | Confident | 96 Ų | 96 | 103.1 Ų | 103.1 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | trans | -89.8 | 147.8 | 179.9 | -64.4 | 175.1 | 0 | 0 | 0 | 111.7 | T9 | L7-T9 VanDerWaalsContact C-N 3.33Š| ||
| 8 | P | 86.8 | Confident | 84 | Confident | 98 Ų | 98 | 107.2 Ų | 107.2 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -61.8 | -41 | 171.9 | 21 | -29.7 | 0 | 0 | 0 | 112 | M1 | M1-P8 HydrophobicContact CE-CB 3.6Å; M1-P8 HydrophobicContact CE-CG 4.41Å |
| 9 | T | 85.5 | Confident | 84.3 | Confident | 78 Ų | 78 | 105.8 Ų | 105.8 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | trans | -144.4 | 142 | 175.1 | 100.6 | 0 | 0 | 0 | 0 | 109.1 | L7 R11 | L7-T9 VanDerWaalsContact C-N 3.33Å; T9-R11 VanDerWaalsContact C-N 3.26Å; T9-R11 PolarHBondContact O-N 3.02Å; T9-R11 PolarHBondContact OG1-N 3.14Å; T9-R11 PolarHBondContact OG1-O 3.14Å | ||
| 10 | P | 82.8 | Confident | 84.6 | Confident | 71 Ų | 71 | 107.5 Ų | 107.5 | 46% | 0.461 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -75.6 | -14 | 174.6 | 29.6 | -33.3 | 0 | 0 | 0 | 112.9 | G12 S13 | P10-G12 PolarHBondContact O-N 3.14Å; P10-S13 WeakPolarHBondContact O-CB 3.36Å; P10-S13 PolarHBondContact O-N 2.97Å; P10-S13 VanDerWaalsContact O-N 3.17Å; P10-S13 PolarHBondContact O-OG 2.9Å |
| 11 | R | 89.8 | Confident | 84.9 | Confident | 232 Ų | 232 | 111.6 Ų | 111.6 | 88% | 0.875 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 129.1 | -179.3 | -169.7 | 175.8 | -179 | 127.2 | -0.8 | 110 | T9 S13 | T9-R11 VanDerWaalsContact C-N 3.26Å; T9-R11 PolarHBondContact O-N 3.02Å; T9-R11 PolarHBondContact OG1-N 3.14Å; T9-R11 PolarHBondContact OG1-O 3.14Å; R11-S13 VanDerWaalsContact C-N 3.29Å; R11-S13 PolarHBondContact O-N 3.42Å |
| 12 | G | 90.1 | Very high | 86.3 | Confident | 87 Ų | 87 | 108.2 Ų | 108.2 | 90% | 0.897 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.3 | -8.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P10 | P10-G12 PolarHBondContact O-N 3.14Š|
| 13 | S | 86.9 | Confident | 87.4 | Confident | 46 Ų | 46 | 104.8 Ų | 104.8 | 32% | 0.322 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.8 | -13.3 | 176.6 | 75.8 | 0 | 0 | 0 | 0 | 114.1 | P10 R11 T15 | P10-S13 WeakPolarHBondContact O-CB 3.36Å; P10-S13 PolarHBondContact O-N 2.97Å; P10-S13 VanDerWaalsContact O-N 3.17Å; P10-S13 PolarHBondContact O-OG 2.9Å; R11-S13 VanDerWaalsContact C-N 3.29Å; R11-S13 PolarHBondContact O-N 3.42Å; S13-T15 PolarHBondContact O-N 3.18Å; S13-T15 PolarHBondContact OG-N 3.12Å; S13-T15 PolarHBondContact OG-OG1 2.99Å; S13-T15 VanDerWaalsContact OG-OG1 3.13Å |
| 14 | G | 90.9 | Very high | 87.6 | Confident | 82 Ų | 82 | 102.7 Ų | 102.7 | 85% | 0.845 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.5 | 9.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 15 | T | 88.5 | Confident | 87.7 | Confident | 88 Ų | 88 | 105 Ų | 105 | 54% | 0.54 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -130 | 170.8 | 179.6 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | S13 G17 | S13-T15 PolarHBondContact O-N 3.18Å; S13-T15 PolarHBondContact OG-N 3.12Å; S13-T15 PolarHBondContact OG-OG1 2.99Å; S13-T15 VanDerWaalsContact OG-OG1 3.13Å; T15-G17 PolarHBondContact O-N 3.41Å; T15-G17 PolarHBondContact OG1-N 3.37Å |
| 16 | N | 89.5 | Confident | 87.6 | Confident | 134 Ų | 134 | 106.5 Ų | 106.5 | 72% | 0.717 | 61% | 0.611 | S | S | * | * | trans | -76.9 | -4.7 | 176.1 | 64.2 | -3.2 | 0 | 0 | 0 | 114 | Y18 | N16-Y18 VanDerWaalsContact C-N 3.33Å; N16-Y18 PolarHBondContact O-N 3.5Å; N16-Y18 WeakPolarHBondContact OD1-CB 3.48Å; N16-Y18 PolarHBondContact OD1-N 3.01Å | ||
| 17 | G | 87.7 | Confident | 87.2 | Confident | 29 Ų | 29 | 114.7 Ų | 114.7 | 30% | 0.299 | 63% | 0.628 | S | S | . | * | trans | 72.7 | 18.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T15 | T15-G17 PolarHBondContact O-N 3.41Å; T15-G17 PolarHBondContact OG1-N 3.37Å | ||
| 18 | Y | 90.3 | Very high | 86.3 | Confident | 176 Ų | 176 | 113.1 Ų | 113.1 | 69% | 0.69 | 64% | 0.635 | S | S | * | * | trans | -72 | 126.4 | 178.8 | -175 | -106 | 0 | 0 | 0 | 111.8 | N16 Q20 | N16-Y18 VanDerWaalsContact C-N 3.33Å; N16-Y18 PolarHBondContact O-N 3.5Å; N16-Y18 WeakPolarHBondContact OD1-CB 3.48Å; N16-Y18 PolarHBondContact OD1-N 3.01Å; Y18-Q20 HydrophobicContact CE1-CB 4.3Å | ||
| 19 | V | 89.7 | Confident | 85.2 | Confident | 81 Ų | 81 | 117.3 Ų | 117.3 | 49% | 0.491 | 64% | 0.638 | S | S | . | * | trans | -111.6 | 119.4 | -178.3 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 20 | Q | 89.8 | Confident | 83.8 | Confident | 140 Ų | 140 | 125.8 Ų | 125.8 | 65% | 0.654 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 141.4 | 175.7 | -172.5 | 175.8 | -15.1 | 0 | 0 | 110.8 | Y18 | Y18-Q20 HydrophobicContact CE1-CB 4.3Š|
| 21 | R | 89.6 | Confident | 82.6 | Confident | 194 Ų | 194 | 125.9 Ų | 125.9 | 73% | 0.732 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 138.6 | 170.7 | 70.3 | -177.5 | -178.4 | 104.1 | -3.3 | 110.4 | L23 | R21-L23 HydrophobicContact CG-CD2 4.08Å; R21-L23 VanDerWaalsContact NH2-CD2 3.32Å; R21-L23 PolarHBondContact O-N 3.23Å |
| 22 | N | 88.4 | Confident | 81.1 | Confident | 99 Ų | 99 | 120.5 Ų | 120.5 | 53% | 0.529 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -70.7 | 118.6 | 171.4 | -172.8 | -9.1 | 0 | 0 | 0 | 110 | S24 L25 | N22-S24 PolarHBondContact OD1-N 3.05Å; N22-S24 PolarHBondContact OD1-OG 3.29Å; N22-L25 HydrophobicContact CB-CB 4.04Å; N22-L25 PolarHBondContact OD1-N 3.38Å |
| 23 | L | 88.3 | Confident | 79.7 | Confident | 114 Ų | 114 | 126.6 Ų | 126.6 | 60% | 0.597 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -82.3 | -24.1 | 177.8 | -62.9 | -178.7 | 0 | 0 | 0 | 113.4 | R21 | R21-L23 HydrophobicContact CG-CD2 4.08Å; R21-L23 VanDerWaalsContact NH2-CD2 3.32Å; R21-L23 PolarHBondContact O-N 3.23Å |
| 24 | S | 88 | Confident | 78.5 | Confident | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -89.8 | -3.2 | 179 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | N22 V26 | N22-S24 PolarHBondContact OD1-N 3.05Å; N22-S24 PolarHBondContact OD1-OG 3.29Å; S24-V26 PolarHBondContact O-N 3.46Å |
| 25 | L | 85.2 | Confident | 77.1 | Confident | 116 Ų | 116 | 132 Ų | 132 | 61% | 0.607 | 67% | 0.666 | S | S | * | * | trans | -69.3 | 100 | 173.3 | -177.4 | 68.5 | 0 | 0 | 0 | 109.8 | N22 R27 | N22-L25 HydrophobicContact CB-CB 4.04Å; N22-L25 PolarHBondContact OD1-N 3.38Å; L25-R27 PolarHBondContact O-N 3.39Å; L25-R27 VanDerWaalsContact O-N 3.08Å | ||
| 26 | V | 81.2 | Confident | 75.9 | Confident | 130 Ų | 130 | 137.1 Ų | 137.1 | 79% | 0.788 | 68% | 0.676 | S | S | * | * | trans | -67.8 | 106.8 | 168.6 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | S24 G28 | S24-V26 PolarHBondContact O-N 3.46Å; V26-G28 PolarHBondContact O-N 3.21Å; V26-G28 VanDerWaalsContact O-N 3.12Å | ||
| 27 | R | 77.3 | Confident | 75 | Confident | 218 Ų | 218 | 135.2 Ų | 135.2 | 82% | 0.823 | 66% | 0.662 | S | S | * | * | trans | -61.9 | 117.9 | 170.7 | -67.6 | -177.1 | 179.2 | 176.7 | -1 | 107 | L25 R29 | L25-R27 PolarHBondContact O-N 3.39Å; L25-R27 VanDerWaalsContact O-N 3.08Å; R27-R29 PolarHBondContact O-N 3.44Å; R27-R29 VanDerWaalsContact O-N 3.12Å | ||
| 28 | G | 66.6 | Low | 74.5 | Confident | 63 Ų | 63 | 135.9 Ų | 135.9 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | trans | -54.2 | 122.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | V26 R30 | V26-G28 PolarHBondContact O-N 3.21Å; V26-G28 VanDerWaalsContact O-N 3.12Å; G28-R30 PolarHBondContact O-N 2.84Å | ||
| 29 | R | 63.8 | Low | 73.8 | Confident | 186 Ų | 186 | 134.5 Ų | 134.5 | 70% | 0.702 | 67% | 0.669 | S | S | * | * | trans | -63.6 | 81.5 | 174.7 | -71.5 | 174.3 | 176.3 | -127.8 | 10 | 108.2 | R27 G31 E32 | R27-R29 PolarHBondContact O-N 3.44Å; R27-R29 VanDerWaalsContact O-N 3.12Å; R29-G31 VanDerWaalsContact C-N 3.33Å; R29-G31 PolarHBondContact O-N 2.94Å; R29-E32 HydrophobicContact CB-CB 4.16Å; R29-E32 WeakPolarHBondContact CD-OE2 3.36Å; R29-E32 VanDerWaalsContact CG-OE2 3.22Å; R29-E32 WeakPolarHBondContact CG-OE2 3.48Å; R29-E32 IonicContact CZ-OE2 3.28Å; R29-E32 VanDerWaalsContact CZ-OE2 3.28Å; R29-E32 IonicContact NE-OE2 3.34Å; R29-E32 PolarHBondContact NE-OE2 2.85Å; R29-E32 IonicContact NH1-OE1 3.12Å; R29-E32 PolarHBondContact NH1-OE1 2.94Å; R29-E32 VanDerWaalsContact NH1-OE1 3.12Å; R29-E32 IonicContact NH1-OE2 2.67Å; R29-E32 PolarHBondContact NH1-OE2 3.25Å | ||
| 30 | R | 56.3 | Low | 73 | Confident | 256 Ų | 256 | 138.6 Ų | 138.6 | 97% | 0.966 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -72 | 95 | 168.8 | -72.9 | -168.5 | -162.7 | -173 | 5 | 106.7 | G28 | G28-R30 PolarHBondContact O-N 2.84Š|
| 31 | G | 56.8 | Low | 72.5 | Confident | 72 Ų | 72 | 136.1 Ų | 136.1 | 74% | 0.742 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 132.7 | -26.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R29 R33 | R29-G31 VanDerWaalsContact C-N 3.33Å; R29-G31 PolarHBondContact O-N 2.94Å; G31-R33 VanDerWaalsContact C-N 3.31Å; G31-R33 PolarHBondContact O-N 3.33Å; G31-R33 VanDerWaalsContact O-N 3.07Å |
| 32 | E | 58.8 | Low | 72 | Confident | 119 Ų | 119 | 131.5 Ų | 131.5 | 56% | 0.556 | 66% | 0.66 | S | S | * | * | trans | -87.2 | 82.3 | 171.2 | -69.8 | 167 | 134.1 | 0 | 0 | 108.1 | R29 | R29-E32 HydrophobicContact CB-CB 4.16Å; R29-E32 WeakPolarHBondContact CD-OE2 3.36Å; R29-E32 VanDerWaalsContact CG-OE2 3.22Å; R29-E32 WeakPolarHBondContact CG-OE2 3.48Å; R29-E32 IonicContact CZ-OE2 3.28Å; R29-E32 VanDerWaalsContact CZ-OE2 3.28Å; R29-E32 IonicContact NE-OE2 3.34Å; R29-E32 PolarHBondContact NE-OE2 2.85Å; R29-E32 IonicContact NH1-OE1 3.12Å; R29-E32 PolarHBondContact NH1-OE1 2.94Å; R29-E32 VanDerWaalsContact NH1-OE1 3.12Å; R29-E32 IonicContact NH1-OE2 2.67Å; R29-E32 PolarHBondContact NH1-OE2 3.25Å | ||
| 33 | R | 61 | Low | 71.5 | Confident | 216 Ų | 216 | 134.8 Ų | 134.8 | 82% | 0.815 | 67% | 0.665 | S | S | * | * | trans | -53.3 | 138 | 145.9 | -65.6 | 178.5 | 178.7 | 179.9 | -1.2 | 105.4 | G31 D35 | G31-R33 VanDerWaalsContact C-N 3.31Å; G31-R33 PolarHBondContact O-N 3.33Å; G31-R33 VanDerWaalsContact O-N 3.07Å; R33-D35 PolarHBondContact O-N 3.36Å; R33-D35 VanDerWaalsContact O-N 3.16Å | ||
| 34 | P | 60.6 | Low | 71 | Confident | 80 Ų | 80 | 135.9 Ų | 135.9 | 52% | 0.519 | 67% | 0.667 | S | S | . | * | trans | -50.5 | 130.7 | 162.8 | -15.8 | 28.2 | 0 | 0 | 0 | 105.7 | Y36 | P34-Y36 HydrophobicContact CB-CD2 3.88Å; P34-Y36 HydrophobicContact CB-CE2 3.58Å; P34-Y36 HydrophobicContact CB-CG 4.47Å; P34-Y36 HydrophobicContact CG-CD2 4.18Å; P34-Y36 HydrophobicContact CG-CE2 3.45Å; P34-Y36 VanDerWaalsContact CG-CE2 3.45Å; P34-Y36 VanDerWaalsContact O-CD2 3.29Å; P34-Y36 WeakPolarHBondContact O-CD2 3.47Å; P34-Y36 PolarHBondContact O-N 3.07Å | ||
| 35 | D | 61.8 | Low | 70.4 | Confident | 162 Ų | 162 | 134.5 Ų | 134.5 | 87% | 0.866 | 65% | 0.651 | S | S | * | * | trans | -64.9 | 75.2 | 170.8 | -69.7 | -40 | 0 | 0 | 0 | 107.2 | R33 K37 | R33-D35 PolarHBondContact O-N 3.36Å; R33-D35 VanDerWaalsContact O-N 3.16Å; D35-K37 VanDerWaalsContact C-N 3.32Å; D35-K37 PolarHBondContact O-N 3.35Å | ||
| 36 | Y | 62.5 | Low | 69.9 | Low | 194 Ų | 194 | 134 Ų | 134 | 76% | 0.761 | 65% | 0.646 | S | S | * | * | trans | -64.3 | 104.6 | 166.4 | -69.8 | -74.8 | 0 | 0 | 0 | 104.4 | P34 G38 | P34-Y36 HydrophobicContact CB-CD2 3.88Å; P34-Y36 HydrophobicContact CB-CE2 3.58Å; P34-Y36 HydrophobicContact CB-CG 4.47Å; P34-Y36 HydrophobicContact CG-CD2 4.18Å; P34-Y36 HydrophobicContact CG-CE2 3.45Å; P34-Y36 VanDerWaalsContact CG-CE2 3.45Å; P34-Y36 VanDerWaalsContact O-CD2 3.29Å; P34-Y36 WeakPolarHBondContact O-CD2 3.47Å; P34-Y36 PolarHBondContact O-N 3.07Å; Y36-G38 PolarHBondContact O-N 3.15Å | ||
| 37 | K | 70.3 | Confident | 69.5 | Low | 94 Ų | 94 | 131 Ų | 131 | 41% | 0.409 | 63% | 0.634 | S | S | . | * | trans | -45.7 | 124.4 | 167.6 | -65 | -168.2 | 167.8 | -135.8 | 0 | 107.4 | D35 E41 L42 L45 | D35-K37 VanDerWaalsContact C-N 3.32Å; D35-K37 PolarHBondContact O-N 3.35Å; K37-E41 HydrophobicContact CB-CB 4.09Å; K37-E41 HydrophobicContact CB-CG 4.24Å; K37-E41 WeakPolarHBondContact CB-OE2 3.48Å; K37-E41 HydrophobicContact CD-CG 4.2Å; K37-E41 WeakPolarHBondContact CD-OE1 3.46Å; K37-E41 VanDerWaalsContact CE-OE1 3.24Å; K37-E41 WeakPolarHBondContact CE-OE1 3.46Å; K37-E41 HydrophobicContact CG-CG 4.46Å; K37-E41 WeakPolarHBondContact CG-OE2 3.38Å; K37-E41 IonicContact NZ-OE1 2.76Å; K37-E41 PolarHBondContact NZ-OE1 2.94Å; K37-L42 HydrophobicContact CB-CG 4.3Å; K37-L45 HydrophobicContact CD-CD1 3.63Å | ||
| 38 | G | 78.2 | Confident | 69.2 | Low | 43 Ų | 43 | 123 Ų | 123 | 44% | 0.443 | 62% | 0.615 | S | S | . | * | trans | -56.8 | 159.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y36 E40 E41 L42 | Y36-G38 PolarHBondContact O-N 3.15Å; G38-E40 PolarHBondContact O-N 3.15Å; G38-E40 VanDerWaalsContact O-N 3.08Å; G38-E41 PolarHBondContact O-N 3.5Å; G38-L42 PolarHBondContact O-N 3.21Å | ||
| 39 | E | 75.1 | Confident | 69.2 | Low | 148 Ų | 148 | 127.2 Ų | 127.2 | 69% | 0.692 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -52.7 | -33.8 | 178 | -65.9 | -175.3 | 175.6 | 0 | 0 | 112.3 | R43 | E39-R43 WeakPolarHBondContact O-CB 3.22Å; E39-R43 VanDerWaalsContact O-CG 3.25Å; E39-R43 WeakPolarHBondContact O-CG 3.27Å; E39-R43 PolarHBondContact O-N 3.38Å |
| 40 | E | 74.3 | Confident | 69.5 | Low | 166 Ų | 166 | 123.3 Ų | 123.3 | 78% | 0.776 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.8 | -40.4 | 175.7 | -62.9 | -176.9 | 167.8 | 0 | 0 | 113 | G38 R43 H44 | G38-E40 PolarHBondContact O-N 3.15Å; G38-E40 VanDerWaalsContact O-N 3.08Å; E40-R43 PolarHBondContact O-N 2.92Å; E40-H44 WeakPolarHBondContact O-CB 3.41Å; E40-H44 PolarHBondContact O-N 3.05Å |
| 41 | E | 78.8 | Confident | 70.5 | Confident | 89 Ų | 89 | 118.9 Ų | 118.9 | 42% | 0.416 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.9 | -35.4 | 179.1 | -166.1 | -173.6 | 166.7 | 0 | 0 | 110.9 | K37 G38 H44 L45 | K37-E41 HydrophobicContact CB-CB 4.09Å; K37-E41 HydrophobicContact CB-CG 4.24Å; K37-E41 WeakPolarHBondContact CB-OE2 3.48Å; K37-E41 HydrophobicContact CD-CG 4.2Å; K37-E41 WeakPolarHBondContact CD-OE1 3.46Å; K37-E41 VanDerWaalsContact CE-OE1 3.24Å; K37-E41 WeakPolarHBondContact CE-OE1 3.46Å; K37-E41 HydrophobicContact CG-CG 4.46Å; K37-E41 WeakPolarHBondContact CG-OE2 3.38Å; K37-E41 IonicContact NZ-OE1 2.76Å; K37-E41 PolarHBondContact NZ-OE1 2.94Å; G38-E41 PolarHBondContact O-N 3.5Å; E41-H44 PolarHBondContact O-N 3.33Å; E41-L45 WeakPolarHBondContact O-CB 3.22Å; E41-L45 VanDerWaalsContact O-CG 3.23Å; E41-L45 WeakPolarHBondContact O-CG 3.31Å; E41-L45 PolarHBondContact O-N 3.04Å |
| 42 | L | 78.6 | Confident | 71.7 | Confident | 97 Ų | 97 | 125.2 Ų | 125.2 | 51% | 0.508 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62 | -47 | 170.8 | -73.3 | 164.1 | 0 | 0 | 0 | 111.5 | K37 G38 H44 L45 E46 | K37-L42 HydrophobicContact CB-CG 4.3Å; G38-L42 PolarHBondContact O-N 3.21Å; L42-H44 VanDerWaalsContact C-N 3.31Å; L42-H44 PolarHBondContact O-N 2.95Å; L42-L45 PolarHBondContact O-N 3.27Å; L42-E46 WeakPolarHBondContact O-CB 3.4Å; L42-E46 PolarHBondContact O-N 3.35Å |
| 43 | R | 77.8 | Confident | 73.1 | Confident | 167 Ų | 167 | 120.7 Ų | 120.7 | 63% | 0.63 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.2 | -40.1 | 175.1 | -74.7 | 174.4 | -175.6 | -175.1 | 5.7 | 112.2 | E39 E40 E46 A47 | E39-R43 WeakPolarHBondContact O-CB 3.22Å; E39-R43 VanDerWaalsContact O-CG 3.25Å; E39-R43 WeakPolarHBondContact O-CG 3.27Å; E39-R43 PolarHBondContact O-N 3.38Å; E40-R43 PolarHBondContact O-N 2.92Å; R43-E46 PolarHBondContact O-N 2.76Å; R43-A47 WeakPolarHBondContact O-CB 3.33Å; R43-A47 PolarHBondContact O-N 3.35Å |
| 44 | H | 77 | Confident | 74.4 | Confident | 138 Ų | 138 | 113.2 Ų | 113.2 | 64% | 0.639 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.1 | -41 | 177.2 | -173.8 | -78.3 | 0 | 0 | 0 | 111.9 | E40 E41 L42 A48 | E40-H44 WeakPolarHBondContact O-CB 3.41Å; E40-H44 PolarHBondContact O-N 3.05Å; E41-H44 PolarHBondContact O-N 3.33Å; L42-H44 VanDerWaalsContact C-N 3.31Å; L42-H44 PolarHBondContact O-N 2.95Å; H44-A48 WeakPolarHBondContact O-CB 3.43Å; H44-A48 PolarHBondContact O-N 3.44Å |
| 45 | L | 76.4 | Confident | 75.8 | Confident | 70 Ų | 70 | 113.3 Ų | 113.3 | 37% | 0.366 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.9 | -40.5 | 176.2 | -71.5 | 166.6 | 0 | 0 | 0 | 112 | K37 E41 L42 A48 L49 | K37-L45 HydrophobicContact CD-CD1 3.63Å; E41-L45 WeakPolarHBondContact O-CB 3.22Å; E41-L45 VanDerWaalsContact O-CG 3.23Å; E41-L45 WeakPolarHBondContact O-CG 3.31Å; E41-L45 PolarHBondContact O-N 3.04Å; L42-L45 PolarHBondContact O-N 3.27Å; L45-A48 PolarHBondContact O-N 2.95Å; L45-L49 WeakPolarHBondContact O-CG 3.31Å; L45-L49 PolarHBondContact O-N 3.12Å; L45-L49 VanDerWaalsContact O-N 3.1Å |
| 46 | E | 74.8 | Confident | 77.1 | Confident | 106 Ų | 106 | 110.5 Ų | 110.5 | 50% | 0.495 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.7 | -44.6 | 175.9 | -172.6 | 173.6 | -163.2 | 0 | 0 | 111.8 | L42 R43 A48 L49 V50 | L42-E46 WeakPolarHBondContact O-CB 3.4Å; L42-E46 PolarHBondContact O-N 3.35Å; R43-E46 PolarHBondContact O-N 2.76Å; E46-A48 VanDerWaalsContact C-N 3.26Å; E46-A48 PolarHBondContact O-N 3.2Å; E46-L49 WeakPolarHBondContact O-CB 3.35Å; E46-L49 PolarHBondContact O-N 3.29Å; E46-L49 VanDerWaalsContact O-N 3.1Å; E46-V50 PolarHBondContact O-N 3.42Å; E46-V50 VanDerWaalsContact O-N 3.08Å |
| 47 | A | 73.1 | Confident | 78.5 | Confident | 66 Ų | 66 | 104 Ų | 104 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -33.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R43 L49 V50 | R43-A47 WeakPolarHBondContact O-CB 3.33Å; R43-A47 PolarHBondContact O-N 3.35Å; A47-L49 VanDerWaalsContact C-N 3.31Å; A47-V50 CarbonylContact O-C 3.54Å |
| 48 | A | 69.7 | Low | 79.3 | Confident | 50 Ų | 50 | 100.3 Ų | 100.3 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71 | -26.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H44 L45 E46 | H44-A48 WeakPolarHBondContact O-CB 3.43Å; H44-A48 PolarHBondContact O-N 3.44Å; L45-A48 PolarHBondContact O-N 2.95Å; E46-A48 VanDerWaalsContact C-N 3.26Å; E46-A48 PolarHBondContact O-N 3.2Å |
| 49 | L | 68.4 | Low | 79.9 | Confident | 152 Ų | 152 | 101.4 Ų | 101.4 | 80% | 0.796 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -78.1 | -36.5 | 175.1 | -75.7 | 158.1 | 0 | 0 | 0 | 111.8 | L45 E46 A47 K51 | L45-L49 WeakPolarHBondContact O-CG 3.31Å; L45-L49 PolarHBondContact O-N 3.12Å; L45-L49 VanDerWaalsContact O-N 3.1Å; E46-L49 WeakPolarHBondContact O-CB 3.35Å; E46-L49 PolarHBondContact O-N 3.29Å; E46-L49 VanDerWaalsContact O-N 3.1Å; A47-L49 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 3.15Å |
| 50 | V | 69.3 | Low | 80.8 | Confident | 105 Ų | 105 | 100.5 Ų | 100.5 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -98.6 | 72.8 | 179 | -169.6 | 0 | 0 | 0 | 0 | 110.3 | E46 A47 R52 | E46-V50 PolarHBondContact O-N 3.42Å; E46-V50 VanDerWaalsContact O-N 3.08Å; A47-V50 CarbonylContact O-C 3.54Å; V50-R52 PolarHBondContact O-N 3.36Å |
| 51 | K | 77.3 | Confident | 81.6 | Confident | 163 Ų | 163 | 94.1 Ų | 94.1 | 71% | 0.709 | 47% | 0.474 | S | S | * | . | trans | -76.2 | 115.2 | 173.7 | -69.9 | -176.7 | -177.7 | -179.8 | 0 | 110.2 | L49 | L49-K51 PolarHBondContact O-N 3.15Š| ||
| 52 | R | 81.5 | Confident | 82.1 | Confident | 204 Ų | 204 | 95.3 Ų | 95.3 | 77% | 0.77 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 146.3 | 170.1 | -67 | -174.5 | -177.6 | -177.8 | -1 | 110.4 | V50 | V50-R52 PolarHBondContact O-N 3.36Š|
| 53 | P | 88.1 | Confident | 82.8 | Confident | 24 Ų | 24 | 96.8 Ų | 96.8 | 16% | 0.156 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 141.2 | 170.4 | 26.4 | -33.3 | 0 | 0 | 0 | 110.1 | L58 A125 E126 E129 | P53-L58 HydrophobicContact CB-CD1 4.02Å; P53-A125 HydrophobicContact CB-CB 4.2Å; P53-E126 HydrophobicContact CB-CB 4.16Å; P53-E126 HydrophobicContact CG-CB 4.23Å; P53-E129 WeakPolarHBondContact CD-OE2 3.13Å; P53-E129 WeakPolarHBondContact CG-OE2 3.32Å |
| 54 | N | 89.6 | Confident | 83.5 | Confident | 59 Ų | 59 | 96.4 Ų | 96.4 | 32% | 0.316 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 119 | 174.4 | -175.9 | -16.5 | 0 | 0 | 0 | 108.2 | D56 I57 L58 H122 | N54-D56 VanDerWaalsContact C-N 3.26Å; N54-D56 PolarHBondContact O-N 3.06Å; N54-D56 PolarHBondContact OD1-N 2.9Å; N54-I57 HydrophobicContact CB-CB 4.31Å; N54-I57 HydrophobicContact CB-CD1 3.95Å; N54-I57 HydrophobicContact CB-CG1 4.09Å; N54-I57 PolarHBondContact O-N 3.07Å; N54-L58 PolarHBondContact O-N 3.31Å; N54-H122 PolarHBondContact N-ND1 3.04Å |
| 55 | P | 88.8 | Confident | 84.2 | Confident | 82 Ų | 82 | 95.4 Ų | 95.4 | 53% | 0.532 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.3 | -36.2 | -178.6 | 25.1 | -34.8 | 0 | 0 | 0 | 112.5 | I57 L58 D59 | P55-I57 VanDerWaalsContact C-N 3.31Å; P55-I57 PolarHBondContact O-N 3.37Å; P55-L58 PolarHBondContact O-N 3.46Å; P55-D59 PolarHBondContact O-N 3.26Å |
| 56 | D | 90.6 | Very high | 85.1 | Confident | 103 Ų | 103 | 92.2 Ų | 92.2 | 55% | 0.551 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.5 | -41.9 | -179.1 | -62.5 | -28.7 | 0 | 0 | 0 | 111 | N54 D59 H60 | N54-D56 VanDerWaalsContact C-N 3.26Å; N54-D56 PolarHBondContact O-N 3.06Å; N54-D56 PolarHBondContact OD1-N 2.9Å; D56-D59 PolarHBondContact O-N 3.27Å; D56-H60 WeakPolarHBondContact O-CB 3.26Å; D56-H60 PolarHBondContact O-CD2 3.4Å; D56-H60 PolarHBondContact O-N 3.39Å |
| 57 | I | 90.1 | Very high | 86 | Confident | 59 Ų | 59 | 91.1 Ų | 91.1 | 30% | 0.303 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.6 | -41.6 | -179.7 | -63.5 | 175.9 | 0 | 0 | 0 | 110.4 | N54 P55 D59 H60 E61 H122 | N54-I57 HydrophobicContact CB-CB 4.31Å; N54-I57 HydrophobicContact CB-CD1 3.95Å; N54-I57 HydrophobicContact CB-CG1 4.09Å; N54-I57 PolarHBondContact O-N 3.07Å; P55-I57 VanDerWaalsContact C-N 3.31Å; P55-I57 PolarHBondContact O-N 3.37Å; I57-D59 VanDerWaalsContact C-N 3.34Å; I57-D59 PolarHBondContact O-N 3.32Å; I57-H60 PolarHBondContact O-N 3.41Å; I57-E61 WeakPolarHBondContact O-CG 3.46Å; I57-E61 PolarHBondContact O-N 2.97Å; I57-H122 WeakPolarHBondContact CD1-NE2 3.28Å; I57-H122 HydrophobicContact CG2-CB 4.22Å |
| 58 | L | 88.9 | Confident | 87.1 | Confident | 15 Ų | 15 | 91.8 Ų | 91.8 | 8% | 0.079 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.8 | -67.7 | 174.8 | 0 | 0 | 0 | 111.6 | P53 N54 P55 E61 R62 H122 Q123 E126 | P53-L58 HydrophobicContact CB-CD1 4.02Å; N54-L58 PolarHBondContact O-N 3.31Å; P55-L58 PolarHBondContact O-N 3.46Å; L58-E61 PolarHBondContact O-N 3.22Å; L58-R62 VanDerWaalsContact O-CG 3.27Å; L58-R62 WeakPolarHBondContact O-CG 3.47Å; L58-R62 PolarHBondContact O-N 2.95Å; L58-H122 HydrophobicContact CD2-CB 4.17Å; L58-Q123 HydrophobicContact CD2-CB 4.48Å; L58-Q123 HydrophobicContact CD2-CG 3.81Å; L58-E126 HydrophobicContact CD1-CB 4.3Å; L58-E126 HydrophobicContact CD1-CG 4.34Å; L58-E126 WeakPolarHBondContact CD1-OE2 3.21Å |
| 59 | D | 90.4 | Very high | 88.2 | Confident | 67 Ų | 67 | 95.7 Ų | 95.7 | 36% | 0.358 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.3 | -36.6 | 178.3 | -74.3 | -17.4 | 0 | 0 | 0 | 112.3 | P55 D56 I57 R62 K63 | P55-D59 PolarHBondContact O-N 3.26Å; D56-D59 PolarHBondContact O-N 3.27Å; I57-D59 VanDerWaalsContact C-N 3.34Å; I57-D59 PolarHBondContact O-N 3.32Å; D59-R62 PolarHBondContact O-N 3.36Å; D59-R62 IonicContact OD1-CZ 3.86Å; D59-R62 IonicContact OD1-NH1 2.94Å; D59-R62 PolarHBondContact OD1-NH1 3.19Å; D59-K63 WeakPolarHBondContact O-CG 3.4Å; D59-K63 PolarHBondContact O-N 3.34Å |
| 60 | H | 93.7 | Very high | 89.5 | Confident | 129 Ų | 129 | 88.5 Ų | 88.5 | 60% | 0.597 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | 171.4 | -89.8 | -75 | 0 | 0 | 0 | 111.9 | D56 I57 K63 R64 | D56-H60 WeakPolarHBondContact O-CB 3.26Å; D56-H60 PolarHBondContact O-CD2 3.4Å; D56-H60 PolarHBondContact O-N 3.39Å; I57-H60 PolarHBondContact O-N 3.41Å; H60-K63 PolarHBondContact O-N 3.18Å; H60-R64 VanDerWaalsContact O-CB 3.28Å; H60-R64 WeakPolarHBondContact O-CB 3.46Å; H60-R64 PolarHBondContact O-N 3.37Å |
| 61 | E | 89.8 | Confident | 90.8 | Very high | 31 Ų | 31 | 88.1 Ų | 88.1 | 15% | 0.145 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 176.9 | -74.1 | 175.6 | -178.6 | 0 | 0 | 112.3 | I57 L58 R64 R65 Q123 | I57-E61 WeakPolarHBondContact O-CG 3.46Å; I57-E61 PolarHBondContact O-N 2.97Å; L58-E61 PolarHBondContact O-N 3.22Å; E61-R64 PolarHBondContact O-N 3.2Å; E61-R65 WeakPolarHBondContact O-CB 3.21Å; E61-R65 PolarHBondContact O-N 3.49Å; E61-Q123 VanDerWaalsContact OE2-CD 3.3Å; E61-Q123 WeakPolarHBondContact OE2-CG 3.44Å; E61-Q123 PolarHBondContact OE2-NE2 3.22Å |
| 62 | R | 90.4 | Very high | 91.6 | Very high | 114 Ų | 114 | 84.5 Ų | 84.5 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.7 | -52.1 | 173.2 | -73.6 | 169.2 | -176.1 | 169.1 | -3.3 | 111.1 | L58 D59 R64 R65 V66 | L58-R62 VanDerWaalsContact O-CG 3.27Å; L58-R62 WeakPolarHBondContact O-CG 3.47Å; L58-R62 PolarHBondContact O-N 2.95Å; D59-R62 PolarHBondContact O-N 3.36Å; D59-R62 IonicContact OD1-CZ 3.86Å; D59-R62 IonicContact OD1-NH1 2.94Å; D59-R62 PolarHBondContact OD1-NH1 3.19Å; R62-R64 PolarHBondContact O-N 3Å; R62-R65 WeakPolarHBondContact O-CB 3.48Å; R62-R65 PolarHBondContact O-N 3.02Å; R62-V66 PolarHBondContact O-N 3.15Å |
| 63 | K | 92.4 | Very high | 92.3 | Very high | 128 Ų | 128 | 77 Ų | 77 | 56% | 0.557 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.8 | -44.9 | 177.2 | -71 | 171.4 | -175.3 | 172.3 | 0 | 111.8 | D59 H60 R65 V66 E67 | D59-K63 WeakPolarHBondContact O-CG 3.4Å; D59-K63 PolarHBondContact O-N 3.34Å; H60-K63 PolarHBondContact O-N 3.18Å; K63-R65 VanDerWaalsContact C-N 3.28Å; K63-R65 PolarHBondContact O-N 3.17Å; K63-V66 WeakPolarHBondContact O-CB 3.44Å; K63-V66 PolarHBondContact O-N 3.45Å; K63-V66 VanDerWaalsContact O-N 3.15Å; K63-E67 PolarHBondContact O-N 2.9Å |
| 64 | R | 93.8 | Very high | 92.6 | Very high | 160 Ų | 160 | 79.4 Ų | 79.4 | 60% | 0.604 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.7 | -41.8 | 176.6 | -176.6 | -177.6 | 177.7 | -142 | -1.5 | 111.4 | H60 E61 R62 V66 E67 L68 | H60-R64 VanDerWaalsContact O-CB 3.28Å; H60-R64 WeakPolarHBondContact O-CB 3.46Å; H60-R64 PolarHBondContact O-N 3.37Å; E61-R64 PolarHBondContact O-N 3.2Å; R62-R64 PolarHBondContact O-N 3Å; R64-V66 VanDerWaalsContact C-N 3.34Å; R64-V66 PolarHBondContact O-N 2.88Å; R64-E67 PolarHBondContact O-N 3.49Å; R64-L68 HydrophobicContact CG-CD1 4.08Å; R64-L68 HydrophobicContact CG-CG 4.35Å; R64-L68 WeakPolarHBondContact O-CB 3.49Å; R64-L68 VanDerWaalsContact O-CG 3.26Å; R64-L68 WeakPolarHBondContact O-CG 3.22Å; R64-L68 PolarHBondContact O-N 3.1Å |
| 65 | R | 91.3 | Very high | 92.9 | Very high | 117 Ų | 117 | 81.5 Ų | 81.5 | 44% | 0.442 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 177.6 | -171.7 | -177.9 | -62.3 | 169.7 | 1.2 | 112 | E61 R62 K63 R69 | E61-R65 WeakPolarHBondContact O-CB 3.21Å; E61-R65 PolarHBondContact O-N 3.49Å; R62-R65 WeakPolarHBondContact O-CB 3.48Å; R62-R65 PolarHBondContact O-N 3.02Å; K63-R65 VanDerWaalsContact C-N 3.28Å; K63-R65 PolarHBondContact O-N 3.17Å; R65-R69 WeakPolarHBondContact O-CG 3.34Å; R65-R69 PolarHBondContact O-N 3.22Å |
| 66 | V | 94.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 82.5 Ų | 82.5 | 2% | 0.018 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | R62 K63 R64 L68 R69 C70 R95 L98 L99 D102 | R62-V66 PolarHBondContact O-N 3.15Å; K63-V66 WeakPolarHBondContact O-CB 3.44Å; K63-V66 PolarHBondContact O-N 3.45Å; K63-V66 VanDerWaalsContact O-N 3.15Å; R64-V66 VanDerWaalsContact C-N 3.34Å; R64-V66 PolarHBondContact O-N 2.88Å; V66-L68 PolarHBondContact O-N 3.1Å; V66-R69 PolarHBondContact O-N 3.35Å; V66-C70 PolarHBondContact O-N 3.16Å; V66-C70 PolarHBondContact O-SG 2.92Å; V66-R95 HydrophobicContact CG1-CG 4.23Å; V66-L98 HydrophobicContact CG1-CB 3.94Å; V66-L98 HydrophobicContact CG1-CD1 4.18Å; V66-L98 HydrophobicContact CG2-CB 4.25Å; V66-L99 HydrophobicContact CG1-CD2 4.42Å; V66-L99 HydrophobicContact CG1-CG 4.41Å; V66-L99 HydrophobicContact CG2-CD2 4.34Å; V66-D102 WeakPolarHBondContact CG2-OD2 3.41Å |
| 67 | E | 94.9 | Very high | 93.5 | Very high | 82 Ų | 82 | 78 Ų | 78 | 38% | 0.383 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | -178.8 | -65.3 | -56 | 144.3 | 0 | 0 | 112.4 | K63 R64 R69 C70 L71 R95 | K63-E67 PolarHBondContact O-N 2.9Å; R64-E67 PolarHBondContact O-N 3.49Å; E67-R69 VanDerWaalsContact C-N 3.32Å; E67-R69 PolarHBondContact O-N 3.41Å; E67-C70 WeakPolarHBondContact O-CB 3.41Å; E67-C70 PolarHBondContact O-N 2.9Å; E67-C70 VanDerWaalsContact O-N 3.16Å; E67-L71 WeakPolarHBondContact O-CB 3.46Å; E67-L71 PolarHBondContact O-N 2.92Å; E67-R95 IonicContact OE1-CZ 3.64Å; E67-R95 IonicContact OE1-NE 2.92Å; E67-R95 PolarHBondContact OE1-NE 3.45Å; E67-R95 IonicContact OE1-NH2 3.66Å; E67-R95 IonicContact OE2-CZ 3.48Å; E67-R95 IonicContact OE2-NE 3.38Å; E67-R95 PolarHBondContact OE2-NE 2.96Å; E67-R95 IonicContact OE2-NH2 2.76Å; E67-R95 PolarHBondContact OE2-NH2 3.44Å |
| 68 | L | 95.3 | Very high | 93.8 | Very high | 80 Ų | 80 | 80.7 Ų | 80.7 | 42% | 0.419 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 173.8 | -75.7 | 171.9 | 0 | 0 | 0 | 111.8 | R64 V66 C70 L71 E72 | R64-L68 HydrophobicContact CG-CD1 4.08Å; R64-L68 HydrophobicContact CG-CG 4.35Å; R64-L68 WeakPolarHBondContact O-CB 3.49Å; R64-L68 VanDerWaalsContact O-CG 3.26Å; R64-L68 WeakPolarHBondContact O-CG 3.22Å; R64-L68 PolarHBondContact O-N 3.1Å; V66-L68 PolarHBondContact O-N 3.1Å; L68-C70 VanDerWaalsContact C-N 3.32Å; L68-C70 PolarHBondContact O-N 2.72Å; L68-L71 PolarHBondContact O-N 3.11Å; L68-E72 WeakPolarHBondContact O-CG 3.49Å; L68-E72 PolarHBondContact O-N 3.47Å |
| 69 | R | 94.4 | Very high | 94.1 | Very high | 132 Ų | 132 | 87.4 Ų | 87.4 | 50% | 0.498 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.3 | -34 | 175.9 | -67.2 | -57.3 | -170.1 | -178 | -1.6 | 112.7 | R65 V66 E67 E72 L73 F94 L98 | R65-R69 WeakPolarHBondContact O-CG 3.34Å; R65-R69 PolarHBondContact O-N 3.22Å; V66-R69 PolarHBondContact O-N 3.35Å; E67-R69 VanDerWaalsContact C-N 3.32Å; E67-R69 PolarHBondContact O-N 3.41Å; R69-E72 WeakPolarHBondContact CD-OE2 3.36Å; R69-E72 IonicContact CZ-OE2 3.63Å; R69-E72 IonicContact NE-OE2 3.82Å; R69-E72 IonicContact NH1-OE1 3.63Å; R69-E72 IonicContact NH1-OE2 2.72Å; R69-E72 PolarHBondContact NH1-OE2 2.88Å; R69-L73 PolarHBondContact O-N 3.34Å; R69-L73 VanDerWaalsContact O-N 3.15Å; R69-F94 HydrophobicContact CB-CE1 4.04Å; R69-L98 HydrophobicContact CB-CD1 3.65Å; R69-L98 HydrophobicContact CG-CD1 4.39Å |
| 70 | C | 94.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 89.9 Ų | 89.9 | 1% | 0.014 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 175 | -65.3 | 0 | 0 | 0 | 0 | 111 | V66 E67 L68 L73 E74 V91 | V66-C70 PolarHBondContact O-N 3.16Å; V66-C70 PolarHBondContact O-SG 2.92Å; E67-C70 WeakPolarHBondContact O-CB 3.41Å; E67-C70 PolarHBondContact O-N 2.9Å; E67-C70 VanDerWaalsContact O-N 3.16Å; L68-C70 VanDerWaalsContact C-N 3.32Å; L68-C70 PolarHBondContact O-N 2.72Å; C70-L73 PolarHBondContact O-N 2.93Å; C70-E74 WeakPolarHBondContact O-CB 3.39Å; C70-E74 PolarHBondContact O-N 2.93Å; C70-V91 HydrophobicContact CB-CG1 3.92Å |
| 71 | L | 96.4 | Very high | 94.4 | Very high | 96 Ų | 96 | 86.9 Ų | 86.9 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 176.8 | -171.9 | 150.6 | 0 | 0 | 0 | 111.8 | E67 L68 L73 E74 E75 | E67-L71 WeakPolarHBondContact O-CB 3.46Å; E67-L71 PolarHBondContact O-N 2.92Å; L68-L71 PolarHBondContact O-N 3.11Å; L71-L73 VanDerWaalsContact C-N 3.28Å; L71-L73 PolarHBondContact O-N 2.94Å; L71-E74 WeakPolarHBondContact O-CB 3.22Å; L71-E74 PolarHBondContact O-N 3.35Å; L71-E75 WeakPolarHBondContact O-CB 3.45Å; L71-E75 PolarHBondContact O-N 3.47Å |
| 72 | E | 94.9 | Very high | 94.7 | Very high | 87 Ų | 87 | 90 Ų | 90 | 41% | 0.407 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -56.5 | -42.8 | 173.2 | -75 | 171.3 | -172.8 | 0 | 0 | 111.5 | L68 R69 M76 | L68-E72 WeakPolarHBondContact O-CG 3.49Å; L68-E72 PolarHBondContact O-N 3.47Å; R69-E72 WeakPolarHBondContact CD-OE2 3.36Å; R69-E72 IonicContact CZ-OE2 3.63Å; R69-E72 IonicContact NE-OE2 3.82Å; R69-E72 IonicContact NH1-OE1 3.63Å; R69-E72 IonicContact NH1-OE2 2.72Å; R69-E72 PolarHBondContact NH1-OE2 2.88Å; E72-M76 WeakPolarHBondContact O-CB 3.17Å; E72-M76 VanDerWaalsContact O-CG 3.22Å; E72-M76 WeakPolarHBondContact O-CG 3.34Å; E72-M76 PolarHBondContact O-N 2.93Å |
| 73 | L | 95 | Very high | 95 | Very high | 47 Ų | 47 | 90.5 Ų | 90.5 | 25% | 0.246 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 177.9 | 178.3 | 65.1 | 0 | 0 | 0 | 112.2 | R69 C70 L71 M76 M77 V91 F94 | R69-L73 PolarHBondContact O-N 3.34Å; R69-L73 VanDerWaalsContact O-N 3.15Å; C70-L73 PolarHBondContact O-N 2.93Å; L71-L73 VanDerWaalsContact C-N 3.28Å; L71-L73 PolarHBondContact O-N 2.94Å; L73-M76 PolarHBondContact O-N 3.36Å; L73-M77 HydrophobicContact CD1-CG 4.45Å; L73-M77 WeakPolarHBondContact O-CG 3.27Å; L73-M77 PolarHBondContact O-N 3.37Å; L73-V91 HydrophobicContact CD2-CG2 4.36Å; L73-V91 HydrophobicContact CG-CG2 4.47Å; L73-F94 HydrophobicContact CB-CD1 4.39Å; L73-F94 HydrophobicContact CB-CE1 4.41Å; L73-F94 HydrophobicContact CD2-CB 3.71Å; L73-F94 HydrophobicContact CD2-CD1 3.58Å; L73-F94 HydrophobicContact CD2-CD2 4.3Å; L73-F94 HydrophobicContact CD2-CE1 4.2Å; L73-F94 HydrophobicContact CD2-CG 3.62Å |
| 74 | E | 95.2 | Very high | 95 | Very high | 75 Ų | 75 | 91.7 Ų | 91.7 | 35% | 0.35 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.1 | -52.8 | 176.6 | -174.3 | 167.2 | -160.4 | 0 | 0 | 110.6 | C70 L71 M76 M77 E78 I87 V91 | C70-E74 WeakPolarHBondContact O-CB 3.39Å; C70-E74 PolarHBondContact O-N 2.93Å; L71-E74 WeakPolarHBondContact O-CB 3.22Å; L71-E74 PolarHBondContact O-N 3.35Å; E74-M76 VanDerWaalsContact C-N 3.34Å; E74-M76 PolarHBondContact O-N 3.25Å; E74-M77 PolarHBondContact O-N 2.85Å; E74-E78 WeakPolarHBondContact O-CG 3.4Å; E74-E78 PolarHBondContact O-N 2.93Å; E74-I87 HydrophobicContact CB-CG2 4.41Å; E74-I87 HydrophobicContact CG-CG2 3.8Å; E74-V91 HydrophobicContact CB-CG2 4.05Å |
| 75 | E | 96.3 | Very high | 95.1 | Very high | 103 Ų | 103 | 91 Ų | 91 | 48% | 0.481 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.6 | -44.8 | 177.5 | -172.3 | 174.1 | -162.6 | 0 | 0 | 111.6 | L71 M77 E78 E79 | L71-E75 WeakPolarHBondContact O-CB 3.45Å; L71-E75 PolarHBondContact O-N 3.47Å; E75-M77 VanDerWaalsContact C-N 3.28Å; E75-M77 PolarHBondContact O-N 3.46Å; E75-E78 PolarHBondContact O-N 2.92Å; E75-E79 WeakPolarHBondContact O-CG 3.2Å; E75-E79 PolarHBondContact O-N 3.05Å |
| 76 | M | 95.9 | Very high | 95.2 | Very high | 102 Ų | 102 | 89 Ų | 89 | 50% | 0.502 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61 | -34.5 | 176.1 | -76.1 | 179.5 | 66 | 0 | 0 | 113.4 | E72 L73 E74 Q80 | E72-M76 WeakPolarHBondContact O-CB 3.17Å; E72-M76 VanDerWaalsContact O-CG 3.22Å; E72-M76 WeakPolarHBondContact O-CG 3.34Å; E72-M76 PolarHBondContact O-N 2.93Å; L73-M76 PolarHBondContact O-N 3.36Å; E74-M76 VanDerWaalsContact C-N 3.34Å; E74-M76 PolarHBondContact O-N 3.25Å; M76-Q80 WeakPolarHBondContact O-CG 3.28Å; M76-Q80 PolarHBondContact O-N 2.71Å; M76-Q80 PolarHBondContact O-NE2 2.94Å |
| 77 | M | 96.1 | Very high | 95.2 | Very high | 10 Ų | 10 | 89.1 Ų | 89.1 | 5% | 0.049 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -80.1 | -34.1 | 178.2 | -71.8 | -171.9 | 62 | 0 | 0 | 112.2 | L73 E74 E75 Q80 G81 Y82 I87 K90 | L73-M77 HydrophobicContact CD1-CG 4.45Å; L73-M77 WeakPolarHBondContact O-CG 3.27Å; L73-M77 PolarHBondContact O-N 3.37Å; E74-M77 PolarHBondContact O-N 2.85Å; E75-M77 VanDerWaalsContact C-N 3.28Å; E75-M77 PolarHBondContact O-N 3.46Å; M77-Q80 PolarHBondContact O-N 3.44Å; M77-G81 PolarHBondContact O-N 3.34Å; M77-Y82 HydrophobicContact CB-CD2 3.93Å; M77-Y82 HydrophobicContact CB-CG 4.46Å; M77-Y82 HydrophobicContact CE-CD1 3.97Å; M77-Y82 HydrophobicContact CE-CD2 3.94Å; M77-Y82 HydrophobicContact CE-CE2 4.49Å; M77-Y82 HydrophobicContact CE-CG 3.65Å; M77-Y82 HydrophobicContact CG-CD2 4.19Å; M77-Y82 WeakPolarHBondContact O-CD2 3.42Å; M77-Y82 PolarHBondContact O-N 3.33Å; M77-Y82 VanDerWaalsContact O-N 3.15Å; M77-I87 HydrophobicContact CB-CD1 4.26Å; M77-I87 HydrophobicContact CB-CG1 3.81Å; M77-I87 HydrophobicContact CE-CB 4.39Å; M77-I87 HydrophobicContact CE-CG1 3.81Å; M77-I87 HydrophobicContact SD-CG1 4.46Å; M77-K90 HydrophobicContact CE-CB 4.33Å; M77-K90 HydrophobicContact CE-CD 3.62Å; M77-K90 HydrophobicContact CE-CG 4.33Å; M77-K90 HydrophobicContact SD-CB 3.94Å; M77-K90 HydrophobicContact SD-CD 3.84Å; M77-K90 HydrophobicContact SD-CG 4.46Å |
| 78 | E | 94.8 | Very high | 95.3 | Very high | 115 Ų | 115 | 91.1 Ų | 91.1 | 54% | 0.537 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 172.5 | -71.8 | -177.5 | 170.1 | 0 | 0 | 111.3 | E74 E75 Q80 G81 I87 | E74-E78 WeakPolarHBondContact O-CG 3.4Å; E74-E78 PolarHBondContact O-N 2.93Å; E75-E78 PolarHBondContact O-N 2.92Å; E78-Q80 PolarHBondContact O-N 3.41Å; E78-G81 PolarHBondContact O-N 2.96Å; E78-I87 HydrophobicContact CG-CD1 3.84Å |
| 79 | E | 96.3 | Very high | 95.3 | Very high | 155 Ų | 155 | 94 Ų | 94 | 72% | 0.724 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.8 | -32.6 | 175.7 | -74.4 | -175.7 | 167.2 | 0 | 0 | 112.8 | E75 G81 | E75-E79 WeakPolarHBondContact O-CG 3.2Å; E75-E79 PolarHBondContact O-N 3.05Å; E79-G81 VanDerWaalsContact C-N 3.27Å; E79-G81 PolarHBondContact O-N 3.05Å |
| 80 | Q | 95.6 | Very high | 95.3 | Very high | 120 Ų | 120 | 92.1 Ų | 92.1 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -6.5 | 176.7 | -71.5 | 171.1 | 38.7 | 0 | 0 | 113.1 | M76 M77 E78 Y82 | M76-Q80 WeakPolarHBondContact O-CG 3.28Å; M76-Q80 PolarHBondContact O-N 2.71Å; M76-Q80 PolarHBondContact O-NE2 2.94Å; M77-Q80 PolarHBondContact O-N 3.44Å; E78-Q80 PolarHBondContact O-N 3.41Å; Q80-Y82 HydrophobicContact CB-CD2 3.74Å; Q80-Y82 HydrophobicContact CB-CE2 3.6Å; Q80-Y82 HydrophobicContact CG-CE2 4.46Å; Q80-Y82 VanDerWaalsContact OE1-CE2 3.31Å |
| 81 | G | 94.6 | Very high | 95.4 | Very high | 65 Ų | 65 | 92.5 Ų | 92.5 | 67% | 0.67 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 29.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | M77 E78 E79 | M77-G81 PolarHBondContact O-N 3.34Å; E78-G81 PolarHBondContact O-N 2.96Å; E79-G81 VanDerWaalsContact C-N 3.27Å; E79-G81 PolarHBondContact O-N 3.05Å |
| 82 | Y | 95.8 | Very high | 95.4 | Very high | 97 Ų | 97 | 90 Ų | 90 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | trans | -68.7 | 156.2 | 172 | -73.3 | -88.4 | 0 | 0 | 0 | 111.8 | M77 Q80 | M77-Y82 HydrophobicContact CB-CD2 3.93Å; M77-Y82 HydrophobicContact CB-CG 4.46Å; M77-Y82 HydrophobicContact CE-CD1 3.97Å; M77-Y82 HydrophobicContact CE-CD2 3.94Å; M77-Y82 HydrophobicContact CE-CE2 4.49Å; M77-Y82 HydrophobicContact CE-CG 3.65Å; M77-Y82 HydrophobicContact CG-CD2 4.19Å; M77-Y82 WeakPolarHBondContact O-CD2 3.42Å; M77-Y82 PolarHBondContact O-N 3.33Å; M77-Y82 VanDerWaalsContact O-N 3.15Å; Q80-Y82 HydrophobicContact CB-CD2 3.74Å; Q80-Y82 HydrophobicContact CB-CE2 3.6Å; Q80-Y82 HydrophobicContact CG-CE2 4.46Å; Q80-Y82 VanDerWaalsContact OE1-CE2 3.31Å | ||
| 83 | E | 96.4 | Very high | 95.4 | Very high | 125 Ų | 125 | 90.3 Ų | 90.3 | 58% | 0.584 | 45% | 0.452 | S | S | * | . | trans | -71.3 | 143 | 172.9 | -68.3 | 179.9 | 155.7 | 0 | 0 | 111.6 | Q85 Q86 I87 | E83-Q85 PolarHBondContact O-N 3.23Å; E83-Q85 VanDerWaalsContact O-N 3.12Å; E83-Q86 HydrophobicContact CB-CG 4.23Å; E83-Q86 WeakPolarHBondContact O-CB 3.43Å; E83-Q86 PolarHBondContact O-N 3.14Å; E83-Q86 PolarHBondContact OE2-NE2 3.27Å; E83-Q86 VanDerWaalsContact OE2-NE2 3.14Å; E83-I87 WeakPolarHBondContact O-CG1 3.37Å; E83-I87 PolarHBondContact O-N 3.43Å | ||
| 84 | E | 93.7 | Very high | 95.5 | Very high | 152 Ų | 152 | 90.9 Ų | 90.9 | 71% | 0.71 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -52.4 | -37.8 | -178.5 | -68.2 | 178.7 | -179.5 | 0 | 0 | 113.4 | I87 Q88 | E84-I87 PolarHBondContact O-N 3.34Å; E84-Q88 VanDerWaalsContact O-CG 3.31Å; E84-Q88 WeakPolarHBondContact O-CG 3.26Å; E84-Q88 PolarHBondContact O-N 3.3Å |
| 85 | Q | 95 | Very high | 95.5 | Very high | 145 Ų | 145 | 92 Ų | 92 | 68% | 0.678 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 178.6 | -65 | -179.3 | 4.7 | 0 | 0 | 111.8 | E83 I87 Q88 E89 | E83-Q85 PolarHBondContact O-N 3.23Å; E83-Q85 VanDerWaalsContact O-N 3.12Å; Q85-I87 VanDerWaalsContact C-N 3.32Å; Q85-Q88 PolarHBondContact O-N 3Å; Q85-E89 WeakPolarHBondContact O-CG 3.39Å; Q85-E89 PolarHBondContact O-N 3.18Å; Q85-E89 VanDerWaalsContact O-N 3.14Å |
| 86 | Q | 94.3 | Very high | 95.4 | Very high | 76 Ų | 76 | 92.5 Ų | 92.5 | 36% | 0.355 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.8 | -34.5 | 179.4 | -58.8 | 178.2 | 12.6 | 0 | 0 | 111.2 | E83 K90 | E83-Q86 HydrophobicContact CB-CG 4.23Å; E83-Q86 WeakPolarHBondContact O-CB 3.43Å; E83-Q86 PolarHBondContact O-N 3.14Å; E83-Q86 PolarHBondContact OE2-NE2 3.27Å; E83-Q86 VanDerWaalsContact OE2-NE2 3.14Å; Q86-K90 WeakPolarHBondContact O-CB 3.26Å; Q86-K90 WeakPolarHBondContact O-CG 3.44Å; Q86-K90 PolarHBondContact O-N 3.33Å; Q86-K90 VanDerWaalsContact O-N 3.14Å |
| 87 | I | 94.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 92 Ų | 92 | 3% | 0.026 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.7 | -51.9 | 174.4 | -65.1 | 169.9 | 0 | 0 | 0 | 109.6 | E74 M77 E78 E83 E84 Q85 E89 K90 V91 | E74-I87 HydrophobicContact CB-CG2 4.41Å; E74-I87 HydrophobicContact CG-CG2 3.8Å; M77-I87 HydrophobicContact CB-CD1 4.26Å; M77-I87 HydrophobicContact CB-CG1 3.81Å; M77-I87 HydrophobicContact CE-CB 4.39Å; M77-I87 HydrophobicContact CE-CG1 3.81Å; M77-I87 HydrophobicContact SD-CG1 4.46Å; E78-I87 HydrophobicContact CG-CD1 3.84Å; E83-I87 WeakPolarHBondContact O-CG1 3.37Å; E83-I87 PolarHBondContact O-N 3.43Å; E84-I87 PolarHBondContact O-N 3.34Å; Q85-I87 VanDerWaalsContact C-N 3.32Å; I87-E89 PolarHBondContact O-N 3.26Å; I87-K90 PolarHBondContact O-N 3.01Å; I87-V91 HydrophobicContact CG2-CG2 4.15Å; I87-V91 WeakPolarHBondContact O-CB 3.29Å; I87-V91 VanDerWaalsContact O-CG2 3.27Å; I87-V91 WeakPolarHBondContact O-CG2 3.45Å; I87-V91 PolarHBondContact O-N 3.03Å |
| 88 | Q | 95.7 | Very high | 95 | Very high | 125 Ų | 125 | 92.7 Ų | 92.7 | 58% | 0.584 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.9 | -43.7 | -179.1 | -72.4 | 174 | 12.1 | 0 | 0 | 112.8 | E84 Q85 A92 | E84-Q88 VanDerWaalsContact O-CG 3.31Å; E84-Q88 WeakPolarHBondContact O-CG 3.26Å; E84-Q88 PolarHBondContact O-N 3.3Å; Q85-Q88 PolarHBondContact O-N 3Å; Q88-A92 WeakPolarHBondContact O-CB 3.34Å; Q88-A92 PolarHBondContact O-N 2.86Å |
| 89 | E | 96.5 | Very high | 94.8 | Very high | 140 Ų | 140 | 90.9 Ų | 90.9 | 65% | 0.654 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.6 | -46.2 | 177.6 | -72.9 | -179.3 | 177.1 | 0 | 0 | 112.1 | Q85 I87 A92 T93 | Q85-E89 WeakPolarHBondContact O-CG 3.39Å; Q85-E89 PolarHBondContact O-N 3.18Å; Q85-E89 VanDerWaalsContact O-N 3.14Å; I87-E89 PolarHBondContact O-N 3.26Å; E89-A92 PolarHBondContact O-N 3.26Å; E89-T93 WeakPolarHBondContact O-CG2 3.21Å; E89-T93 PolarHBondContact O-N 3.42Å; E89-T93 PolarHBondContact O-OG1 2.69Å; E89-T93 VanDerWaalsContact O-OG1 3.12Å |
| 90 | K | 94.3 | Very high | 94.5 | Very high | 92 Ų | 92 | 90.2 Ų | 90.2 | 40% | 0.4 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 179.4 | -71.2 | -167.1 | -159.1 | 165.6 | 0 | 112.1 | M77 Q86 I87 T93 F94 | M77-K90 HydrophobicContact CE-CB 4.33Å; M77-K90 HydrophobicContact CE-CD 3.62Å; M77-K90 HydrophobicContact CE-CG 4.33Å; M77-K90 HydrophobicContact SD-CB 3.94Å; M77-K90 HydrophobicContact SD-CD 3.84Å; M77-K90 HydrophobicContact SD-CG 4.46Å; Q86-K90 WeakPolarHBondContact O-CB 3.26Å; Q86-K90 WeakPolarHBondContact O-CG 3.44Å; Q86-K90 PolarHBondContact O-N 3.33Å; Q86-K90 VanDerWaalsContact O-N 3.14Å; I87-K90 PolarHBondContact O-N 3.01Å; K90-T93 WeakPolarHBondContact CA-OG1 3.46Å; K90-T93 PolarHBondContact O-OG1 3.28Å; K90-F94 WeakPolarHBondContact O-CB 3.26Å; K90-F94 PolarHBondContact O-N 2.93Å |
| 91 | V | 96.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 89.4 Ų | 89.4 | 6% | 0.061 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 175.5 | 174 | 0 | 0 | 0 | 0 | 111 | C70 L73 E74 I87 F94 R95 | C70-V91 HydrophobicContact CB-CG1 3.92Å; L73-V91 HydrophobicContact CD2-CG2 4.36Å; L73-V91 HydrophobicContact CG-CG2 4.47Å; E74-V91 HydrophobicContact CB-CG2 4.05Å; I87-V91 HydrophobicContact CG2-CG2 4.15Å; I87-V91 WeakPolarHBondContact O-CB 3.29Å; I87-V91 VanDerWaalsContact O-CG2 3.27Å; I87-V91 WeakPolarHBondContact O-CG2 3.45Å; I87-V91 PolarHBondContact O-N 3.03Å; V91-F94 PolarHBondContact O-N 3.39Å; V91-R95 WeakPolarHBondContact O-CB 3.13Å; V91-R95 PolarHBondContact O-N 2.67Å |
| 92 | A | 96.2 | Very high | 93.4 | Very high | 45 Ų | 45 | 88.4 Ų | 88.4 | 37% | 0.372 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q88 E89 R95 L96 | Q88-A92 WeakPolarHBondContact O-CB 3.34Å; Q88-A92 PolarHBondContact O-N 2.86Å; E89-A92 PolarHBondContact O-N 3.26Å; A92-R95 PolarHBondContact O-N 3.45Å; A92-L96 PolarHBondContact O-N 3.18Å |
| 93 | T | 95.8 | Very high | 92.2 | Very high | 92 Ų | 92 | 89.7 Ų | 89.7 | 56% | 0.564 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.7 | -40.1 | 175.5 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | E89 K90 L96 M97 | E89-T93 WeakPolarHBondContact O-CG2 3.21Å; E89-T93 PolarHBondContact O-N 3.42Å; E89-T93 PolarHBondContact O-OG1 2.69Å; E89-T93 VanDerWaalsContact O-OG1 3.12Å; K90-T93 WeakPolarHBondContact CA-OG1 3.46Å; K90-T93 PolarHBondContact O-OG1 3.28Å; T93-L96 PolarHBondContact O-N 2.9Å; T93-M97 PolarHBondContact O-N 2.97Å |
| 94 | F | 95.4 | Very high | 90.7 | Very high | 59 Ų | 59 | 89.2 Ų | 89.2 | 26% | 0.259 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 177.1 | -173.5 | -116.5 | 0 | 0 | 0 | 112.6 | R69 L73 K90 V91 L96 M97 L98 | R69-F94 HydrophobicContact CB-CE1 4.04Å; L73-F94 HydrophobicContact CB-CD1 4.39Å; L73-F94 HydrophobicContact CB-CE1 4.41Å; L73-F94 HydrophobicContact CD2-CB 3.71Å; L73-F94 HydrophobicContact CD2-CD1 3.58Å; L73-F94 HydrophobicContact CD2-CD2 4.3Å; L73-F94 HydrophobicContact CD2-CE1 4.2Å; L73-F94 HydrophobicContact CD2-CG 3.62Å; K90-F94 WeakPolarHBondContact O-CB 3.26Å; K90-F94 PolarHBondContact O-N 2.93Å; V91-F94 PolarHBondContact O-N 3.39Å; F94-L96 PolarHBondContact O-N 3.4Å; F94-M97 WeakPolarHBondContact O-CB 3.47Å; F94-M97 PolarHBondContact O-N 3.33Å; F94-L98 HydrophobicContact CD1-CD1 3.86Å; F94-L98 HydrophobicContact CD1-CG 4.38Å; F94-L98 HydrophobicContact CE1-CD1 3.43Å; F94-L98 VanDerWaalsContact CE1-CD1 3.43Å; F94-L98 HydrophobicContact CE1-CG 4.1Å; F94-L98 HydrophobicContact CE2-CD1 4.46Å; F94-L98 HydrophobicContact CE2-CD2 4.38Å; F94-L98 HydrophobicContact CE2-CG 4.29Å; F94-L98 HydrophobicContact CZ-CD1 3.76Å; F94-L98 HydrophobicContact CZ-CD2 4.14Å; F94-L98 HydrophobicContact CZ-CG 4.04Å; F94-L98 WeakPolarHBondContact O-CG 3.47Å; F94-L98 PolarHBondContact O-N 3.23Å |
| 95 | R | 95 | Very high | 88.9 | Confident | 99 Ų | 99 | 85.8 Ų | 85.8 | 37% | 0.374 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.4 | -47.6 | 174.3 | -175 | -173.9 | -84.1 | 139.8 | 1.7 | 111.2 | V66 E67 V91 A92 L98 L99 | V66-R95 HydrophobicContact CG1-CG 4.23Å; E67-R95 IonicContact OE1-CZ 3.64Å; E67-R95 IonicContact OE1-NE 2.92Å; E67-R95 PolarHBondContact OE1-NE 3.45Å; E67-R95 IonicContact OE1-NH2 3.66Å; E67-R95 IonicContact OE2-CZ 3.48Å; E67-R95 IonicContact OE2-NE 3.38Å; E67-R95 PolarHBondContact OE2-NE 2.96Å; E67-R95 IonicContact OE2-NH2 2.76Å; E67-R95 PolarHBondContact OE2-NH2 3.44Å; V91-R95 WeakPolarHBondContact O-CB 3.13Å; V91-R95 PolarHBondContact O-N 2.67Å; A92-R95 PolarHBondContact O-N 3.45Å; R95-L98 PolarHBondContact O-N 3.32Å; R95-L99 HydrophobicContact CG-CD1 4.26Å; R95-L99 WeakPolarHBondContact O-CG 3.21Å; R95-L99 PolarHBondContact O-N 3.35Å |
| 96 | L | 94.6 | Very high | 86.7 | Confident | 113 Ų | 113 | 82.6 Ų | 82.6 | 59% | 0.592 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.9 | -44.8 | 176.5 | -68.8 | 173.6 | 0 | 0 | 0 | 111.7 | A92 T93 F94 L98 L99 E100 | A92-L96 PolarHBondContact O-N 3.18Å; T93-L96 PolarHBondContact O-N 2.9Å; F94-L96 PolarHBondContact O-N 3.4Å; L96-L98 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 3.23Å; L96-L99 PolarHBondContact O-N 3.44Å; L96-E100 WeakPolarHBondContact O-CG 3.48Å; L96-E100 PolarHBondContact O-N 3.36Å |
| 97 | M | 92.9 | Very high | 84.5 | Confident | 91 Ų | 91 | 83 Ų | 83 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 178.4 | -165 | -156.3 | -160.9 | 0 | 0 | 112.6 | T93 F94 K101 | T93-M97 PolarHBondContact O-N 2.97Å; F94-M97 WeakPolarHBondContact O-CB 3.47Å; F94-M97 PolarHBondContact O-N 3.33Å; M97-K101 VanDerWaalsContact CE-NZ 3.3Å; M97-K101 VanDerWaalsContact O-CG 3.31Å; M97-K101 WeakPolarHBondContact O-CG 3.48Å; M97-K101 PolarHBondContact O-N 2.8Å; M97-K101 VanDerWaalsContact O-N 3.15Å; M97-K101 PolarHBondContact SD-NZ 3.07Å; M97-K101 VanDerWaalsContact SD-NZ 3.35Å |
| 98 | L | 92.1 | Very high | 82.4 | Confident | 25 Ų | 25 | 88.3 Ų | 88.3 | 13% | 0.131 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -70.6 | -40.5 | 178.1 | -73.4 | -178.8 | 0 | 0 | 0 | 112.1 | V66 R69 F94 R95 L96 E100 K101 D102 | V66-L98 HydrophobicContact CG1-CB 3.94Å; V66-L98 HydrophobicContact CG1-CD1 4.18Å; V66-L98 HydrophobicContact CG2-CB 4.25Å; R69-L98 HydrophobicContact CB-CD1 3.65Å; R69-L98 HydrophobicContact CG-CD1 4.39Å; F94-L98 HydrophobicContact CD1-CD1 3.86Å; F94-L98 HydrophobicContact CD1-CG 4.38Å; F94-L98 HydrophobicContact CE1-CD1 3.43Å; F94-L98 VanDerWaalsContact CE1-CD1 3.43Å; F94-L98 HydrophobicContact CE1-CG 4.1Å; F94-L98 HydrophobicContact CE2-CD1 4.46Å; F94-L98 HydrophobicContact CE2-CD2 4.38Å; F94-L98 HydrophobicContact CE2-CG 4.29Å; F94-L98 HydrophobicContact CZ-CD1 3.76Å; F94-L98 HydrophobicContact CZ-CD2 4.14Å; F94-L98 HydrophobicContact CZ-CG 4.04Å; F94-L98 WeakPolarHBondContact O-CG 3.47Å; F94-L98 PolarHBondContact O-N 3.23Å; R95-L98 PolarHBondContact O-N 3.32Å; L96-L98 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 3.23Å; L98-E100 PolarHBondContact O-N 3.49Å; L98-K101 PolarHBondContact O-N 2.98Å; L98-D102 PolarHBondContact O-N 3.45Å |
| 99 | L | 90.6 | Very high | 80 | Confident | 78 Ų | 78 | 90.8 Ų | 90.8 | 41% | 0.408 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 175.2 | -71.3 | 171.5 | 0 | 0 | 0 | 111.4 | V66 R95 L96 K101 D102 V103 | V66-L99 HydrophobicContact CG1-CD2 4.42Å; V66-L99 HydrophobicContact CG1-CG 4.41Å; V66-L99 HydrophobicContact CG2-CD2 4.34Å; R95-L99 HydrophobicContact CG-CD1 4.26Å; R95-L99 WeakPolarHBondContact O-CG 3.21Å; R95-L99 PolarHBondContact O-N 3.35Å; L96-L99 PolarHBondContact O-N 3.44Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 2.96Å; L99-D102 PolarHBondContact O-N 3.47Å; L99-V103 VanDerWaalsContact O-CG2 3.26Å; L99-V103 WeakPolarHBondContact O-CG2 3.45Å; L99-V103 PolarHBondContact O-N 3.06Å |
| 100 | E | 90.1 | Very high | 77.8 | Confident | 140 Ų | 140 | 92.9 Ų | 92.9 | 65% | 0.654 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.2 | -41.1 | 175.7 | -73.6 | 179 | 179.1 | 0 | 0 | 112.4 | L96 L98 N104 | L96-E100 WeakPolarHBondContact O-CG 3.48Å; L96-E100 PolarHBondContact O-N 3.36Å; L98-E100 PolarHBondContact O-N 3.49Å; E100-N104 PolarHBondContact O-N 2.93Å |
| 101 | K | 87.1 | Confident | 75.8 | Confident | 103 Ų | 103 | 92.1 Ų | 92.1 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 177.3 | -76.1 | 172.9 | 179 | 172.7 | 0 | 113 | M97 L98 L99 N104 | M97-K101 VanDerWaalsContact CE-NZ 3.3Å; M97-K101 VanDerWaalsContact O-CG 3.31Å; M97-K101 WeakPolarHBondContact O-CG 3.48Å; M97-K101 PolarHBondContact O-N 2.8Å; M97-K101 VanDerWaalsContact O-N 3.15Å; M97-K101 PolarHBondContact SD-NZ 3.07Å; M97-K101 VanDerWaalsContact SD-NZ 3.35Å; L98-K101 PolarHBondContact O-N 2.98Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 2.96Å; K101-N104 CarbonylContact O-C 3.58Å; K101-N104 PolarHBondContact O-N 3.43Å |
| 102 | D | 78.9 | Confident | 73.4 | Confident | 44 Ų | 44 | 98.1 Ų | 98.1 | 24% | 0.235 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -78.5 | -23.6 | -179.4 | -78.1 | -23.8 | 0 | 0 | 0 | 113 | V66 L98 L99 N104 P105 K108 | V66-D102 WeakPolarHBondContact CG2-OD2 3.41Å; L98-D102 PolarHBondContact O-N 3.45Å; L99-D102 PolarHBondContact O-N 3.47Å; D102-N104 VanDerWaalsContact C-N 3.25Å; D102-P105 WeakPolarHBondContact O-CD 3.41Å; D102-K108 IonicContact OD1-NZ 2.9Å; D102-K108 PolarHBondContact OD1-NZ 3.39Å |
| 103 | V | 71.4 | Confident | 71.6 | Confident | 124 Ų | 124 | 99.9 Ų | 99.9 | 75% | 0.752 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.1 | -25.4 | 168.9 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | L99 P105 | L99-V103 VanDerWaalsContact O-CG2 3.26Å; L99-V103 WeakPolarHBondContact O-CG2 3.45Å; L99-V103 PolarHBondContact O-N 3.06Å; V103-P105 WeakPolarHBondContact O-CD 3.47Å |
| 104 | N | 63.4 | Low | 69.9 | Low | 115 Ų | 115 | 102.9 Ų | 102.9 | 62% | 0.615 | 57% | 0.574 | S | S | * | * | trans | -115.4 | 62.9 | 178.8 | -143.7 | 1 | 0 | 0 | 0 | 112.3 | E100 K101 D102 G106 A107 | E100-N104 PolarHBondContact O-N 2.93Å; K101-N104 CarbonylContact O-C 3.58Å; K101-N104 PolarHBondContact O-N 3.43Å; D102-N104 VanDerWaalsContact C-N 3.25Å; N104-G106 PolarHBondContact O-N 3.06Å; N104-G106 VanDerWaalsContact O-N 3.12Å; N104-A107 PolarHBondContact O-N 2.99Å | ||
| 105 | P | 57.6 | Low | 68.3 | Low | 81 Ų | 81 | 110.6 Ų | 110.6 | 53% | 0.526 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -68.2 | -13.2 | -175 | 30.5 | -35.6 | 0 | 0 | 0 | 113.1 | D102 V103 A107 K108 | D102-P105 WeakPolarHBondContact O-CD 3.41Å; V103-P105 WeakPolarHBondContact O-CD 3.47Å; P105-A107 PolarHBondContact O-N 3.13Å; P105-A107 VanDerWaalsContact O-N 3.1Å; P105-K108 PolarHBondContact O-N 2.91Å; P105-K108 VanDerWaalsContact O-N 3.1Å |
| 106 | G | 48.4 | Very low | 66.8 | Low | 77 Ų | 77 | 109.3 Ų | 109.3 | 79% | 0.794 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -64.5 | -8.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N104 | N104-G106 PolarHBondContact O-N 3.06Å; N104-G106 VanDerWaalsContact O-N 3.12Å |
| 107 | A | 47.5 | Very low | 65.5 | Low | 85 Ų | 85 | 110.7 Ų | 110.7 | 70% | 0.702 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -93.3 | -5.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | N104 P105 E109 | N104-A107 PolarHBondContact O-N 2.99Å; P105-A107 PolarHBondContact O-N 3.13Å; P105-A107 VanDerWaalsContact O-N 3.1Å; A107-E109 PolarHBondContact O-N 2.99Å |
| 108 | K | 50.2 | Low | 64.6 | Low | 117 Ų | 117 | 107.9 Ų | 107.9 | 51% | 0.509 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -81.1 | 112.2 | 174 | -73.9 | 176.8 | -175.2 | 161.1 | 0 | 108.5 | D102 P105 E110 | D102-K108 IonicContact OD1-NZ 2.9Å; D102-K108 PolarHBondContact OD1-NZ 3.39Å; P105-K108 PolarHBondContact O-N 2.91Å; P105-K108 VanDerWaalsContact O-N 3.1Å; K108-E110 PolarHBondContact O-N 3.18Å |
| 109 | E | 44.7 | Very low | 63.8 | Low | 177 Ų | 177 | 112.2 Ų | 112.2 | 83% | 0.827 | 63% | 0.634 | S | S | * | * | trans | -51.3 | 102 | 168.2 | -64.8 | -174.5 | 157.8 | 0 | 0 | 109.2 | A107 T111 | A107-E109 PolarHBondContact O-N 2.99Å; E109-T111 PolarHBondContact O-N 2.92Å | ||
| 110 | E | 50.6 | Low | 63.5 | Low | 183 Ų | 183 | 112.2 Ų | 112.2 | 86% | 0.855 | 63% | 0.632 | S | S | * | * | trans | -65.7 | 94.3 | 159 | -67 | -167.6 | 178.5 | 0 | 0 | 106 | K108 P112 | K108-E110 PolarHBondContact O-N 3.18Å; E110-P112 WeakPolarHBondContact O-CD 3.19Å | ||
| 111 | T | 52.4 | Low | 63.2 | Low | 77 Ų | 77 | 110.3 Ų | 110.3 | 47% | 0.472 | 63% | 0.63 | S | S | . | * | trans | -55.3 | 113.5 | 172.9 | 27.8 | 0 | 0 | 0 | 0 | 107.9 | E109 G113 Q114 | E109-T111 PolarHBondContact O-N 2.92Å; T111-G113 PolarHBondContact O-N 2.95Å; T111-Q114 PolarHBondContact O-N 3.15Å | ||
| 112 | P | 46.7 | Very low | 63.2 | Low | 135 Ų | 135 | 107.7 Ų | 107.7 | 88% | 0.877 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 111 | -172.7 | 24.4 | -31.6 | 0 | 0 | 0 | 108.8 | E110 | E110-P112 WeakPolarHBondContact O-CD 3.19Š|
| 113 | G | 57.5 | Low | 63.5 | Low | 83 Ų | 83 | 107.1 Ų | 107.1 | 86% | 0.856 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.5 | -10.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T111 | T111-G113 PolarHBondContact O-N 2.95Š|
| 114 | Q | 60.8 | Low | 64.2 | Low | 154 Ų | 154 | 104.5 Ų | 104.5 | 72% | 0.72 | 60% | 0.597 | S | S | * | * | trans | -86.7 | 117.1 | 176 | -158.4 | 157.8 | 21.8 | 0 | 0 | 110.4 | T111 | T111-Q114 PolarHBondContact O-N 3.15Š| ||
| 115 | R | 62 | Low | 65.3 | Low | 221 Ų | 221 | 100 Ų | 100 | 83% | 0.834 | 58% | 0.576 | S | S | * | * | trans | -65 | 126.4 | 171.9 | -70.2 | -179.2 | -179.7 | 176.1 | 0.4 | 107.8 | V117 | R115-V117 PolarHBondContact O-N 3.33Š| ||
| 116 | P | 64.2 | Low | 66.7 | Low | 72 Ų | 72 | 98.1 Ų | 98.1 | 47% | 0.468 | 56% | 0.56 | S | S | . | * | trans | -63.1 | 115.8 | 175.5 | 26.1 | -33.1 | 0 | 0 | 0 | 108.1 | V118 L127 | P116-V118 HydrophobicContact CB-CG2 3.93Å; P116-V118 PolarHBondContact O-N 3.38Å; P116-L127 HydrophobicContact CB-CD1 4.12Å; P116-L127 HydrophobicContact CG-CD1 3.67Å; P116-L127 HydrophobicContact CG-CD2 4.4Å | ||
| 117 | V | 67.2 | Low | 68.5 | Low | 142 Ų | 142 | 96.6 Ų | 96.6 | 86% | 0.861 | 53% | 0.534 | S | S | * | . | trans | -78.9 | 82.7 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 106.4 | R115 | R115-V117 PolarHBondContact O-N 3.33Š| ||
| 118 | V | 72.9 | Confident | 70.4 | Confident | 33 Ų | 33 | 96.2 Ų | 96.2 | 20% | 0.2 | 52% | 0.52 | C | S | . | . | trans | -110.8 | 121.4 | -179.6 | 172.1 | 0 | 0 | 0 | 0 | 107.8 | P116 Q123 L124 L127 | P116-V118 HydrophobicContact CB-CG2 3.93Å; P116-V118 PolarHBondContact O-N 3.38Å; V118-Q123 HydrophobicContact CG1-CB 3.35Å; V118-Q123 HydrophobicContact CG1-CG 4.32Å; V118-Q123 VanDerWaalsContact CG1-OE1 3.26Å; V118-L124 HydrophobicContact CB-CD2 4.26Å; V118-L124 HydrophobicContact CG1-CD2 4.33Å; V118-L124 HydrophobicContact CG1-CG 4.13Å; V118-L124 WeakPolarHBondContact O-CD2 3.11Å; V118-L127 HydrophobicContact CB-CD1 4.27Å; V118-L127 HydrophobicContact CG2-CD1 4.01Å | ||
| 119 | T | 76.1 | Confident | 72.1 | Confident | 116 Ų | 116 | 94 Ų | 94 | 71% | 0.712 | 51% | 0.511 | S | S | * | . | trans | -92.8 | -21.3 | 178 | 49.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 120 | E | 83.3 | Confident | 74.2 | Confident | 77 Ų | 77 | 90.7 Ų | 90.7 | 36% | 0.36 | 49% | 0.494 | S | S | . | . | trans | -76.9 | 133.7 | -173.9 | -58.7 | -58 | 163.6 | 0 | 0 | 112.7 | H122 Q123 L124 | E120-H122 PolarHBondContact O-N 2.93Å; E120-Q123 HydrophobicContact CB-CB 4.25Å; E120-Q123 HydrophobicContact CB-CG 4.13Å; E120-Q123 PolarHBondContact O-N 2.85Å; E120-L124 WeakPolarHBondContact O-CB 3.37Å; E120-L124 VanDerWaalsContact O-CG 3.32Å; E120-L124 WeakPolarHBondContact O-CG 3.42Å; E120-L124 PolarHBondContact O-N 3.47Å | ||
| 121 | T | 84.8 | Confident | 76 | Confident | 100 Ų | 100 | 87.3 Ų | 87.3 | 61% | 0.613 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.7 | -40 | -172 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | A125 | T121-A125 PolarHBondContact O-N 3.41Å |
| 122 | H | 86.2 | Confident | 77.7 | Confident | 49 Ų | 49 | 88.4 Ų | 88.4 | 23% | 0.227 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -77.9 | -35.2 | -178.7 | -71.1 | -74.8 | 0 | 0 | 0 | 112.8 | N54 I57 L58 E120 L124 A125 E126 | N54-H122 PolarHBondContact N-ND1 3.04Å; I57-H122 WeakPolarHBondContact CD1-NE2 3.28Å; I57-H122 HydrophobicContact CG2-CB 4.22Å; L58-H122 HydrophobicContact CD2-CB 4.17Å; E120-H122 PolarHBondContact O-N 2.93Å; H122-L124 VanDerWaalsContact C-N 3.33Å; H122-A125 WeakPolarHBondContact O-CB 3.4Å; H122-A125 PolarHBondContact O-N 2.73Å; H122-E126 PolarHBondContact O-N 3.43Å |
| 123 | Q | 85.9 | Confident | 79.7 | Confident | 32 Ų | 32 | 87.1 Ų | 87.1 | 15% | 0.15 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 171.6 | -65.9 | 178.5 | 14.6 | 0 | 0 | 111.1 | L58 E61 V118 E120 A125 E126 L127 | L58-Q123 HydrophobicContact CD2-CB 4.48Å; L58-Q123 HydrophobicContact CD2-CG 3.81Å; E61-Q123 VanDerWaalsContact OE2-CD 3.3Å; E61-Q123 WeakPolarHBondContact OE2-CG 3.44Å; E61-Q123 PolarHBondContact OE2-NE2 3.22Å; V118-Q123 HydrophobicContact CG1-CB 3.35Å; V118-Q123 HydrophobicContact CG1-CG 4.32Å; V118-Q123 VanDerWaalsContact CG1-OE1 3.26Å; E120-Q123 HydrophobicContact CB-CB 4.25Å; E120-Q123 HydrophobicContact CB-CG 4.13Å; E120-Q123 PolarHBondContact O-N 2.85Å; Q123-A125 VanDerWaalsContact C-N 3.33Å; Q123-E126 PolarHBondContact O-N 3.4Å; Q123-L127 WeakPolarHBondContact O-CB 3.32Å; Q123-L127 VanDerWaalsContact O-CG 3.28Å; Q123-L127 WeakPolarHBondContact O-CG 3.49Å; Q123-L127 PolarHBondContact O-N 2.99Å |
| 124 | L | 85.5 | Confident | 81.2 | Confident | 68 Ų | 68 | 92.8 Ų | 92.8 | 36% | 0.356 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 171.8 | -74.4 | 172.4 | 0 | 0 | 0 | 112.1 | V118 E120 H122 L127 N128 | V118-L124 HydrophobicContact CB-CD2 4.26Å; V118-L124 HydrophobicContact CG1-CD2 4.33Å; V118-L124 HydrophobicContact CG1-CG 4.13Å; V118-L124 WeakPolarHBondContact O-CD2 3.11Å; E120-L124 WeakPolarHBondContact O-CB 3.37Å; E120-L124 VanDerWaalsContact O-CG 3.32Å; E120-L124 WeakPolarHBondContact O-CG 3.42Å; E120-L124 PolarHBondContact O-N 3.47Å; H122-L124 VanDerWaalsContact C-N 3.33Å; L124-L127 PolarHBondContact O-N 2.86Å; L124-N128 WeakPolarHBondContact O-CB 3.32Å; L124-N128 PolarHBondContact O-N 3.03Å; L124-N128 PolarHBondContact O-ND2 3.04Å |
| 125 | A | 86.3 | Confident | 82.6 | Confident | 22 Ų | 22 | 89.8 Ų | 89.8 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P53 T121 H122 Q123 L127 N128 E129 | P53-A125 HydrophobicContact CB-CB 4.2Å; T121-A125 PolarHBondContact O-N 3.41Å; H122-A125 WeakPolarHBondContact O-CB 3.4Å; H122-A125 PolarHBondContact O-N 2.73Å; Q123-A125 VanDerWaalsContact C-N 3.33Å; A125-L127 PolarHBondContact O-N 3.38Å; A125-N128 PolarHBondContact O-N 2.77Å; A125-E129 WeakPolarHBondContact O-CB 3.1Å; A125-E129 PolarHBondContact O-N 3.35Å |
| 126 | E | 87.1 | Confident | 83.8 | Confident | 41 Ų | 41 | 83 Ų | 83 | 19% | 0.192 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.4 | -170 | -169.1 | 171.5 | 0 | 0 | 111.7 | P53 L58 H122 Q123 N128 E129 K130 | P53-E126 HydrophobicContact CB-CB 4.16Å; P53-E126 HydrophobicContact CG-CB 4.23Å; L58-E126 HydrophobicContact CD1-CB 4.3Å; L58-E126 HydrophobicContact CD1-CG 4.34Å; L58-E126 WeakPolarHBondContact CD1-OE2 3.21Å; H122-E126 PolarHBondContact O-N 3.43Å; Q123-E126 PolarHBondContact O-N 3.4Å; E126-N128 VanDerWaalsContact C-N 3.34Å; E126-N128 PolarHBondContact O-N 2.84Å; E126-E129 PolarHBondContact O-N 2.88Å; E126-K130 WeakPolarHBondContact O-CG 3.42Å; E126-K130 PolarHBondContact O-N 2.58Å; E126-K130 WeakPolarHBondContact OE1-CE 3.23Å; E126-K130 IonicContact OE1-NZ 2.71Å; E126-K130 PolarHBondContact OE1-NZ 3.29Å |
| 127 | L | 86.9 | Confident | 85 | Confident | 45 Ų | 45 | 83.2 Ų | 83.2 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 176.1 | -72.8 | 174.5 | 0 | 0 | 0 | 112.3 | P116 V118 Q123 L124 A125 K131 | P116-L127 HydrophobicContact CB-CD1 4.12Å; P116-L127 HydrophobicContact CG-CD1 3.67Å; P116-L127 HydrophobicContact CG-CD2 4.4Å; V118-L127 HydrophobicContact CB-CD1 4.27Å; V118-L127 HydrophobicContact CG2-CD1 4.01Å; Q123-L127 WeakPolarHBondContact O-CB 3.32Å; Q123-L127 VanDerWaalsContact O-CG 3.28Å; Q123-L127 WeakPolarHBondContact O-CG 3.49Å; Q123-L127 PolarHBondContact O-N 2.99Å; L124-L127 PolarHBondContact O-N 2.86Å; A125-L127 PolarHBondContact O-N 3.38Å; L127-K131 WeakPolarHBondContact O-CB 3.32Å; L127-K131 WeakPolarHBondContact O-CG 3.5Å; L127-K131 PolarHBondContact O-N 3.07Å |
| 128 | N | 87 | Confident | 86.3 | Confident | 76 Ų | 76 | 80.4 Ų | 80.4 | 41% | 0.406 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.3 | -38.9 | 176.3 | -73.9 | -19.6 | 0 | 0 | 0 | 111.4 | L124 A125 E126 K131 N132 | L124-N128 WeakPolarHBondContact O-CB 3.32Å; L124-N128 PolarHBondContact O-N 3.03Å; L124-N128 PolarHBondContact O-ND2 3.04Å; A125-N128 PolarHBondContact O-N 2.77Å; E126-N128 VanDerWaalsContact C-N 3.34Å; E126-N128 PolarHBondContact O-N 2.84Å; N128-K131 PolarHBondContact O-N 3.16Å; N128-N132 VanDerWaalsContact O-CB 3.32Å; N128-N132 WeakPolarHBondContact O-CB 3.3Å; N128-N132 PolarHBondContact O-N 3.15Å; N128-N132 PolarHBondContact O-ND2 3.39Å; N128-N132 PolarHBondContact O-OD1 3.08Å |
| 129 | E | 86.4 | Confident | 87.1 | Confident | 72 Ų | 72 | 86.5 Ų | 86.5 | 34% | 0.336 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 174 | -171.6 | 166.7 | -149.9 | 0 | 0 | 110.8 | P53 A125 E126 K131 N132 E133 | P53-E129 WeakPolarHBondContact CD-OE2 3.13Å; P53-E129 WeakPolarHBondContact CG-OE2 3.32Å; A125-E129 WeakPolarHBondContact O-CB 3.1Å; A125-E129 PolarHBondContact O-N 3.35Å; E126-E129 PolarHBondContact O-N 2.88Å; E129-K131 VanDerWaalsContact C-N 3.32Å; E129-K131 PolarHBondContact O-N 3.1Å; E129-N132 CarbonylContact O-C 3.37Å; E129-N132 WeakPolarHBondContact O-CB 3.49Å; E129-N132 PolarHBondContact O-N 3.32Å; E129-N132 VanDerWaalsContact O-N 3.07Å; E129-E133 WeakPolarHBondContact O-CG 3.42Å; E129-E133 PolarHBondContact O-N 3.22Å |
| 130 | K | 88.1 | Confident | 87.6 | Confident | 106 Ų | 106 | 84 Ų | 84 | 46% | 0.461 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.7 | -39.5 | 174.9 | -73.5 | 175.2 | -177.7 | 165.8 | 0 | 113.3 | E126 R134 | E126-K130 WeakPolarHBondContact O-CG 3.42Å; E126-K130 PolarHBondContact O-N 2.58Å; E126-K130 WeakPolarHBondContact OE1-CE 3.23Å; E126-K130 IonicContact OE1-NZ 2.71Å; E126-K130 PolarHBondContact OE1-NZ 3.29Å; K130-R134 WeakPolarHBondContact O-CB 3.37Å; K130-R134 PolarHBondContact O-N 3.4Å |
| 131 | K | 88.1 | Confident | 87.8 | Confident | 113 Ų | 113 | 83.5 Ų | 83.5 | 49% | 0.491 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 174.3 | -76.6 | 169.6 | -171.1 | 167.9 | 0 | 111.2 | L127 N128 E129 R134 L135 | L127-K131 WeakPolarHBondContact O-CB 3.32Å; L127-K131 WeakPolarHBondContact O-CG 3.5Å; L127-K131 PolarHBondContact O-N 3.07Å; N128-K131 PolarHBondContact O-N 3.16Å; E129-K131 VanDerWaalsContact C-N 3.32Å; E129-K131 PolarHBondContact O-N 3.1Å; K131-R134 PolarHBondContact O-N 2.93Å; K131-L135 WeakPolarHBondContact O-CB 3.08Å; K131-L135 WeakPolarHBondContact O-CG 3.34Å; K131-L135 PolarHBondContact O-N 3.46Å |
| 132 | N | 87.9 | Confident | 87.8 | Confident | 99 Ų | 99 | 81.1 Ų | 81.1 | 53% | 0.529 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 178.5 | -71.3 | -12.1 | 0 | 0 | 0 | 111.1 | N128 E129 L135 R136 | N128-N132 VanDerWaalsContact O-CB 3.32Å; N128-N132 WeakPolarHBondContact O-CB 3.3Å; N128-N132 PolarHBondContact O-N 3.15Å; N128-N132 PolarHBondContact O-ND2 3.39Å; N128-N132 PolarHBondContact O-OD1 3.08Å; E129-N132 CarbonylContact O-C 3.37Å; E129-N132 WeakPolarHBondContact O-CB 3.49Å; E129-N132 PolarHBondContact O-N 3.32Å; E129-N132 VanDerWaalsContact O-N 3.07Å; N132-L135 PolarHBondContact O-N 3.35Å; N132-R136 WeakPolarHBondContact O-CB 3.25Å; N132-R136 PolarHBondContact O-N 2.99Å |
| 133 | E | 89.1 | Confident | 87.6 | Confident | 109 Ų | 109 | 85.7 Ų | 85.7 | 51% | 0.509 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 172.9 | -72.9 | 173.4 | 172.3 | 0 | 0 | 111.7 | E129 L135 R136 A137 | E129-E133 WeakPolarHBondContact O-CG 3.42Å; E129-E133 PolarHBondContact O-N 3.22Å; E133-L135 VanDerWaalsContact C-N 3.34Å; E133-L135 PolarHBondContact O-N 3.37Å; E133-R136 WeakPolarHBondContact O-CB 3.39Å; E133-R136 PolarHBondContact O-N 2.94Å; E133-A137 WeakPolarHBondContact O-CB 3.47Å; E133-A137 PolarHBondContact O-N 2.92Å |
| 134 | R | 89.9 | Confident | 87.4 | Confident | 201 Ų | 201 | 87.1 Ų | 87.1 | 76% | 0.758 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.7 | -41.9 | 176.5 | -173.9 | 176.3 | -179.5 | 166.6 | 1.7 | 112 | K130 K131 A138 | K130-R134 WeakPolarHBondContact O-CB 3.37Å; K130-R134 PolarHBondContact O-N 3.4Å; K131-R134 PolarHBondContact O-N 2.93Å; R134-A138 WeakPolarHBondContact O-CB 3.34Å; R134-A138 PolarHBondContact O-N 2.96Å |
| 135 | L | 88.9 | Confident | 87.3 | Confident | 92 Ų | 92 | 87.4 Ų | 87.4 | 48% | 0.482 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 174.8 | -72.2 | 173.4 | 0 | 0 | 0 | 111.2 | K131 N132 E133 A137 A138 F139 | K131-L135 WeakPolarHBondContact O-CB 3.08Å; K131-L135 WeakPolarHBondContact O-CG 3.34Å; K131-L135 PolarHBondContact O-N 3.46Å; N132-L135 PolarHBondContact O-N 3.35Å; E133-L135 VanDerWaalsContact C-N 3.34Å; E133-L135 PolarHBondContact O-N 3.37Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 3.1Å; L135-A138 PolarHBondContact O-N 3.43Å; L135-A138 VanDerWaalsContact O-N 3.13Å; L135-F139 HydrophobicContact CB-CD2 4.33Å; L135-F139 HydrophobicContact CB-CE2 4.33Å; L135-F139 HydrophobicContact CD2-CE2 4.21Å; L135-F139 WeakPolarHBondContact O-CD2 3.41Å; L135-F139 PolarHBondContact O-N 3.08Å |
| 136 | R | 88.9 | Confident | 87 | Confident | 79 Ų | 79 | 90.9 Ų | 90.9 | 30% | 0.298 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.4 | -47.2 | 177.1 | -171.5 | -173.4 | -177 | 155.6 | 5.9 | 111 | N132 E133 F139 G140 I141 S142 D143 | N132-R136 WeakPolarHBondContact O-CB 3.25Å; N132-R136 PolarHBondContact O-N 2.99Å; E133-R136 WeakPolarHBondContact O-CB 3.39Å; E133-R136 PolarHBondContact O-N 2.94Å; R136-F139 PolarHBondContact O-N 3.14Å; R136-G140 PolarHBondContact O-N 3.1Å; R136-I141 HydrophobicContact CG-CB 3.63Å; R136-I141 HydrophobicContact CG-CG2 3.82Å; R136-I141 WeakPolarHBondContact CG-O 3.32Å; R136-I141 PolarHBondContact O-N 3.34Å; R136-S142 PolarHBondContact NE-O 3.18Å; R136-S142 PolarHBondContact NH2-O 2.76Å; R136-D143 VanDerWaalsContact NH2-CA 3.26Å; R136-D143 PolarHBondContact NH2-O 2.65Å |
| 137 | A | 89.6 | Confident | 86.6 | Confident | 76 Ų | 76 | 94.3 Ų | 94.3 | 63% | 0.628 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.2 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | E133 L135 F139 G140 | E133-A137 WeakPolarHBondContact O-CB 3.47Å; E133-A137 PolarHBondContact O-N 2.92Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 3.1Å; A137-F139 VanDerWaalsContact C-N 3.34Å; A137-F139 PolarHBondContact O-N 3.27Å; A137-G140 PolarHBondContact O-N 2.95Å |
| 138 | A | 92.7 | Very high | 86.1 | Confident | 83 Ų | 83 | 95.1 Ų | 95.1 | 69% | 0.686 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.1 | -36.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R134 L135 G140 | R134-A138 WeakPolarHBondContact O-CB 3.34Å; R134-A138 PolarHBondContact O-N 2.96Å; L135-A138 PolarHBondContact O-N 3.43Å; L135-A138 VanDerWaalsContact O-N 3.13Å; A138-G140 PolarHBondContact O-N 3.23Å |
| 139 | F | 90.4 | Very high | 85.8 | Confident | 160 Ų | 160 | 92.2 Ų | 92.2 | 70% | 0.702 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.8 | 174.5 | -72 | -64.1 | 0 | 0 | 0 | 113.4 | L135 R136 A137 I141 | L135-F139 HydrophobicContact CB-CD2 4.33Å; L135-F139 HydrophobicContact CB-CE2 4.33Å; L135-F139 HydrophobicContact CD2-CE2 4.21Å; L135-F139 WeakPolarHBondContact O-CD2 3.41Å; L135-F139 PolarHBondContact O-N 3.08Å; R136-F139 PolarHBondContact O-N 3.14Å; A137-F139 VanDerWaalsContact C-N 3.34Å; A137-F139 PolarHBondContact O-N 3.27Å; F139-I141 VanDerWaalsContact C-N 3.26Å; F139-I141 HydrophobicContact CB-CD1 4.02Å; F139-I141 HydrophobicContact CB-CG1 4.01Å; F139-I141 PolarHBondContact O-N 2.92Å |
| 140 | G | 87.6 | Confident | 85.3 | Confident | 64 Ų | 64 | 92.3 Ų | 92.3 | 66% | 0.66 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 25.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R136 A137 A138 S142 | R136-G140 PolarHBondContact O-N 3.1Å; A137-G140 PolarHBondContact O-N 2.95Å; A138-G140 PolarHBondContact O-N 3.23Å; G140-S142 PolarHBondContact O-N 3.02Å |
| 141 | I | 86.3 | Confident | 84.8 | Confident | 66 Ų | 66 | 96.7 Ų | 96.7 | 34% | 0.338 | 54% | 0.535 | S | S | . | . | trans | -79 | 119 | 177.7 | -61.4 | 171.4 | 0 | 0 | 0 | 107.9 | R136 F139 Y145 | R136-I141 HydrophobicContact CG-CB 3.63Å; R136-I141 HydrophobicContact CG-CG2 3.82Å; R136-I141 WeakPolarHBondContact CG-O 3.32Å; R136-I141 PolarHBondContact O-N 3.34Å; F139-I141 VanDerWaalsContact C-N 3.26Å; F139-I141 HydrophobicContact CB-CD1 4.02Å; F139-I141 HydrophobicContact CB-CG1 4.01Å; F139-I141 PolarHBondContact O-N 2.92Å; I141-Y145 VanDerWaalsContact CG2-CB 3.48Å; I141-Y145 HydrophobicContact CG2-CD1 3.76Å; I141-Y145 HydrophobicContact CG2-CD2 4.1Å; I141-Y145 HydrophobicContact CG2-CG 3.51Å | ||
| 142 | S | 84.1 | Confident | 84.4 | Confident | 50 Ų | 50 | 95.6 Ų | 95.6 | 35% | 0.35 | 54% | 0.535 | S | S | . | . | trans | -65.5 | 155.3 | -179.3 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | R136 G140 S144 Y145 | R136-S142 PolarHBondContact NE-O 3.18Å; R136-S142 PolarHBondContact NH2-O 2.76Å; G140-S142 PolarHBondContact O-N 3.02Å; S142-S144 PolarHBondContact O-N 3.07Å; S142-S144 PolarHBondContact OG-OG 3.01Å; S142-Y145 WeakPolarHBondContact O-CB 3.45Å; S142-Y145 PolarHBondContact O-N 2.96Å | ||
| 143 | D | 83.1 | Confident | 83.9 | Confident | 146 Ų | 146 | 96.7 Ų | 96.7 | 78% | 0.781 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.6 | 178.1 | -66.2 | -29.1 | 0 | 0 | 0 | 113.2 | R136 Y145 | R136-D143 VanDerWaalsContact NH2-CA 3.26Å; R136-D143 PolarHBondContact NH2-O 2.65Å; D143-Y145 VanDerWaalsContact C-N 3.27Å; D143-Y145 PolarHBondContact O-N 3.16Å |
| 144 | S | 81.8 | Confident | 83.4 | Confident | 62 Ų | 62 | 97.4 Ų | 97.4 | 43% | 0.434 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.4 | 2.2 | 175.3 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | S142 V146 Q162 | S142-S144 PolarHBondContact O-N 3.07Å; S142-S144 PolarHBondContact OG-OG 3.01Å; S144-V146 PolarHBondContact O-N 3.34Å; S144-Q162 PolarHBondContact OG-OE1 3.17Å; S144-Q162 VanDerWaalsContact OG-OE1 3.14Å |
| 145 | Y | 82.3 | Confident | 82.7 | Confident | 73 Ų | 73 | 90.3 Ų | 90.3 | 29% | 0.286 | 52% | 0.524 | S | S | . | . | trans | -62.9 | 126.3 | 175.4 | 178.7 | -94.4 | 0 | 0 | 0 | 110.8 | I141 S142 D143 D147 R155 | I141-Y145 VanDerWaalsContact CG2-CB 3.48Å; I141-Y145 HydrophobicContact CG2-CD1 3.76Å; I141-Y145 HydrophobicContact CG2-CD2 4.1Å; I141-Y145 HydrophobicContact CG2-CG 3.51Å; S142-Y145 WeakPolarHBondContact O-CB 3.45Å; S142-Y145 PolarHBondContact O-N 2.96Å; D143-Y145 VanDerWaalsContact C-N 3.27Å; D143-Y145 PolarHBondContact O-N 3.16Å; Y145-D147 HydrophobicContact CE1-CB 4.31Å; Y145-R155 VanDerWaalsContact CE2-NH2 3.32Å | ||
| 146 | V | 80.8 | Confident | 81.8 | Confident | 95 Ų | 95 | 96 Ų | 96 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | trans | -111.9 | 125.8 | 174.9 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | S144 S149 | S144-V146 PolarHBondContact O-N 3.34Å; V146-S149 WeakPolarHBondContact O-CB 3.42Å; V146-S149 PolarHBondContact O-N 2.67Å; V146-S149 PolarHBondContact O-OG 3.08Å | ||
| 147 | D | 78.4 | Confident | 81.1 | Confident | 114 Ų | 114 | 94.9 Ų | 94.9 | 61% | 0.61 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 147.1 | 179.1 | -160.3 | 11.6 | 0 | 0 | 0 | 111.7 | Y145 S149 | Y145-D147 HydrophobicContact CE1-CB 4.31Å; D147-S149 PolarHBondContact O-N 3.12Å; D147-S149 VanDerWaalsContact O-N 3.15Å |
| 148 | G | 77.3 | Confident | 80.4 | Confident | 62 Ų | 62 | 98.6 Ų | 98.6 | 64% | 0.639 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -10.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S150 | G148-S150 PolarHBondContact O-N 2.74Å; G148-S150 VanDerWaalsContact O-N 3.14Å |
| 149 | S | 79.3 | Confident | 79.5 | Confident | 14 Ų | 14 | 97.4 Ų | 97.4 | 10% | 0.098 | 53% | 0.525 | C | S | . | . | G | 310 helix | trans | -75.5 | 4.4 | 179.3 | 69.5 | 0 | 0 | 0 | 0 | 114.7 | V146 D147 F151 D152 R155 | V146-S149 WeakPolarHBondContact O-CB 3.42Å; V146-S149 PolarHBondContact O-N 2.67Å; V146-S149 PolarHBondContact O-OG 3.08Å; D147-S149 PolarHBondContact O-N 3.12Å; D147-S149 VanDerWaalsContact O-N 3.15Å; S149-F151 PolarHBondContact O-N 3.12Å; S149-F151 VanDerWaalsContact O-N 3.16Å; S149-D152 WeakPolarHBondContact CA-OD2 3.23Å; S149-D152 VanDerWaalsContact CB-OD2 3.3Å; S149-D152 WeakPolarHBondContact CB-OD2 3.39Å; S149-D152 WeakPolarHBondContact O-CB 3.49Å; S149-D152 PolarHBondContact O-N 3.12Å; S149-D152 VanDerWaalsContact O-N 3.07Å; S149-R155 WeakPolarHBondContact O-CD 3.44Å; S149-R155 WeakPolarHBondContact OG-CD 3.43Å; S149-R155 PolarHBondContact OG-NH1 2.98Å |
| 150 | S | 77.6 | Confident | 78.5 | Confident | 74 Ų | 74 | 93 Ų | 93 | 52% | 0.517 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -60.4 | -26.2 | -174.1 | -62.1 | 0 | 0 | 0 | 0 | 114.5 | G148 R155 | G148-S150 PolarHBondContact O-N 2.74Å; G148-S150 VanDerWaalsContact O-N 3.14Å; S150-R155 VanDerWaalsContact CA-NH1 3.28Å; S150-R155 PolarHBondContact OG-NH1 2.91Å |
| 151 | F | 77.7 | Confident | 77.7 | Confident | 198 Ų | 198 | 98 Ų | 98 | 87% | 0.868 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -99.2 | 2.3 | 178.1 | -64.6 | -74.6 | 0 | 0 | 0 | 113.9 | S149 P153 | S149-F151 PolarHBondContact O-N 3.12Å; S149-F151 VanDerWaalsContact O-N 3.16Å; F151-P153 VanDerWaalsContact O-CD 3.32Å; F151-P153 WeakPolarHBondContact O-CD 3.41Å |
| 152 | D | 78.7 | Confident | 76.7 | Confident | 91 Ų | 91 | 100.6 Ų | 100.6 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | trans | -70.2 | 120.4 | -178.7 | -74.6 | -30 | 0 | 0 | 0 | 111.3 | S149 Q154 R155 | S149-D152 WeakPolarHBondContact CA-OD2 3.23Å; S149-D152 VanDerWaalsContact CB-OD2 3.3Å; S149-D152 WeakPolarHBondContact CB-OD2 3.39Å; S149-D152 WeakPolarHBondContact O-CB 3.49Å; S149-D152 PolarHBondContact O-N 3.12Å; S149-D152 VanDerWaalsContact O-N 3.07Å; D152-Q154 PolarHBondContact O-N 3.35Å; D152-Q154 VanDerWaalsContact O-N 3.1Å; D152-R155 HydrophobicContact CB-CB 4.02Å; D152-R155 WeakPolarHBondContact O-CB 3.24Å; D152-R155 PolarHBondContact O-N 2.84Å | ||
| 153 | P | 77.4 | Confident | 75.8 | Confident | 122 Ų | 122 | 104.7 Ų | 104.7 | 79% | 0.792 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29 | -179.4 | -24.3 | 33.6 | 0 | 0 | 0 | 113.2 | F151 | F151-P153 VanDerWaalsContact O-CD 3.32Å; F151-P153 WeakPolarHBondContact O-CD 3.41Å |
| 154 | Q | 78.6 | Confident | 74.4 | Confident | 124 Ų | 124 | 100.7 Ų | 100.7 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -15.8 | -179.1 | -62.4 | -173 | -1.9 | 0 | 0 | 113.5 | D152 A157 R158 | D152-Q154 PolarHBondContact O-N 3.35Å; D152-Q154 VanDerWaalsContact O-N 3.1Å; Q154-A157 PolarHBondContact O-N 3.3Å; Q154-R158 WeakPolarHBondContact O-CG 3.35Å; Q154-R158 PolarHBondContact O-N 2.85Å; Q154-R158 VanDerWaalsContact O-N 3.15Å |
| 155 | R | 75 | Confident | 73.3 | Confident | 51 Ų | 51 | 103.3 Ų | 103.3 | 19% | 0.192 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -65.8 | -50.9 | -174.9 | 177.2 | 178.3 | 170.2 | -171.7 | -12.2 | 112.2 | Y145 S149 S150 D152 A157 R158 E159 | Y145-R155 VanDerWaalsContact CE2-NH2 3.32Å; S149-R155 WeakPolarHBondContact O-CD 3.44Å; S149-R155 WeakPolarHBondContact OG-CD 3.43Å; S149-R155 PolarHBondContact OG-NH1 2.98Å; S150-R155 VanDerWaalsContact CA-NH1 3.28Å; S150-R155 PolarHBondContact OG-NH1 2.91Å; D152-R155 HydrophobicContact CB-CB 4.02Å; D152-R155 WeakPolarHBondContact O-CB 3.24Å; D152-R155 PolarHBondContact O-N 2.84Å; R155-A157 PolarHBondContact O-N 3.2Å; R155-R158 PolarHBondContact O-N 2.93Å; R155-E159 HydrophobicContact CG-CG 4.31Å; R155-E159 IonicContact CZ-OE1 3.29Å; R155-E159 VanDerWaalsContact CZ-OE1 3.29Å; R155-E159 IonicContact NE-OE1 2.73Å; R155-E159 PolarHBondContact NE-OE1 3.48Å; R155-E159 IonicContact NE-OE2 3.98Å; R155-E159 IonicContact NH2-OE1 2.93Å; R155-E159 PolarHBondContact NH2-OE1 3.13Å; R155-E159 PolarHBondContact O-N 3.47Å |
| 156 | R | 71.2 | Confident | 72.2 | Confident | 213 Ų | 213 | 107.8 Ų | 107.8 | 80% | 0.804 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -54.5 | -38.2 | 177.1 | -94.7 | -172.1 | -106.9 | 178.5 | -6.1 | 112.3 | A160 | R156-A160 VanDerWaalsContact O-CB 3.26Å; R156-A160 WeakPolarHBondContact O-CB 3.29Å; R156-A160 PolarHBondContact O-N 3.42Å |
| 157 | A | 74.1 | Confident | 71.5 | Confident | 54 Ų | 54 | 108.4 Ų | 108.4 | 45% | 0.446 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.1 | -32.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q154 R155 K161 | Q154-A157 PolarHBondContact O-N 3.3Å; R155-A157 PolarHBondContact O-N 3.2Å; A157-K161 VanDerWaalsContact O-CG 3.29Å; A157-K161 WeakPolarHBondContact O-CG 2.98Å; A157-K161 PolarHBondContact O-N 3.18Å |
| 158 | R | 74 | Confident | 70.7 | Confident | 154 Ų | 154 | 109 Ų | 109 | 58% | 0.581 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -75.6 | -43.7 | 176.1 | -69.2 | 176.6 | -169.2 | -173 | 5.8 | 111.7 | Q154 R155 K161 Q162 | Q154-R158 WeakPolarHBondContact O-CG 3.35Å; Q154-R158 PolarHBondContact O-N 2.85Å; Q154-R158 VanDerWaalsContact O-N 3.15Å; R155-R158 PolarHBondContact O-N 2.93Å; R158-K161 PolarHBondContact O-N 3.49Å; R158-Q162 WeakPolarHBondContact O-CG 3.22Å; R158-Q162 PolarHBondContact O-N 3.5Å |
| 159 | E | 73.5 | Confident | 70.2 | Confident | 59 Ų | 59 | 114.4 Ų | 114.4 | 28% | 0.276 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.8 | -44.9 | 175.8 | -70.3 | 174.8 | 166 | 0 | 0 | 111 | R155 K161 Q162 I163 | R155-E159 HydrophobicContact CG-CG 4.31Å; R155-E159 IonicContact CZ-OE1 3.29Å; R155-E159 VanDerWaalsContact CZ-OE1 3.29Å; R155-E159 IonicContact NE-OE1 2.73Å; R155-E159 PolarHBondContact NE-OE1 3.48Å; R155-E159 IonicContact NE-OE2 3.98Å; R155-E159 IonicContact NH2-OE1 2.93Å; R155-E159 PolarHBondContact NH2-OE1 3.13Å; R155-E159 PolarHBondContact O-N 3.47Å; E159-K161 VanDerWaalsContact C-N 3.27Å; E159-K161 PolarHBondContact O-N 3.4Å; E159-Q162 PolarHBondContact O-N 3.33Å; E159-I163 WeakPolarHBondContact O-CD1 3.42Å; E159-I163 VanDerWaalsContact O-CG1 3.26Å; E159-I163 WeakPolarHBondContact O-CG1 2.95Å; E159-I163 PolarHBondContact O-N 3.44Å |
| 160 | A | 70.2 | Confident | 69.6 | Low | 66 Ų | 66 | 119.6 Ų | 119.6 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.8 | -32.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R156 | R156-A160 VanDerWaalsContact O-CB 3.26Å; R156-A160 WeakPolarHBondContact O-CB 3.29Å; R156-A160 PolarHBondContact O-N 3.42Å |
| 161 | K | 69.6 | Low | 68.9 | Low | 169 Ų | 169 | 131 Ų | 131 | 74% | 0.735 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.7 | -34.8 | 175.3 | -76.9 | 177.6 | -179.3 | -173.8 | 0 | 112.9 | A157 R158 E159 A164 | A157-K161 VanDerWaalsContact O-CG 3.29Å; A157-K161 WeakPolarHBondContact O-CG 2.98Å; A157-K161 PolarHBondContact O-N 3.18Å; R158-K161 PolarHBondContact O-N 3.49Å; E159-K161 VanDerWaalsContact C-N 3.27Å; E159-K161 PolarHBondContact O-N 3.4Å; K161-A164 PolarHBondContact O-N 3.48Å |
| 162 | Q | 65.8 | Low | 68.4 | Low | 122 Ų | 122 | 127.6 Ų | 127.6 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.1 | -28.2 | 177.7 | -75.6 | 179.6 | -16.1 | 0 | 0 | 112.9 | S144 R158 E159 A164 | S144-Q162 PolarHBondContact OG-OE1 3.17Å; S144-Q162 VanDerWaalsContact OG-OE1 3.14Å; R158-Q162 WeakPolarHBondContact O-CG 3.22Å; R158-Q162 PolarHBondContact O-N 3.5Å; E159-Q162 PolarHBondContact O-N 3.33Å; Q162-A164 VanDerWaalsContact C-N 3.3Å |
| 163 | I | 64.9 | Low | 67.9 | Low | 136 Ų | 136 | 129.5 Ų | 129.5 | 70% | 0.697 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76.4 | -19 | 177 | -66.1 | 161.8 | 0 | 0 | 0 | 111.7 | E159 P165 | E159-I163 WeakPolarHBondContact O-CD1 3.42Å; E159-I163 VanDerWaalsContact O-CG1 3.26Å; E159-I163 WeakPolarHBondContact O-CG1 2.95Å; E159-I163 PolarHBondContact O-N 3.44Å; I163-P165 VanDerWaalsContact O-CD 3.22Å; I163-P165 WeakPolarHBondContact O-CD 3.41Å |
| 164 | A | 53.9 | Low | 67.4 | Low | 62 Ų | 62 | 129.9 Ų | 129.9 | 51% | 0.512 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -72.4 | 113 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | K161 Q162 E166 | K161-A164 PolarHBondContact O-N 3.48Å; Q162-A164 VanDerWaalsContact C-N 3.3Å; A164-E166 PolarHBondContact O-N 2.7Å |
| 165 | P | 58.2 | Low | 66.7 | Low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 134.6 | 177.6 | 26.5 | -32.9 | 0 | 0 | 0 | 109.5 | I163 | I163-P165 VanDerWaalsContact O-CD 3.22Å; I163-P165 WeakPolarHBondContact O-CD 3.41Å |
| 166 | E | 59.9 | Low | 66.2 | Low | 166 Ų | 166 | 135.3 Ų | 135.3 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 129.5 | 169 | -74.5 | -171 | 160.9 | 0 | 0 | 108.5 | A164 | A164-E166 PolarHBondContact O-N 2.7Š|
| 167 | P | 65.8 | Low | 65.9 | Low | 109 Ų | 109 | 130.1 Ų | 130.1 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 139.5 | 174.6 | 25.7 | -32.6 | 0 | 0 | 0 | 108.5 | K169 | P167-K169 PolarHBondContact O-N 3.31Š|
| 168 | P | 63 | Low | 65.3 | Low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 128.2 | -177.9 | 22.5 | -32.5 | 0 | 0 | 0 | 109.5 | ||
| 169 | K | 65.2 | Low | 64.6 | Low | 176 Ų | 176 | 134.1 Ų | 134.1 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 128.8 | 178.7 | -70.5 | 178.8 | -180 | 173.4 | 0 | 108.5 | P167 Y171 | P167-K169 PolarHBondContact O-N 3.31Å; K169-Y171 PolarHBondContact O-N 3.26Å |
| 170 | P | 68.4 | Low | 63.9 | Low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 134.5 | 173.9 | 25.9 | -31.3 | 0 | 0 | 0 | 108.8 | ||
| 171 | Y | 61.7 | Low | 63.3 | Low | 312 Ų | 312 | 147.1 Ų | 147.1 | 100% | 1.224 | 76% | 0.76 | S | S | * | * | trans | -54.4 | 0 | 174.9 | -75.4 | -85 | 0 | 0 | 0 | 112.2 | K169 | K169-Y171 PolarHBondContact O-N 3.26Š|
Retrieved 171 of 171 residues in 81.6 ms
(Link to these results)