| 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 | 53.8 | Low | 74.4 | Confident | 242 Ų | 242 | 116.9 Ų | 116.9 | 100% | 1.192 | 64% | 0.638 | S | S | * | * | 0 | 71.3 | 0 | -59.5 | 162.9 | -160.5 | 0 | 0 | 109.2 | |||||
| 2 | A | 57.7 | Low | 75.1 | Confident | 66 Ų | 66 | 118 Ų | 118 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | trans | -136.4 | -3.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | M6 | A2-M6 WeakPolarHBondContact O-CG 3.38Š| ||
| 3 | P | 67.2 | Low | 75.4 | Confident | 106 Ų | 106 | 118.5 Ų | 118.5 | 69% | 0.688 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -78.2 | -34.6 | -173.7 | 31.5 | -34.1 | 0 | 0 | 0 | 112.7 | L7 | P3-L7 VanDerWaalsContact O-CB 3.32Å; P3-L7 WeakPolarHBondContact O-CB 3.11Å; P3-L7 PolarHBondContact O-N 3.43Å |
| 4 | L | 72.6 | Confident | 75.5 | Confident | 139 Ų | 139 | 117.5 Ų | 117.5 | 73% | 0.728 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.7 | -39.4 | -171.8 | -159.3 | 75.6 | 0 | 0 | 0 | 112.8 | L7 A8 | L4-L7 PolarHBondContact O-N 2.97Å; L4-A8 WeakPolarHBondContact O-CB 3.33Å; L4-A8 PolarHBondContact O-N 3.14Å |
| 5 | K | 76 | Confident | 75.5 | Confident | 172 Ų | 172 | 112.3 Ų | 112.3 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.6 | -40.1 | 178.6 | -67.4 | -173.5 | 175.9 | -175.9 | 0 | 111.7 | A8 L9 | K5-A8 PolarHBondContact O-N 3.09Å; K5-L9 WeakPolarHBondContact O-CG 3.39Å; K5-L9 PolarHBondContact O-N 3.02Å; K5-L9 VanDerWaalsContact O-N 3.11Å |
| 6 | M | 78.1 | Confident | 75.2 | Confident | 122 Ų | 122 | 108.4 Ų | 108.4 | 60% | 0.601 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.8 | -42.5 | 175.3 | -69.5 | -64.3 | -73.7 | 0 | 0 | 111.2 | A2 A8 L9 V10 | A2-M6 WeakPolarHBondContact O-CG 3.38Å; M6-A8 PolarHBondContact O-N 2.76Å; M6-L9 PolarHBondContact O-N 3.25Å; M6-V10 WeakPolarHBondContact O-CG2 3.33Å; M6-V10 PolarHBondContact O-N 3.33Å |
| 7 | L | 81.5 | Confident | 74.7 | Confident | 103 Ų | 103 | 106 Ų | 106 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.3 | -42.6 | 176.6 | -167.3 | 71.7 | 0 | 0 | 0 | 111.8 | P3 L4 L9 V10 I11 | P3-L7 VanDerWaalsContact O-CB 3.32Å; P3-L7 WeakPolarHBondContact O-CB 3.11Å; P3-L7 PolarHBondContact O-N 3.43Å; L4-L7 PolarHBondContact O-N 2.97Å; L7-L9 PolarHBondContact O-N 3.32Å; L7-V10 PolarHBondContact O-N 3.47Å; L7-I11 HydrophobicContact CG-CD1 4.06Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 3.1Å |
| 8 | A | 81.9 | Confident | 74 | Confident | 56 Ų | 56 | 106.8 Ų | 106.8 | 46% | 0.463 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.8 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L4 K5 M6 I11 L12 | L4-A8 WeakPolarHBondContact O-CB 3.33Å; L4-A8 PolarHBondContact O-N 3.14Å; K5-A8 PolarHBondContact O-N 3.09Å; M6-A8 PolarHBondContact O-N 2.76Å; A8-I11 PolarHBondContact O-N 3.4Å; A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 3.01Å |
| 9 | L | 82.8 | Confident | 73.3 | Confident | 97 Ų | 97 | 109.7 Ų | 109.7 | 51% | 0.508 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.2 | -42.3 | 176.8 | -74.4 | 166 | 0 | 0 | 0 | 112 | K5 M6 L7 L12 L13 | K5-L9 WeakPolarHBondContact O-CG 3.39Å; K5-L9 PolarHBondContact O-N 3.02Å; K5-L9 VanDerWaalsContact O-N 3.11Å; M6-L9 PolarHBondContact O-N 3.25Å; L7-L9 PolarHBondContact O-N 3.32Å; L9-L12 PolarHBondContact O-N 3.12Å; L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 WeakPolarHBondContact O-CD1 3.32Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.32Å; L9-L13 PolarHBondContact O-N 3.34Å |
| 10 | V | 84.1 | Confident | 72.4 | Confident | 75 Ų | 75 | 111.6 Ų | 111.6 | 46% | 0.455 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.8 | -45 | 177.5 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | M6 L7 L12 L13 L14 | M6-V10 WeakPolarHBondContact O-CG2 3.33Å; M6-V10 PolarHBondContact O-N 3.33Å; L7-V10 PolarHBondContact O-N 3.47Å; V10-L12 VanDerWaalsContact C-N 3.35Å; V10-L12 PolarHBondContact O-N 3.07Å; V10-L13 PolarHBondContact O-N 2.96Å; V10-L14 HydrophobicContact CG1-CD1 3.59Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 WeakPolarHBondContact O-CD1 3.33Å; V10-L14 PolarHBondContact O-N 2.96Å |
| 11 | I | 83.2 | Confident | 71.8 | Confident | 108 Ų | 108 | 112.4 Ų | 112.4 | 55% | 0.554 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.2 | -42.1 | 177.3 | -67.8 | 165.7 | 0 | 0 | 0 | 111.3 | L7 A8 L14 G15 | L7-I11 HydrophobicContact CG-CD1 4.06Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 3.1Å; A8-I11 PolarHBondContact O-N 3.4Å; I11-L14 PolarHBondContact O-N 2.67Å; I11-G15 PolarHBondContact O-N 3.1Å |
| 12 | L | 82.4 | Confident | 72.1 | Confident | 130 Ų | 130 | 108.7 Ų | 108.7 | 68% | 0.681 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.4 | -43.1 | 179 | -167.4 | 76.6 | 0 | 0 | 0 | 111.7 | A8 L9 V10 G15 A16 | A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 3.01Å; L9-L12 PolarHBondContact O-N 3.12Å; V10-L12 VanDerWaalsContact C-N 3.35Å; V10-L12 PolarHBondContact O-N 3.07Å; L12-G15 PolarHBondContact O-N 3.45Å; L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 2.87Å |
| 13 | L | 78.7 | Confident | 72.2 | Confident | 125 Ų | 125 | 109 Ų | 109 | 65% | 0.654 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.5 | -43.6 | 177.9 | -74.7 | 163.3 | 0 | 0 | 0 | 111.9 | L9 V10 A16 S17 | L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 WeakPolarHBondContact O-CD1 3.32Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.32Å; L9-L13 PolarHBondContact O-N 3.34Å; V10-L13 PolarHBondContact O-N 2.96Å; L13-A16 PolarHBondContact O-N 3.47Å; L13-S17 PolarHBondContact O-N 3.16Å; L13-S17 VanDerWaalsContact O-N 3.08Å |
| 14 | L | 76.4 | Confident | 71.9 | Confident | 104 Ų | 104 | 108.9 Ų | 108.9 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.7 | -43.3 | 175.1 | -85.6 | 147.3 | 0 | 0 | 0 | 111.7 | V10 I11 A16 S17 L18 | V10-L14 HydrophobicContact CG1-CD1 3.59Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 WeakPolarHBondContact O-CD1 3.33Å; V10-L14 PolarHBondContact O-N 2.96Å; I11-L14 PolarHBondContact O-N 2.67Å; L14-A16 PolarHBondContact O-N 3.43Å; L14-S17 PolarHBondContact O-N 2.9Å; L14-S17 PolarHBondContact O-OG 3.02Å; L14-L18 PolarHBondContact O-N 2.83Å |
| 15 | G | 76.6 | Confident | 71.1 | Confident | 40 Ų | 40 | 112.3 Ų | 112.3 | 41% | 0.412 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.5 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I11 L12 L18 | I11-G15 PolarHBondContact O-N 3.1Å; L12-G15 PolarHBondContact O-N 3.45Å; G15-L18 PolarHBondContact O-N 2.87Å |
| 16 | A | 70.7 | Confident | 70.2 | Confident | 49 Ų | 49 | 106.7 Ų | 106.7 | 41% | 0.405 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.5 | -35.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L12 L13 L14 L18 Q19 | L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 2.87Å; L13-A16 PolarHBondContact O-N 3.47Å; L14-A16 PolarHBondContact O-N 3.43Å; A16-L18 VanDerWaalsContact C-N 3.3Å; A16-L18 PolarHBondContact O-N 3.42Å; A16-Q19 PolarHBondContact O-N 3.15Å |
| 17 | S | 66.8 | Low | 69.2 | Low | 68 Ų | 68 | 104.9 Ų | 104.9 | 48% | 0.476 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.1 | -27.7 | 178.3 | 72.9 | 0 | 0 | 0 | 0 | 113.6 | L13 L14 Q19 | L13-S17 PolarHBondContact O-N 3.16Å; L13-S17 VanDerWaalsContact O-N 3.08Å; L14-S17 PolarHBondContact O-N 2.9Å; L14-S17 PolarHBondContact O-OG 3.02Å; S17-Q19 VanDerWaalsContact C-N 3.28Å; S17-Q19 PolarHBondContact O-N 3.31Å |
| 18 | L | 62.4 | Low | 68.2 | Low | 121 Ų | 121 | 105.1 Ų | 105.1 | 63% | 0.634 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71 | -21.8 | 178.4 | -117.5 | 71.8 | 0 | 0 | 0 | 113.2 | L14 G15 A16 H20 | L14-L18 PolarHBondContact O-N 2.83Å; G15-L18 PolarHBondContact O-N 2.87Å; A16-L18 VanDerWaalsContact C-N 3.3Å; A16-L18 PolarHBondContact O-N 3.42Å; L18-H20 PolarHBondContact O-N 3.22Å |
| 19 | Q | 60.6 | Low | 67.4 | Low | 161 Ų | 161 | 109 Ų | 109 | 75% | 0.752 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -13 | -178.6 | -60.2 | -174.5 | -59.7 | 0 | 0 | 113.4 | A16 S17 | A16-Q19 PolarHBondContact O-N 3.15Å; S17-Q19 VanDerWaalsContact C-N 3.28Å; S17-Q19 PolarHBondContact O-N 3.31Å |
| 20 | H | 55.6 | Low | 66.7 | Low | 148 Ų | 148 | 108.4 Ų | 108.4 | 69% | 0.685 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 5.4 | -179.5 | -83.1 | -72.8 | 0 | 0 | 0 | 114.6 | L18 H22 | L18-H20 PolarHBondContact O-N 3.22Å; H20-H22 PolarHBondContact O-N 3.21Å |
| 21 | I | 59.6 | Low | 66.4 | Low | 129 Ų | 129 | 109.8 Ų | 109.8 | 66% | 0.662 | 63% | 0.629 | S | S | * | * | trans | -76 | 78 | 170.9 | -51.6 | 179 | 0 | 0 | 0 | 108.1 | A23 | I21-A23 PolarHBondContact O-N 3.18Š| ||
| 22 | H | 59 | Low | 66.6 | Low | 163 Ų | 163 | 109.3 Ų | 109.3 | 76% | 0.755 | 62% | 0.624 | S | S | * | * | trans | -64.3 | 94.3 | 157.2 | -68.6 | 104.9 | 0 | 0 | 0 | 106.4 | H20 A24 | H20-H22 PolarHBondContact O-N 3.21Å; H22-A24 PolarHBondContact O-N 3.38Å | ||
| 23 | A | 60.2 | Low | 67.2 | Low | 73 Ų | 73 | 105.6 Ų | 105.6 | 60% | 0.603 | 61% | 0.609 | S | S | * | * | trans | -55 | 116.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | I21 R25 | I21-A23 PolarHBondContact O-N 3.18Å; A23-R25 PolarHBondContact O-N 3.23Å | ||
| 24 | A | 60.2 | Low | 68 | Low | 103 Ų | 103 | 99.8 Ų | 99.8 | 85% | 0.851 | 58% | 0.578 | S | S | * | * | trans | -62.4 | 82.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | H22 G26 | H22-A24 PolarHBondContact O-N 3.38Å; A24-G26 PolarHBondContact O-N 3.17Å | ||
| 25 | R | 56.9 | Low | 68.9 | Low | 212 Ų | 212 | 101.8 Ų | 101.8 | 80% | 0.8 | 59% | 0.589 | S | S | * | * | trans | -54.8 | 119.9 | 168.6 | -74 | -178.2 | 172.7 | 163.1 | -1.4 | 104.2 | A23 T27 | A23-R25 PolarHBondContact O-N 3.23Å; R25-T27 HydrophobicContact CB-CG2 4.43Å; R25-T27 PolarHBondContact O-N 3.41Å | ||
| 26 | G | 56.5 | Low | 69.8 | Low | 54 Ų | 54 | 107.9 Ų | 107.9 | 56% | 0.557 | 60% | 0.604 | S | S | * | * | trans | -63.4 | 81.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | A24 N28 V29 | A24-G26 PolarHBondContact O-N 3.17Å; G26-N28 PolarHBondContact O-N 3.36Å; G26-V29 PolarHBondContact O-N 3.5Å | ||
| 27 | T | 57.7 | Low | 71.1 | Confident | 84 Ų | 84 | 108.5 Ų | 108.5 | 52% | 0.515 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | -3.9 | 178.7 | 55 | 0 | 0 | 0 | 0 | 112.3 | R25 R31 | R25-T27 HydrophobicContact CB-CG2 4.43Å; R25-T27 PolarHBondContact O-N 3.41Å; T27-R31 PolarHBondContact O-NE 2.97Å; T27-R31 PolarHBondContact OG1-NH1 3.08Å |
| 28 | N | 60.6 | Low | 72.6 | Confident | 107 Ų | 107 | 110.3 Ų | 110.3 | 57% | 0.572 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -3.6 | -176.4 | -59.4 | -35.2 | 0 | 0 | 0 | 113.4 | G26 G30 R31 | G26-N28 PolarHBondContact O-N 3.36Å; N28-G30 PolarHBondContact O-N 2.79Å; N28-R31 PolarHBondContact O-N 2.66Å |
| 29 | V | 64.9 | Low | 74.1 | Confident | 139 Ų | 139 | 114.8 Ų | 114.8 | 84% | 0.842 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 110.2 | 176.7 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | G26 | G26-V29 PolarHBondContact O-N 3.5Š|
| 30 | G | 67.8 | Low | 75.6 | Confident | 83 Ų | 83 | 109 Ų | 109 | 86% | 0.856 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.7 | 4.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N28 | N28-G30 PolarHBondContact O-N 2.79Š|
| 31 | R | 77.5 | Confident | 77.5 | Confident | 105 Ų | 105 | 106.1 Ų | 106.1 | 40% | 0.396 | 60% | 0.596 | S | S | . | * | trans | -80.7 | 126.7 | 171.9 | -80.8 | -174.1 | -174.7 | 153.1 | 0.5 | 110.9 | T27 N28 P54 D56 | T27-R31 PolarHBondContact O-NE 2.97Å; T27-R31 PolarHBondContact OG1-NH1 3.08Å; N28-R31 PolarHBondContact O-N 2.66Å; R31-P54 HydrophobicContact CG-CG 4.38Å; R31-D56 WeakPolarHBondContact CD-OD2 3.3Å; R31-D56 IonicContact CZ-OD1 3.53Å; R31-D56 IonicContact CZ-OD2 3.25Å; R31-D56 VanDerWaalsContact CZ-OD2 3.25Å; R31-D56 IonicContact NE-OD1 3.62Å; R31-D56 IonicContact NE-OD2 3.45Å; R31-D56 PolarHBondContact NE-OD2 2.81Å; R31-D56 IonicContact NH1-OD1 3.55Å; R31-D56 IonicContact NH1-OD2 2.61Å; R31-D56 PolarHBondContact NH1-OD2 3.01Å | ||
| 32 | E | 88.3 | Confident | 79.2 | Confident | 97 Ų | 97 | 101.5 Ų | 101.5 | 45% | 0.453 | 57% | 0.572 | S | S | . | * | trans | -97.1 | 113.8 | 173.4 | -170.4 | -178.2 | -174.1 | 0 | 0 | 109.8 | Y51 | E32-Y51 VanDerWaalsContact CD-OH 3.31Å; E32-Y51 PolarHBondContact OE2-OH 3.33Å | ||
| 33 | C | 94.4 | Very high | 80.9 | Confident | 53 Ų | 53 | 96 Ų | 96 | 36% | 0.358 | 55% | 0.55 | S | S | . | * | trans | -113.3 | 148 | 173.5 | -66.9 | 0 | 0 | 0 | 0 | 111.1 | C57 | C33-C57 VanDerWaalsContact CA-SG 3.52Å; C33-C57 HydrophobicContact CB-CB 3.85Å; C33-C57 WeakPolarHBondContact CB-SG 3.45Å; C33-C57 WeakPolarHBondContact SG-CB 3.34Å; C33-C57 CovalentContact SG-SG 2.05Å; C33-C57 PolarHBondContact SG-SG 2.04Å | ||
| 34 | C | 96.4 | Very high | 82.6 | Confident | 2 Ų | 2 | 95.2 Ų | 95.2 | 1% | 0.014 | 54% | 0.536 | C | S | . | . | trans | -88.1 | 112.7 | 175.7 | -73.4 | 0 | 0 | 0 | 0 | 111.6 | A61 C73 | C34-A61 HydrophobicContact CB-CB 3.67Å; C34-C73 VanDerWaalsContact CA-SG 3.6Å; C34-C73 HydrophobicContact CB-CB 3.63Å; C34-C73 WeakPolarHBondContact CB-SG 3.4Å; C34-C73 VanDerWaalsContact SG-CA 3.58Å; C34-C73 WeakPolarHBondContact SG-CB 3.35Å; C34-C73 CovalentContact SG-SG 2.04Å; C34-C73 PolarHBondContact SG-SG 2.7Å | ||
| 35 | L | 94.6 | Very high | 84.2 | Confident | 146 Ų | 146 | 101.5 Ų | 101.5 | 76% | 0.764 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -74.7 | -31.9 | 175.4 | -60.1 | 180 | 0 | 0 | 0 | 112.8 | R59 | L35-R59 PolarHBondContact O-NE 2.61Š|
| 36 | K | 96.1 | Very high | 86.1 | Confident | 168 Ų | 168 | 97.1 Ų | 97.1 | 73% | 0.73 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -146.2 | 148 | -179.5 | 62.8 | -175.9 | 176.4 | -175.5 | 0 | 111 | C73 | K36-C73 VanDerWaalsContact O-CB 3.3Å; K36-C73 WeakPolarHBondContact O-CB 3.32Å |
| 37 | Y | 97.8 | Very high | 88 | Confident | 63 Ų | 63 | 95.1 Ų | 95.1 | 25% | 0.247 | 50% | 0.501 | C | S | . | . | trans | -78.8 | 145.8 | 170.4 | -55.4 | -47.6 | 0 | 0 | 0 | 111.3 | D60 A61 D75 | Y37-D60 WeakPolarHBondContact CE1-O 3.44Å; Y37-D60 PolarHBondContact OH-O 3.47Å; Y37-A61 HydrophobicContact CE1-CB 3.98Å; Y37-D75 HydrophobicContact CD1-CB 4.36Å; Y37-D75 HydrophobicContact CD2-CB 3.73Å; Y37-D75 HydrophobicContact CE1-CB 4.35Å; Y37-D75 HydrophobicContact CE2-CB 3.72Å; Y37-D75 HydrophobicContact CG-CB 4.07Å | ||
| 38 | F | 96.6 | Very high | 89.8 | Confident | 106 Ų | 106 | 97.3 Ų | 97.3 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | trans | -67.5 | 127.9 | 170.8 | 179.1 | -111.3 | 0 | 0 | 0 | 109.9 | G40 I72 C73 | F38-G40 WeakPolarHBondContact CD1-O 3.48Å; F38-G40 WeakPolarHBondContact CE1-O 3.47Å; F38-G40 VanDerWaalsContact CZ-CA 3.49Å; F38-I72 HydrophobicContact CB-CG2 3.61Å; F38-I72 HydrophobicContact CD1-CG2 3.58Å; F38-I72 HydrophobicContact CE1-CG2 4.35Å; F38-I72 HydrophobicContact CG-CG2 3.68Å; F38-C73 WeakPolarHBondContact CB-O 3.12Å; F38-C73 PolarHBondContact N-O 3.04Å | ||
| 39 | K | 94.8 | Very high | 91.6 | Very high | 214 Ų | 214 | 95 Ų | 95 | 93% | 0.93 | 49% | 0.493 | S | S | * | . | trans | -92.8 | -5.3 | -178.1 | -63.9 | -174.9 | 177.8 | -177 | 0 | 113.9 | ||||
| 40 | G | 93.1 | Very high | 93.1 | Very high | 39 Ų | 39 | 92 Ų | 92 | 40% | 0.402 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -85.9 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F38 | F38-G40 WeakPolarHBondContact CD1-O 3.48Å; F38-G40 WeakPolarHBondContact CE1-O 3.47Å; F38-G40 VanDerWaalsContact CZ-CA 3.49Å |
| 41 | A | 93.8 | Very high | 94.5 | Very high | 89 Ų | 89 | 91.6 Ų | 91.6 | 74% | 0.736 | 44% | 0.44 | S | S | * | . | trans | -73 | 132.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P43 | A41-P43 WeakPolarHBondContact O-CD 3.31Š| ||
| 42 | I | 95.5 | Very high | 95.4 | Very high | 31 Ų | 31 | 91.8 Ų | 91.8 | 16% | 0.159 | 45% | 0.445 | C | S | . | . | trans | -72.2 | 117.5 | 177.6 | -58.1 | 170.9 | 0 | 0 | 0 | 109 | L44 L47 F64 K80 V81 A84 | I42-L44 PolarHBondContact O-N 3.13Å; I42-L47 HydrophobicContact CG2-CD1 3.86Å; I42-L47 HydrophobicContact CG2-CD2 4.22Å; I42-L47 HydrophobicContact CG2-CG 4.45Å; I42-F64 HydrophobicContact CD1-CD2 4.48Å; I42-F64 HydrophobicContact CD1-CE2 3.97Å; I42-F64 HydrophobicContact CG2-CD2 4.23Å; I42-F64 HydrophobicContact CG2-CE2 4.41Å; I42-K80 HydrophobicContact CD1-CB 4.44Å; I42-V81 HydrophobicContact CD1-CB 4.5Å; I42-V81 HydrophobicContact CD1-CG2 3.65Å; I42-A84 HydrophobicContact CG2-CB 4.13Å | ||
| 43 | P | 95.3 | Very high | 95.7 | Very high | 47 Ų | 47 | 87.4 Ų | 87.4 | 31% | 0.305 | 43% | 0.425 | S | S | . | . | trans | -81.6 | 81 | -175.3 | 33.6 | -35 | 0 | 0 | 0 | 111 | A41 R45 K46 L47 I72 | A41-P43 WeakPolarHBondContact O-CD 3.31Å; P43-R45 VanDerWaalsContact C-N 3.33Å; P43-R45 PolarHBondContact O-N 3.43Å; P43-R45 VanDerWaalsContact O-N 3.15Å; P43-K46 HydrophobicContact CB-CB 4.18Å; P43-K46 HydrophobicContact CB-CD 4.24Å; P43-K46 HydrophobicContact CB-CG 4.33Å; P43-K46 HydrophobicContact CG-CB 4.31Å; P43-K46 PolarHBondContact O-N 2.87Å; P43-L47 PolarHBondContact O-N 3.03Å; P43-I72 HydrophobicContact CG-CD1 4.17Å | ||
| 44 | L | 95.2 | Very high | 95.7 | Very high | 58 Ų | 58 | 87 Ų | 87 | 30% | 0.304 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -45.3 | -49.5 | -173 | -68.2 | 178.3 | 0 | 0 | 0 | 114.4 | I42 K46 L47 A84 Y87 | I42-L44 PolarHBondContact O-N 3.13Å; L44-K46 PolarHBondContact O-N 2.81Å; L44-K46 VanDerWaalsContact O-N 3.16Å; L44-L47 HydrophobicContact CD2-CD1 4.2Å; L44-L47 WeakPolarHBondContact O-CB 3.43Å; L44-L47 WeakPolarHBondContact O-CG 3.29Å; L44-L47 PolarHBondContact O-N 2.86Å; L44-L47 VanDerWaalsContact O-N 3.14Å; L44-A84 HydrophobicContact CD2-CB 3.44Å; L44-A84 VanDerWaalsContact CD2-CB 3.44Å; L44-Y87 HydrophobicContact CB-CD1 4.33Å; L44-Y87 HydrophobicContact CB-CE1 4.36Å; L44-Y87 HydrophobicContact CD2-CD1 4.39Å; L44-Y87 VanDerWaalsContact O-CE1 3.31Å; L44-Y87 WeakPolarHBondContact O-CE1 3.32Å |
| 45 | R | 94.3 | Very high | 95.4 | Very high | 234 Ų | 234 | 95.5 Ų | 95.5 | 88% | 0.883 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -66.1 | -16.1 | -178.5 | -65.4 | -175.8 | 179.7 | 172 | -0.7 | 114.4 | P43 | P43-R45 VanDerWaalsContact C-N 3.33Å; P43-R45 PolarHBondContact O-N 3.43Å; P43-R45 VanDerWaalsContact O-N 3.15Å |
| 46 | K | 96.1 | Very high | 95.2 | Very high | 120 Ų | 120 | 92.3 Ų | 92.3 | 52% | 0.522 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -99.9 | -2.6 | 179.5 | -60.8 | -173.8 | 179 | -178.2 | 0 | 112.2 | P43 L44 T66 V67 | P43-K46 HydrophobicContact CB-CB 4.18Å; P43-K46 HydrophobicContact CB-CD 4.24Å; P43-K46 HydrophobicContact CB-CG 4.33Å; P43-K46 HydrophobicContact CG-CB 4.31Å; P43-K46 PolarHBondContact O-N 2.87Å; L44-K46 PolarHBondContact O-N 2.81Å; L44-K46 VanDerWaalsContact O-N 3.16Å; K46-T66 CarbonylContact O-C 3.44Å; K46-T66 WeakPolarHBondContact O-CA 3.12Å; K46-T66 VanDerWaalsContact O-CB 3.29Å; K46-T66 WeakPolarHBondContact O-CB 3.43Å; K46-V67 PolarHBondContact O-N 3.14Å |
| 47 | L | 97.1 | Very high | 95 | Very high | 12 Ų | 12 | 84.8 Ų | 84.8 | 6% | 0.063 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 138 | 179.1 | -57.9 | -172.4 | 0 | 0 | 0 | 110.2 | I42 P43 L44 F64 T66 A84 L88 | I42-L47 HydrophobicContact CG2-CD1 3.86Å; I42-L47 HydrophobicContact CG2-CD2 4.22Å; I42-L47 HydrophobicContact CG2-CG 4.45Å; P43-L47 PolarHBondContact O-N 3.03Å; L44-L47 HydrophobicContact CD2-CD1 4.2Å; L44-L47 WeakPolarHBondContact O-CB 3.43Å; L44-L47 WeakPolarHBondContact O-CG 3.29Å; L44-L47 PolarHBondContact O-N 2.86Å; L44-L47 VanDerWaalsContact O-N 3.14Å; L47-F64 HydrophobicContact CD1-CD1 3.9Å; L47-F64 HydrophobicContact CD1-CE1 4.33Å; L47-F64 HydrophobicContact CD1-CG 4.15Å; L47-F64 HydrophobicContact CD2-CB 3.83Å; L47-F64 HydrophobicContact CD2-CG 4.32Å; L47-T66 HydrophobicContact CD2-CG2 4.28Å; L47-A84 HydrophobicContact CD1-CB 4.03Å; L47-L88 HydrophobicContact CB-CD1 4.1Å; L47-L88 HydrophobicContact CB-CD2 3.79Å; L47-L88 HydrophobicContact CB-CG 4.23Å; L47-L88 HydrophobicContact CD1-CD1 4.05Å; L47-L88 HydrophobicContact CD1-CG 4.38Å |
| 48 | K | 96.4 | Very high | 94.7 | Very high | 131 Ų | 131 | 87.2 Ų | 87.2 | 57% | 0.57 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -47.8 | 178.1 | 179.4 | -177.4 | 176.5 | -177.1 | 0 | 111.2 | V65 V67 | K48-V65 WeakPolarHBondContact CB-O 3.29Å; K48-V65 PolarHBondContact N-O 3.13Å; K48-V67 HydrophobicContact CB-CG1 4.12Å |
| 49 | T | 97 | Very high | 94.6 | Very high | 57 Ų | 57 | 87.9 Ų | 87.9 | 35% | 0.35 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 177.4 | -178.9 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | V65 | T49-V65 HydrophobicContact CG2-CB 3.75Å; T49-V65 HydrophobicContact CG2-CG1 4.47Å; T49-V65 HydrophobicContact CG2-CG2 4.03Å; T49-V65 PolarHBondContact N-O 3.27Å; T49-V65 PolarHBondContact O-N 3.5Å |
| 50 | W | 97.4 | Very high | 94.6 | Very high | 76 Ų | 76 | 82 Ų | 82 | 29% | 0.288 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 157.1 | 174.5 | 68.7 | -85.1 | 0 | 0 | 0 | 110.9 | I62 V63 F64 L85 L88 | W50-I62 HydrophobicContact CB-CG2 4.34Å; W50-I62 HydrophobicContact CE3-CD1 4.22Å; W50-I62 HydrophobicContact CE3-CG2 4.2Å; W50-I62 HydrophobicContact CZ3-CD1 4.12Å; W50-V63 CarbonylContact C-O 3.57Å; W50-V63 WeakPolarHBondContact CA-O 3.48Å; W50-F64 HydrophobicContact CB-CD1 3.72Å; W50-F64 HydrophobicContact CB-CE1 3.99Å; W50-L85 HydrophobicContact CB-CD2 4.32Å; W50-L85 HydrophobicContact CD2-CD2 3.21Å; W50-L85 VanDerWaalsContact CE2-CD2 3.42Å; W50-L85 HydrophobicContact CE3-CD2 3.55Å; W50-L85 HydrophobicContact CG-CD2 3.56Å; W50-L85 HydrophobicContact CH2-CD2 4.21Å; W50-L85 HydrophobicContact CZ2-CD2 3.93Å; W50-L85 HydrophobicContact CZ3-CD2 4.03Å; W50-L88 HydrophobicContact CB-CD1 4.11Å; W50-L88 HydrophobicContact CG-CD1 4.3Å |
| 51 | Y | 96.3 | Very high | 94.9 | Very high | 76 Ų | 76 | 80.1 Ų | 80.1 | 30% | 0.298 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 163 | 167.3 | 59.7 | -82 | 0 | 0 | 0 | 110.1 | E32 V63 V65 | E32-Y51 VanDerWaalsContact CD-OH 3.31Å; E32-Y51 PolarHBondContact OE2-OH 3.33Å; Y51-V63 HydrophobicContact CD1-CB 4.11Å; Y51-V63 HydrophobicContact CD1-CG1 4.49Å; Y51-V63 HydrophobicContact CD2-CB 4.21Å; Y51-V63 HydrophobicContact CD2-CG2 4.39Å; Y51-V63 HydrophobicContact CE1-CB 3.65Å; Y51-V63 HydrophobicContact CE1-CG1 3.64Å; Y51-V63 HydrophobicContact CE2-CB 3.79Å; Y51-V63 HydrophobicContact CE2-CG1 4.33Å; Y51-V63 HydrophobicContact CE2-CG2 3.8Å; Y51-V63 HydrophobicContact CG-CB 4.37Å; Y51-V63 VanDerWaalsContact CZ-CB 3.49Å; Y51-V63 PolarHBondContact N-O 3.49Å; Y51-V63 PolarHBondContact O-N 2.86Å; Y51-V63 WeakPolarHBondContact OH-CG1 3.46Å; Y51-V65 HydrophobicContact CD1-CG2 4.1Å; Y51-V65 HydrophobicContact CE1-CG2 3.64Å |
| 52 | Q | 96.4 | Very high | 95.1 | Very high | 108 Ų | 108 | 76.3 Ų | 76.3 | 51% | 0.505 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 141.1 | 172.1 | -171.6 | 173.4 | -14.2 | 0 | 0 | 109.4 | A61 I62 | Q52-A61 WeakPolarHBondContact CA-O 3.37Å; Q52-I62 HydrophobicContact CB-CD1 4.09Å; Q52-I62 HydrophobicContact CG-CD1 4.18Å |
| 53 | T | 95.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 74.9 Ų | 74.9 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 153.7 | 172.1 | 50.9 | 0 | 0 | 0 | 0 | 111 | A61 V63 | T53-A61 HydrophobicContact CG2-CB 3.86Å; T53-A61 PolarHBondContact N-O 2.92Å; T53-A61 PolarHBondContact OG1-N 2.87Å; T53-A61 VanDerWaalsContact OG1-N 3.08Å; T53-A61 PolarHBondContact OG1-O 3.04Å; T53-V63 HydrophobicContact CG2-CG2 3.87Å |
| 54 | P | 93 | Very high | 95.3 | Very high | 46 Ų | 46 | 72.6 Ų | 72.6 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 146.9 | 173.1 | -26 | 34.7 | 0 | 0 | 0 | 113.2 | R31 D56 C57 | R31-P54 HydrophobicContact CG-CG 4.38Å; P54-D56 WeakPolarHBondContact CB-OD1 3.44Å; P54-D56 PolarHBondContact O-N 2.98Å; P54-C57 VanDerWaalsContact O-CB 3.3Å; P54-C57 WeakPolarHBondContact O-CB 2.96Å; P54-C57 PolarHBondContact O-N 3.22Å; P54-C57 VanDerWaalsContact O-N 3.11Å; P54-C57 PolarHBondContact O-SG 3.1Å |
| 55 | E | 90.8 | Very high | 95.4 | Very high | 179 Ų | 179 | 71 Ų | 71 | 84% | 0.836 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22 | -179 | -63.6 | -178.3 | 175.9 | 0 | 0 | 113.3 | C57 | E55-C57 PolarHBondContact O-N 2.8Š|
| 56 | D | 89.6 | Confident | 95.6 | Very high | 79 Ų | 79 | 60.3 Ų | 60.3 | 42% | 0.422 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -7 | 176.2 | 61.9 | -73 | 0 | 0 | 0 | 113.4 | R31 P54 | R31-D56 WeakPolarHBondContact CD-OD2 3.3Å; R31-D56 IonicContact CZ-OD1 3.53Å; R31-D56 IonicContact CZ-OD2 3.25Å; R31-D56 VanDerWaalsContact CZ-OD2 3.25Å; R31-D56 IonicContact NE-OD1 3.62Å; R31-D56 IonicContact NE-OD2 3.45Å; R31-D56 PolarHBondContact NE-OD2 2.81Å; R31-D56 IonicContact NH1-OD1 3.55Å; R31-D56 IonicContact NH1-OD2 2.61Å; R31-D56 PolarHBondContact NH1-OD2 3.01Å; P54-D56 WeakPolarHBondContact CB-OD1 3.44Å; P54-D56 PolarHBondContact O-N 2.98Å |
| 57 | C | 92.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -67.3 | 141.7 | 170.8 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | C33 P54 E55 R59 | C33-C57 VanDerWaalsContact CA-SG 3.52Å; C33-C57 HydrophobicContact CB-CB 3.85Å; C33-C57 WeakPolarHBondContact CB-SG 3.45Å; C33-C57 WeakPolarHBondContact SG-CB 3.34Å; C33-C57 CovalentContact SG-SG 2.05Å; C33-C57 PolarHBondContact SG-SG 2.04Å; P54-C57 VanDerWaalsContact O-CB 3.3Å; P54-C57 WeakPolarHBondContact O-CB 2.96Å; P54-C57 PolarHBondContact O-N 3.22Å; P54-C57 VanDerWaalsContact O-N 3.11Å; P54-C57 PolarHBondContact O-SG 3.1Å; E55-C57 PolarHBondContact O-N 2.8Å; C57-R59 PolarHBondContact O-N 2.97Å |
| 58 | S | 92.2 | Very high | 95.6 | Very high | 114 Ų | 114 | 64.2 Ų | 64.2 | 80% | 0.797 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -60.9 | -13.6 | 176.6 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 59 | R | 93.5 | Very high | 95.6 | Very high | 120 Ų | 120 | 63.6 Ų | 63.6 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -138.3 | 126.8 | -179.4 | -65.7 | 178.4 | 178.7 | -86.1 | -4.2 | 109.2 | L35 C57 A61 | L35-R59 PolarHBondContact O-NE 2.61Å; C57-R59 PolarHBondContact O-N 2.97Å; R59-A61 PolarHBondContact O-N 3.26Å |
| 60 | D | 96.3 | Very high | 95.6 | Very high | 90 Ų | 90 | 66.9 Ų | 66.9 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | trans | -66 | 131.3 | 166.3 | -62.9 | -30.3 | 0 | 0 | 0 | 109.6 | Y37 P76 | Y37-D60 WeakPolarHBondContact CE1-O 3.44Å; Y37-D60 PolarHBondContact OH-O 3.47Å; D60-P76 HydrophobicContact CB-CG 4.02Å; D60-P76 WeakPolarHBondContact O-CD 3.46Å | ||
| 61 | A | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -144.5 | 145.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | C34 Y37 Q52 T53 R59 S74 | C34-A61 HydrophobicContact CB-CB 3.67Å; Y37-A61 HydrophobicContact CE1-CB 3.98Å; Q52-A61 WeakPolarHBondContact CA-O 3.37Å; T53-A61 HydrophobicContact CG2-CB 3.86Å; T53-A61 PolarHBondContact N-O 2.92Å; T53-A61 PolarHBondContact OG1-N 2.87Å; T53-A61 VanDerWaalsContact OG1-N 3.08Å; T53-A61 PolarHBondContact OG1-O 3.04Å; R59-A61 PolarHBondContact O-N 3.26Å; A61-S74 WeakPolarHBondContact CA-O 3.42Å | ||
| 62 | I | 97.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.9 | 161.3 | -60.3 | -62.3 | 0 | 0 | 0 | 107.2 | W50 Q52 F64 S74 P76 V81 L85 | W50-I62 HydrophobicContact CB-CG2 4.34Å; W50-I62 HydrophobicContact CE3-CD1 4.22Å; W50-I62 HydrophobicContact CE3-CG2 4.2Å; W50-I62 HydrophobicContact CZ3-CD1 4.12Å; Q52-I62 HydrophobicContact CB-CD1 4.09Å; Q52-I62 HydrophobicContact CG-CD1 4.18Å; I62-F64 HydrophobicContact CG2-CD1 4.46Å; I62-F64 HydrophobicContact CG2-CE1 4.01Å; I62-F64 HydrophobicContact CG2-CE2 4.2Å; I62-F64 HydrophobicContact CG2-CZ 3.86Å; I62-S74 PolarHBondContact N-O 3.02Å; I62-S74 WeakPolarHBondContact O-CA 3.3Å; I62-S74 WeakPolarHBondContact O-CB 3.39Å; I62-S74 PolarHBondContact O-N 3.42Å; I62-P76 HydrophobicContact CG1-CB 4.15Å; I62-P76 HydrophobicContact CG1-CG 4.19Å; I62-V81 HydrophobicContact CB-CG1 4.05Å; I62-V81 HydrophobicContact CG1-CG1 4.22Å; I62-V81 HydrophobicContact CG2-CG1 4.35Å; I62-L85 HydrophobicContact CG1-CD1 4.26Å; I62-L85 HydrophobicContact CG2-CD1 4.48Å; I62-L85 HydrophobicContact CG2-CD2 4.1Å; I62-L85 HydrophobicContact CG2-CG 4.41Å |
| 63 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 116 | 174.3 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | W50 Y51 T53 A71 I72 | W50-V63 CarbonylContact C-O 3.57Å; W50-V63 WeakPolarHBondContact CA-O 3.48Å; Y51-V63 HydrophobicContact CD1-CB 4.11Å; Y51-V63 HydrophobicContact CD1-CG1 4.49Å; Y51-V63 HydrophobicContact CD2-CB 4.21Å; Y51-V63 HydrophobicContact CD2-CG2 4.39Å; Y51-V63 HydrophobicContact CE1-CB 3.65Å; Y51-V63 HydrophobicContact CE1-CG1 3.64Å; Y51-V63 HydrophobicContact CE2-CB 3.79Å; Y51-V63 HydrophobicContact CE2-CG1 4.33Å; Y51-V63 HydrophobicContact CE2-CG2 3.8Å; Y51-V63 HydrophobicContact CG-CB 4.37Å; Y51-V63 VanDerWaalsContact CZ-CB 3.49Å; Y51-V63 PolarHBondContact N-O 3.49Å; Y51-V63 PolarHBondContact O-N 2.86Å; Y51-V63 WeakPolarHBondContact OH-CG1 3.46Å; T53-V63 HydrophobicContact CG2-CG2 3.87Å; V63-A71 HydrophobicContact CG1-CB 3.79Å; V63-I72 WeakPolarHBondContact CA-O 3.02Å |
| 64 | F | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 134.3 | 167.7 | -62.4 | -69.2 | 0 | 0 | 0 | 110.1 | I42 L47 W50 I62 A71 I72 S74 V81 A84 L85 L88 | I42-F64 HydrophobicContact CD1-CD2 4.48Å; I42-F64 HydrophobicContact CD1-CE2 3.97Å; I42-F64 HydrophobicContact CG2-CD2 4.23Å; I42-F64 HydrophobicContact CG2-CE2 4.41Å; L47-F64 HydrophobicContact CD1-CD1 3.9Å; L47-F64 HydrophobicContact CD1-CE1 4.33Å; L47-F64 HydrophobicContact CD1-CG 4.15Å; L47-F64 HydrophobicContact CD2-CB 3.83Å; L47-F64 HydrophobicContact CD2-CG 4.32Å; W50-F64 HydrophobicContact CB-CD1 3.72Å; W50-F64 HydrophobicContact CB-CE1 3.99Å; I62-F64 HydrophobicContact CG2-CD1 4.46Å; I62-F64 HydrophobicContact CG2-CE1 4.01Å; I62-F64 HydrophobicContact CG2-CE2 4.2Å; I62-F64 HydrophobicContact CG2-CZ 3.86Å; F64-A71 CarbonylContact O-C 3.52Å; F64-A71 WeakPolarHBondContact O-CA 3.42Å; F64-I72 HydrophobicContact CB-CB 4.3Å; F64-I72 PolarHBondContact N-O 3.45Å; F64-I72 PolarHBondContact O-N 3.49Å; F64-S74 WeakPolarHBondContact CD2-OG 3.08Å; F64-V81 HydrophobicContact CE2-CB 4.4Å; F64-V81 HydrophobicContact CE2-CG1 3.88Å; F64-V81 HydrophobicContact CE2-CG2 4.3Å; F64-V81 HydrophobicContact CZ-CG1 3.84Å; F64-A84 HydrophobicContact CE1-CB 3.92Å; F64-A84 HydrophobicContact CE2-CB 4.13Å; F64-A84 HydrophobicContact CZ-CB 3.56Å; F64-L85 HydrophobicContact CE1-CD2 4.28Å; F64-L85 HydrophobicContact CE1-CG 4.19Å; F64-L85 HydrophobicContact CZ-CG 4.17Å; F64-L88 HydrophobicContact CD1-CD1 3.79Å; F64-L88 HydrophobicContact CE1-CD1 4.01Å |
| 65 | V | 97.6 | Very high | 96.1 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125 | 173.2 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | K48 T49 Y51 | K48-V65 WeakPolarHBondContact CB-O 3.29Å; K48-V65 PolarHBondContact N-O 3.13Å; T49-V65 HydrophobicContact CG2-CB 3.75Å; T49-V65 HydrophobicContact CG2-CG1 4.47Å; T49-V65 HydrophobicContact CG2-CG2 4.03Å; T49-V65 PolarHBondContact N-O 3.27Å; T49-V65 PolarHBondContact O-N 3.5Å; Y51-V65 HydrophobicContact CD1-CG2 4.1Å; Y51-V65 HydrophobicContact CE1-CG2 3.64Å |
| 66 | T | 97.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 52.1 Ų | 52.1 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 166 | 176.7 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | K46 L47 Q68 N69 K70 I72 | K46-T66 CarbonylContact O-C 3.44Å; K46-T66 WeakPolarHBondContact O-CA 3.12Å; K46-T66 VanDerWaalsContact O-CB 3.29Å; K46-T66 WeakPolarHBondContact O-CB 3.43Å; L47-T66 HydrophobicContact CD2-CG2 4.28Å; T66-Q68 PolarHBondContact O-N 2.05Å; T66-Q68 VanDerWaalsContact O-N 3.13Å; T66-Q68 PolarHBondContact OG1-N 3.45Å; T66-N69 WeakPolarHBondContact O-CA 3.2Å; T66-N69 PolarHBondContact O-N 3.11Å; T66-K70 HydrophobicContact CG2-CB 4.48Å; T66-K70 PolarHBondContact N-O 3.25Å; T66-K70 WeakPolarHBondContact OG1-CB 3.44Å; T66-K70 PolarHBondContact OG1-N 3.45Å; T66-K70 PolarHBondContact OG1-O 3.04Å; T66-I72 HydrophobicContact CG2-CD1 3.8Å; T66-I72 HydrophobicContact CG2-CG1 4.44Å |
| 67 | V | 96.9 | Very high | 96.7 | Very high | 90 Ų | 90 | 54 Ų | 54 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23 | 172 | -63.4 | 0 | 0 | 0 | 0 | 113.3 | K46 K48 N69 | K46-V67 PolarHBondContact O-N 3.14Å; K48-V67 HydrophobicContact CB-CG1 4.12Å; V67-N69 VanDerWaalsContact C-N 3.26Å; V67-N69 PolarHBondContact O-N 2.61Å |
| 68 | Q | 97.1 | Very high | 96.9 | Very high | 123 Ų | 123 | 56.7 Ų | 56.7 | 58% | 0.575 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 15.1 | 173.4 | -63.6 | -178 | -5.3 | 0 | 0 | 112.8 | T66 K70 | T66-Q68 PolarHBondContact O-N 2.05Å; T66-Q68 VanDerWaalsContact O-N 3.13Å; T66-Q68 PolarHBondContact OG1-N 3.45Å; Q68-K70 HydrophobicContact CB-CG 4.37Å; Q68-K70 PolarHBondContact O-N 3.43Å; Q68-K70 VanDerWaalsContact O-N 3.1Å |
| 69 | N | 96.3 | Very high | 97.1 | Very high | 118 Ų | 118 | 59.9 Ų | 59.9 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | trans | 56.6 | 22.2 | -176.6 | -61.6 | -34.7 | 0 | 0 | 0 | 114.8 | T66 V67 | T66-N69 WeakPolarHBondContact O-CA 3.2Å; T66-N69 PolarHBondContact O-N 3.11Å; V67-N69 VanDerWaalsContact C-N 3.26Å; V67-N69 PolarHBondContact O-N 2.61Å | ||
| 70 | K | 96.6 | Very high | 97.2 | Very high | 127 Ų | 127 | 61.2 Ų | 61.2 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | trans | -80.3 | 128.7 | 171.2 | -58.7 | 179.6 | 176.9 | 171.3 | 0 | 110 | T66 Q68 | T66-K70 HydrophobicContact CG2-CB 4.48Å; T66-K70 PolarHBondContact N-O 3.25Å; T66-K70 WeakPolarHBondContact OG1-CB 3.44Å; T66-K70 PolarHBondContact OG1-N 3.45Å; T66-K70 PolarHBondContact OG1-O 3.04Å; Q68-K70 HydrophobicContact CB-CG 4.37Å; Q68-K70 PolarHBondContact O-N 3.43Å; Q68-K70 VanDerWaalsContact O-N 3.1Å | ||
| 71 | A | 96.8 | Very high | 97.3 | Very high | 53 Ų | 53 | 57 Ų | 57 | 44% | 0.438 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 137.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V63 F64 | V63-A71 HydrophobicContact CG1-CB 3.79Å; F64-A71 CarbonylContact O-C 3.52Å; F64-A71 WeakPolarHBondContact O-CA 3.42Å |
| 72 | I | 97.7 | Very high | 97.2 | Very high | 16 Ų | 16 | 61.9 Ų | 61.9 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 100.2 | 179.2 | -54.7 | 177.1 | 0 | 0 | 0 | 108.6 | F38 P43 V63 F64 T66 S74 | F38-I72 HydrophobicContact CB-CG2 3.61Å; F38-I72 HydrophobicContact CD1-CG2 3.58Å; F38-I72 HydrophobicContact CE1-CG2 4.35Å; F38-I72 HydrophobicContact CG-CG2 3.68Å; P43-I72 HydrophobicContact CG-CD1 4.17Å; V63-I72 WeakPolarHBondContact CA-O 3.02Å; F64-I72 HydrophobicContact CB-CB 4.3Å; F64-I72 PolarHBondContact N-O 3.45Å; F64-I72 PolarHBondContact O-N 3.49Å; T66-I72 HydrophobicContact CG2-CD1 3.8Å; T66-I72 HydrophobicContact CG2-CG1 4.44Å; I72-S74 PolarHBondContact O-N 3.06Å; I72-S74 PolarHBondContact O-OG 2.83Å; I72-S74 VanDerWaalsContact O-OG 3.13Å |
| 73 | C | 98 | Very high | 97.1 | Very high | 27 Ų | 27 | 68.4 Ų | 68.4 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 124.1 | 172.3 | -74.1 | 0 | 0 | 0 | 0 | 111.1 | C34 K36 F38 | C34-C73 VanDerWaalsContact CA-SG 3.6Å; C34-C73 HydrophobicContact CB-CB 3.63Å; C34-C73 WeakPolarHBondContact CB-SG 3.4Å; C34-C73 VanDerWaalsContact SG-CA 3.58Å; C34-C73 WeakPolarHBondContact SG-CB 3.35Å; C34-C73 CovalentContact SG-SG 2.04Å; C34-C73 PolarHBondContact SG-SG 2.7Å; K36-C73 VanDerWaalsContact O-CB 3.3Å; K36-C73 WeakPolarHBondContact O-CB 3.32Å; F38-C73 WeakPolarHBondContact CB-O 3.12Å; F38-C73 PolarHBondContact N-O 3.04Å |
| 74 | S | 98 | Very high | 97.1 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 146.9 | -174.2 | -46.9 | 0 | 0 | 0 | 0 | 112.2 | A61 I62 F64 I72 P76 V81 | A61-S74 WeakPolarHBondContact CA-O 3.42Å; I62-S74 PolarHBondContact N-O 3.02Å; I62-S74 WeakPolarHBondContact O-CA 3.3Å; I62-S74 WeakPolarHBondContact O-CB 3.39Å; I62-S74 PolarHBondContact O-N 3.42Å; F64-S74 WeakPolarHBondContact CD2-OG 3.08Å; I72-S74 PolarHBondContact O-N 3.06Å; I72-S74 PolarHBondContact O-OG 2.83Å; I72-S74 VanDerWaalsContact O-OG 3.13Å; S74-P76 WeakPolarHBondContact O-CD 3.31Å; S74-V81 VanDerWaalsContact CB-CG2 3.49Å |
| 75 | D | 97.9 | Very high | 97 | Very high | 50 Ų | 50 | 69.6 Ų | 69.6 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | trans | -71.6 | 119.9 | 177.9 | -175.3 | -16.4 | 0 | 0 | 0 | 110.5 | Y37 N77 D78 V81 | Y37-D75 HydrophobicContact CD1-CB 4.36Å; Y37-D75 HydrophobicContact CD2-CB 3.73Å; Y37-D75 HydrophobicContact CE1-CB 4.35Å; Y37-D75 HydrophobicContact CE2-CB 3.72Å; Y37-D75 HydrophobicContact CG-CB 4.07Å; D75-N77 PolarHBondContact O-N 2.89Å; D75-N77 VanDerWaalsContact O-N 3.1Å; D75-N77 WeakPolarHBondContact OD1-CB 3.45Å; D75-N77 PolarHBondContact OD1-N 2.71Å; D75-N77 PolarHBondContact OD1-ND2 3.4Å; D75-D78 HydrophobicContact CB-CB 4.25Å; D75-D78 PolarHBondContact O-N 3.35Å; D75-D78 VanDerWaalsContact O-N 3.14Å; D75-V81 WeakPolarHBondContact O-CB 3.14Å; D75-V81 VanDerWaalsContact O-CG2 3.32Å; D75-V81 WeakPolarHBondContact O-CG2 2.98Å | ||
| 76 | P | 97.2 | Very high | 97 | Very high | 29 Ų | 29 | 75.5 Ų | 75.5 | 19% | 0.188 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23.9 | 178 | -20.3 | 31.3 | 0 | 0 | 0 | 113.8 | D60 I62 S74 K82 | D60-P76 HydrophobicContact CB-CG 4.02Å; D60-P76 WeakPolarHBondContact O-CD 3.46Å; I62-P76 HydrophobicContact CG1-CB 4.15Å; I62-P76 HydrophobicContact CG1-CG 4.19Å; S74-P76 WeakPolarHBondContact O-CD 3.31Å; P76-K82 WeakPolarHBondContact O-CE 3.38Å |
| 77 | N | 96.6 | Very high | 96.9 | Very high | 119 Ų | 119 | 79 Ų | 79 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -16.9 | -177.9 | -63.2 | -57 | 0 | 0 | 0 | 113.4 | D75 K79 | D75-N77 PolarHBondContact O-N 2.89Å; D75-N77 VanDerWaalsContact O-N 3.1Å; D75-N77 WeakPolarHBondContact OD1-CB 3.45Å; D75-N77 PolarHBondContact OD1-N 2.71Å; D75-N77 PolarHBondContact OD1-ND2 3.4Å; N77-K79 PolarHBondContact O-N 3.35Å |
| 78 | D | 97.1 | Very high | 96.8 | Very high | 66 Ų | 66 | 75 Ų | 75 | 35% | 0.353 | 36% | 0.362 | S | S | . | . | trans | -67.5 | 129.1 | 179.4 | -173.6 | -24.5 | 0 | 0 | 0 | 111.1 | D75 K80 V81 K82 | D75-D78 HydrophobicContact CB-CB 4.25Å; D75-D78 PolarHBondContact O-N 3.35Å; D75-D78 VanDerWaalsContact O-N 3.14Å; D78-K80 PolarHBondContact O-N 2.72Å; D78-K80 WeakPolarHBondContact OD1-CB 3.44Å; D78-K80 PolarHBondContact OD1-N 3.29Å; D78-V81 HydrophobicContact CB-CB 4.23Å; D78-V81 HydrophobicContact CB-CG2 3.84Å; D78-V81 WeakPolarHBondContact O-CB 3.35Å; D78-V81 PolarHBondContact O-N 3.08Å; D78-V81 VanDerWaalsContact O-N 3.09Å; D78-K82 PolarHBondContact O-N 3.3Å; D78-K82 VanDerWaalsContact O-N 3.07Å | ||
| 79 | K | 96.3 | Very high | 96.7 | Very high | 180 Ų | 180 | 72.9 Ų | 72.9 | 78% | 0.783 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -57.2 | -34.6 | 177.1 | -63.5 | -177.3 | -177.9 | 178.8 | 0 | 112.5 | N77 K82 K83 | N77-K79 PolarHBondContact O-N 3.35Å; K79-K82 PolarHBondContact O-N 3.48Å; K79-K83 PolarHBondContact O-N 3.45Å |
| 80 | K | 95.3 | Very high | 96.7 | Very high | 149 Ų | 149 | 70.4 Ų | 70.4 | 65% | 0.648 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.8 | -37.7 | 177.4 | -64.5 | 175.4 | -176.2 | 170.5 | 0 | 111.5 | I42 D78 K83 A84 | I42-K80 HydrophobicContact CD1-CB 4.44Å; D78-K80 PolarHBondContact O-N 2.72Å; D78-K80 WeakPolarHBondContact OD1-CB 3.44Å; D78-K80 PolarHBondContact OD1-N 3.29Å; K80-K83 PolarHBondContact O-N 3.39Å; K80-A84 PolarHBondContact O-N 3.43Å |
| 81 | V | 97.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 175.5 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | I42 I62 F64 S74 D75 D78 K83 A84 L85 | I42-V81 HydrophobicContact CD1-CB 4.5Å; I42-V81 HydrophobicContact CD1-CG2 3.65Å; I62-V81 HydrophobicContact CB-CG1 4.05Å; I62-V81 HydrophobicContact CG1-CG1 4.22Å; I62-V81 HydrophobicContact CG2-CG1 4.35Å; F64-V81 HydrophobicContact CE2-CB 4.4Å; F64-V81 HydrophobicContact CE2-CG1 3.88Å; F64-V81 HydrophobicContact CE2-CG2 4.3Å; F64-V81 HydrophobicContact CZ-CG1 3.84Å; S74-V81 VanDerWaalsContact CB-CG2 3.49Å; D75-V81 WeakPolarHBondContact O-CB 3.14Å; D75-V81 VanDerWaalsContact O-CG2 3.32Å; D75-V81 WeakPolarHBondContact O-CG2 2.98Å; D78-V81 HydrophobicContact CB-CB 4.23Å; D78-V81 HydrophobicContact CB-CG2 3.84Å; D78-V81 WeakPolarHBondContact O-CB 3.35Å; D78-V81 PolarHBondContact O-N 3.08Å; D78-V81 VanDerWaalsContact O-N 3.09Å; V81-K83 VanDerWaalsContact C-N 3.28Å; V81-K83 PolarHBondContact O-N 3.41Å; V81-A84 WeakPolarHBondContact O-CB 3.41Å; V81-A84 PolarHBondContact O-N 2.89Å; V81-A84 VanDerWaalsContact O-N 3.1Å; V81-L85 HydrophobicContact CG1-CD1 4.3Å; V81-L85 PolarHBondContact O-N 3.5Å |
| 82 | K | 97.3 | Very high | 95.8 | Very high | 102 Ų | 102 | 72.8 Ų | 72.8 | 44% | 0.443 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.2 | -37.9 | 174.5 | -66.1 | 177.8 | -177.2 | 177.4 | 0 | 112.5 | P76 D78 K79 K86 | P76-K82 WeakPolarHBondContact O-CE 3.38Å; D78-K82 PolarHBondContact O-N 3.3Å; D78-K82 VanDerWaalsContact O-N 3.07Å; K79-K82 PolarHBondContact O-N 3.48Å; K82-K86 WeakPolarHBondContact O-CG 3.44Å; K82-K86 PolarHBondContact O-N 2.96Å; K82-K86 VanDerWaalsContact O-N 3.12Å |
| 83 | K | 96.3 | Very high | 94.9 | Very high | 147 Ų | 147 | 82.5 Ų | 82.5 | 64% | 0.639 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.7 | -41.8 | 174.6 | -171.7 | 176.3 | -178.9 | 177.3 | 0 | 111.9 | K79 K80 V81 K86 Y87 | K79-K83 PolarHBondContact O-N 3.45Å; K80-K83 PolarHBondContact O-N 3.39Å; V81-K83 VanDerWaalsContact C-N 3.28Å; V81-K83 PolarHBondContact O-N 3.41Å; K83-K86 PolarHBondContact O-N 2.98Å; K83-Y87 PolarHBondContact O-N 2.98Å |
| 84 | A | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 88.7 Ų | 88.7 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I42 L44 L47 F64 K80 V81 Y87 L88 | I42-A84 HydrophobicContact CG2-CB 4.13Å; L44-A84 HydrophobicContact CD2-CB 3.44Å; L44-A84 VanDerWaalsContact CD2-CB 3.44Å; L47-A84 HydrophobicContact CD1-CB 4.03Å; F64-A84 HydrophobicContact CE1-CB 3.92Å; F64-A84 HydrophobicContact CE2-CB 4.13Å; F64-A84 HydrophobicContact CZ-CB 3.56Å; K80-A84 PolarHBondContact O-N 3.43Å; V81-A84 WeakPolarHBondContact O-CB 3.41Å; V81-A84 PolarHBondContact O-N 2.89Å; V81-A84 VanDerWaalsContact O-N 3.1Å; A84-Y87 WeakPolarHBondContact O-CB 3.28Å; A84-Y87 PolarHBondContact O-N 3.46Å; A84-L88 PolarHBondContact O-N 3.35Å |
| 85 | L | 97.1 | Very high | 93 | Very high | 25 Ų | 25 | 92.9 Ų | 92.9 | 13% | 0.131 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.1 | -50.9 | 172.5 | -80 | 164.9 | 0 | 0 | 0 | 111.8 | W50 I62 F64 V81 Y87 L88 Q89 | W50-L85 HydrophobicContact CB-CD2 4.32Å; W50-L85 HydrophobicContact CD2-CD2 3.21Å; W50-L85 VanDerWaalsContact CE2-CD2 3.42Å; W50-L85 HydrophobicContact CE3-CD2 3.55Å; W50-L85 HydrophobicContact CG-CD2 3.56Å; W50-L85 HydrophobicContact CH2-CD2 4.21Å; W50-L85 HydrophobicContact CZ2-CD2 3.93Å; W50-L85 HydrophobicContact CZ3-CD2 4.03Å; I62-L85 HydrophobicContact CG1-CD1 4.26Å; I62-L85 HydrophobicContact CG2-CD1 4.48Å; I62-L85 HydrophobicContact CG2-CD2 4.1Å; I62-L85 HydrophobicContact CG2-CG 4.41Å; F64-L85 HydrophobicContact CE1-CD2 4.28Å; F64-L85 HydrophobicContact CE1-CG 4.19Å; F64-L85 HydrophobicContact CZ-CG 4.17Å; V81-L85 HydrophobicContact CG1-CD1 4.3Å; V81-L85 PolarHBondContact O-N 3.5Å; L85-Y87 VanDerWaalsContact C-N 3.28Å; L85-Y87 PolarHBondContact O-N 3Å; L85-L88 PolarHBondContact O-N 3.35Å; L85-Q89 WeakPolarHBondContact O-CB 3.42Å; L85-Q89 VanDerWaalsContact O-CG 3.29Å; L85-Q89 WeakPolarHBondContact O-CG 3.37Å; L85-Q89 PolarHBondContact O-N 3.34Å |
| 86 | K | 96.6 | Very high | 92.8 | Very high | 148 Ų | 148 | 95.2 Ų | 95.2 | 64% | 0.643 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.7 | -40.3 | 177.4 | -72.6 | -179.9 | -179.2 | -171.9 | 0 | 112.3 | K82 K83 Q89 S90 | K82-K86 WeakPolarHBondContact O-CG 3.44Å; K82-K86 PolarHBondContact O-N 2.96Å; K82-K86 VanDerWaalsContact O-N 3.12Å; K83-K86 PolarHBondContact O-N 2.98Å; K86-Q89 PolarHBondContact O-N 3.07Å; K86-S90 WeakPolarHBondContact O-CB 3.42Å; K86-S90 PolarHBondContact O-N 3.34Å |
| 87 | Y | 95.2 | Very high | 92.5 | Very high | 82 Ų | 82 | 98.8 Ų | 98.8 | 32% | 0.322 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.4 | -53 | 175.2 | 172.2 | -106.8 | 0 | 0 | 0 | 111.2 | L44 K83 A84 L85 Q89 S90 L91 | L44-Y87 HydrophobicContact CB-CD1 4.33Å; L44-Y87 HydrophobicContact CB-CE1 4.36Å; L44-Y87 HydrophobicContact CD2-CD1 4.39Å; L44-Y87 VanDerWaalsContact O-CE1 3.31Å; L44-Y87 WeakPolarHBondContact O-CE1 3.32Å; K83-Y87 PolarHBondContact O-N 2.98Å; A84-Y87 WeakPolarHBondContact O-CB 3.28Å; A84-Y87 PolarHBondContact O-N 3.46Å; L85-Y87 VanDerWaalsContact C-N 3.28Å; L85-Y87 PolarHBondContact O-N 3Å; Y87-Q89 PolarHBondContact O-N 3.45Å; Y87-S90 PolarHBondContact O-N 3.46Å; Y87-S90 VanDerWaalsContact O-N 3.17Å; Y87-S90 PolarHBondContact O-OG 3Å; Y87-L91 HydrophobicContact CD1-CD1 4.35Å; Y87-L91 HydrophobicContact CE1-CD1 3.73Å; Y87-L91 HydrophobicContact CE2-CD1 4.25Å; Y87-L91 HydrophobicContact CE2-CD2 4.48Å; Y87-L91 HydrophobicContact CE2-CG 4.44Å; Y87-L91 PolarHBondContact O-N 3.02Å |
| 88 | L | 95.9 | Very high | 92.3 | Very high | 7 Ų | 7 | 97.6 Ų | 97.6 | 4% | 0.037 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 177.9 | -74.1 | 173.7 | 0 | 0 | 0 | 112.6 | L47 W50 F64 A84 L85 S90 L91 Q92 | L47-L88 HydrophobicContact CB-CD1 4.1Å; L47-L88 HydrophobicContact CB-CD2 3.79Å; L47-L88 HydrophobicContact CB-CG 4.23Å; L47-L88 HydrophobicContact CD1-CD1 4.05Å; L47-L88 HydrophobicContact CD1-CG 4.38Å; W50-L88 HydrophobicContact CB-CD1 4.11Å; W50-L88 HydrophobicContact CG-CD1 4.3Å; F64-L88 HydrophobicContact CD1-CD1 3.79Å; F64-L88 HydrophobicContact CE1-CD1 4.01Å; A84-L88 PolarHBondContact O-N 3.35Å; L85-L88 PolarHBondContact O-N 3.35Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.48Å; L88-L91 PolarHBondContact O-N 3.11Å; L88-Q92 PolarHBondContact O-N 3.48Å |
| 89 | Q | 95.1 | Very high | 92 | Very high | 78 Ų | 78 | 99.6 Ų | 99.6 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 176.7 | -72.9 | 171.4 | -17.2 | 0 | 0 | 112.5 | L85 K86 Y87 L91 Q92 | L85-Q89 WeakPolarHBondContact O-CB 3.42Å; L85-Q89 VanDerWaalsContact O-CG 3.29Å; L85-Q89 WeakPolarHBondContact O-CG 3.37Å; L85-Q89 PolarHBondContact O-N 3.34Å; K86-Q89 PolarHBondContact O-N 3.07Å; Y87-Q89 PolarHBondContact O-N 3.45Å; Q89-L91 VanDerWaalsContact C-N 3.32Å; Q89-Q92 PolarHBondContact O-N 3.45Å |
| 90 | S | 94.8 | Very high | 91.7 | Very high | 66 Ų | 66 | 94.3 Ų | 94.3 | 46% | 0.462 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68 | -33.3 | 176.5 | 74.1 | 0 | 0 | 0 | 0 | 112.4 | K86 Y87 L88 R93 | K86-S90 WeakPolarHBondContact O-CB 3.42Å; K86-S90 PolarHBondContact O-N 3.34Å; Y87-S90 PolarHBondContact O-N 3.46Å; Y87-S90 VanDerWaalsContact O-N 3.17Å; Y87-S90 PolarHBondContact O-OG 3Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.48Å; S90-R93 PolarHBondContact O-N 2.98Å |
| 91 | L | 91.1 | Very high | 91.4 | Very high | 88 Ų | 88 | 90.4 Ų | 90.4 | 46% | 0.461 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.3 | -29.3 | 176.2 | -63.4 | 178.3 | 0 | 0 | 0 | 113 | Y87 L88 Q89 R93 | Y87-L91 HydrophobicContact CD1-CD1 4.35Å; Y87-L91 HydrophobicContact CE1-CD1 3.73Å; Y87-L91 HydrophobicContact CE2-CD1 4.25Å; Y87-L91 HydrophobicContact CE2-CD2 4.48Å; Y87-L91 HydrophobicContact CE2-CG 4.44Å; Y87-L91 PolarHBondContact O-N 3.02Å; L88-L91 PolarHBondContact O-N 3.11Å; Q89-L91 VanDerWaalsContact C-N 3.32Å; L91-R93 VanDerWaalsContact C-N 3.29Å |
| 92 | Q | 84.7 | Confident | 91 | Very high | 143 Ų | 143 | 97.2 Ų | 97.2 | 67% | 0.668 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -77.1 | -15.1 | 178.1 | -68.9 | -173.6 | -63.6 | 0 | 0 | 113.8 | L88 Q89 | L88-Q92 PolarHBondContact O-N 3.48Å; Q89-Q92 PolarHBondContact O-N 3.45Å |
| 93 | R | 78.8 | Confident | 90.5 | Very high | 219 Ų | 219 | 96.8 Ų | 96.8 | 83% | 0.826 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -9.2 | -179.7 | -70.6 | -179.8 | 179.2 | -179.9 | -0.5 | 113.3 | S90 L91 | S90-R93 PolarHBondContact O-N 2.98Å; L91-R93 VanDerWaalsContact C-N 3.29Å |
| 94 | S | 63 | Low | 89.9 | Confident | 158 Ų | 158 | 92.2 Ų | 92.2 | 100% | 1.105 | 46% | 0.456 | S | S | * | . | trans | -91.9 | 0 | 175.9 | -176 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 94 of 94 residues in 148.5 ms
(Link to these results)