| 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 | 50.3 | Low | 66.6 | Low | 246 Ų | 246 | 120.3 Ų | 120.3 | 100% | 1.212 | 68% | 0.683 | S | S | * | * | 0 | 107.4 | 0 | -70.5 | 93.6 | 96.6 | 0 | 0 | 109.1 | |||||
| 2 | G | 57.5 | Low | 67.9 | Low | 76 Ų | 76 | 116.9 Ų | 116.9 | 78% | 0.784 | 67% | 0.666 | S | S | * | * | trans | -144.9 | 50.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3 | S | 58.5 | Low | 69 | Low | 89 Ų | 89 | 115.5 Ų | 115.5 | 62% | 0.622 | 66% | 0.655 | S | S | * | * | trans | -125.1 | -11.4 | -174.2 | -144.3 | 0 | 0 | 0 | 0 | 114.2 | V7 | S3-V7 WeakPolarHBondContact O-CG2 3.34Š| ||
| 4 | T | 58 | Low | 69.9 | Low | 114 Ų | 114 | 112.9 Ų | 112.9 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81.8 | -30.7 | -175.4 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | H8 | T4-H8 PolarHBondContact O-N 3.04Å |
| 5 | S | 61.6 | Low | 70.7 | Confident | 96 Ų | 96 | 112 Ų | 112 | 67% | 0.671 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.1 | -35.9 | -177.4 | -164.2 | 0 | 0 | 0 | 0 | 113.4 | F9 | S5-F9 WeakPolarHBondContact O-CB 3.27Å; S5-F9 PolarHBondContact O-N 3.46Å; S5-F9 VanDerWaalsContact O-N 3.12Å |
| 6 | N | 67.6 | Low | 71.2 | Confident | 115 Ų | 115 | 112 Ų | 112 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.8 | -37.8 | 177.9 | -88.7 | -34.6 | 0 | 0 | 0 | 111.9 | F9 L10 | N6-F9 PolarHBondContact O-N 3Å; N6-L10 WeakPolarHBondContact O-CB 3.35Å; N6-L10 WeakPolarHBondContact O-CD1 3.35Å; N6-L10 WeakPolarHBondContact O-CG 3.31Å; N6-L10 PolarHBondContact O-N 3.3Å |
| 7 | V | 73.6 | Confident | 71.4 | Confident | 84 Ų | 84 | 107.6 Ų | 107.6 | 51% | 0.509 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68 | -40 | 177.5 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | S3 F9 L10 M11 | S3-V7 WeakPolarHBondContact O-CG2 3.34Å; V7-F9 PolarHBondContact O-N 3.41Å; V7-L10 PolarHBondContact O-N 3.4Å; V7-M11 HydrophobicContact CG1-CG 4.45Å; V7-M11 WeakPolarHBondContact O-CB 3.41Å; V7-M11 VanDerWaalsContact O-CG 3.27Å; V7-M11 WeakPolarHBondContact O-CG 3.32Å; V7-M11 PolarHBondContact O-N 3.34Å |
| 8 | H | 73.6 | Confident | 71.5 | Confident | 139 Ų | 139 | 107.7 Ų | 107.7 | 64% | 0.644 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.6 | -43 | 173.2 | -101.6 | -77.7 | 0 | 0 | 0 | 112.3 | T4 M11 V12 | T4-H8 PolarHBondContact O-N 3.04Å; H8-M11 PolarHBondContact O-N 3.37Å; H8-V12 WeakPolarHBondContact O-CG2 3.37Å; H8-V12 PolarHBondContact O-N 3.18Å |
| 9 | F | 78.8 | Confident | 71.3 | Confident | 140 Ų | 140 | 108 Ų | 108 | 61% | 0.614 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.5 | -42.8 | 179 | -162.4 | -101.6 | 0 | 0 | 0 | 112.1 | S5 N6 V7 V12 L13 | S5-F9 WeakPolarHBondContact O-CB 3.27Å; S5-F9 PolarHBondContact O-N 3.46Å; S5-F9 VanDerWaalsContact O-N 3.12Å; N6-F9 PolarHBondContact O-N 3Å; V7-F9 PolarHBondContact O-N 3.41Å; F9-V12 PolarHBondContact O-N 3.2Å; F9-L13 HydrophobicContact CD1-CD1 3.82Å; F9-L13 HydrophobicContact CD1-CG 4.4Å; F9-L13 HydrophobicContact CE1-CD1 3.67Å; F9-L13 HydrophobicContact CE1-CG 4.26Å; F9-L13 WeakPolarHBondContact O-CG 3.38Å; F9-L13 PolarHBondContact O-N 3.27Å |
| 10 | L | 75.7 | Confident | 70.9 | Confident | 113 Ų | 113 | 108.2 Ų | 108.2 | 59% | 0.592 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.6 | -41.9 | 174.3 | -79.9 | 156.6 | 0 | 0 | 0 | 112.2 | N6 V7 V12 L13 C14 | N6-L10 WeakPolarHBondContact O-CB 3.35Å; N6-L10 WeakPolarHBondContact O-CD1 3.35Å; N6-L10 WeakPolarHBondContact O-CG 3.31Å; N6-L10 PolarHBondContact O-N 3.3Å; V7-L10 PolarHBondContact O-N 3.4Å; L10-V12 PolarHBondContact O-N 3.44Å; L10-L13 PolarHBondContact O-N 3.39Å; L10-C14 WeakPolarHBondContact O-CB 3.49Å; L10-C14 PolarHBondContact O-N 2.93Å |
| 11 | M | 77.7 | Confident | 70.5 | Confident | 111 Ų | 111 | 110.4 Ų | 110.4 | 55% | 0.547 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.2 | -42.6 | 176.5 | -78.8 | -67.7 | -67.1 | 0 | 0 | 112.1 | V7 H8 C14 L15 | V7-M11 HydrophobicContact CG1-CG 4.45Å; V7-M11 WeakPolarHBondContact O-CB 3.41Å; V7-M11 VanDerWaalsContact O-CG 3.27Å; V7-M11 WeakPolarHBondContact O-CG 3.32Å; V7-M11 PolarHBondContact O-N 3.34Å; H8-M11 PolarHBondContact O-N 3.37Å; M11-C14 PolarHBondContact O-N 3.36Å; M11-L15 WeakPolarHBondContact O-CG 3.46Å; M11-L15 PolarHBondContact O-N 3.39Å |
| 12 | V | 82.1 | Confident | 71 | Confident | 80 Ų | 80 | 106.5 Ų | 106.5 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65 | -45 | 177.3 | 173.2 | 0 | 0 | 0 | 0 | 111 | H8 F9 L10 C14 L15 M16 | H8-V12 WeakPolarHBondContact O-CG2 3.37Å; H8-V12 PolarHBondContact O-N 3.18Å; F9-V12 PolarHBondContact O-N 3.2Å; L10-V12 PolarHBondContact O-N 3.44Å; V12-C14 VanDerWaalsContact C-N 3.3Å; V12-C14 PolarHBondContact O-N 3.35Å; V12-L15 PolarHBondContact O-N 3.05Å; V12-M16 HydrophobicContact CG1-CG 4.48Å; V12-M16 WeakPolarHBondContact O-CG 3.35Å; V12-M16 PolarHBondContact O-N 3.12Å |
| 13 | L | 81.9 | Confident | 71.1 | Confident | 99 Ų | 99 | 111.3 Ų | 111.3 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.7 | -40 | 175.5 | -72.9 | 174.2 | 0 | 0 | 0 | 112.1 | F9 L10 M16 G17 | F9-L13 HydrophobicContact CD1-CD1 3.82Å; F9-L13 HydrophobicContact CD1-CG 4.4Å; F9-L13 HydrophobicContact CE1-CD1 3.67Å; F9-L13 HydrophobicContact CE1-CG 4.26Å; F9-L13 WeakPolarHBondContact O-CG 3.38Å; F9-L13 PolarHBondContact O-N 3.27Å; L10-L13 PolarHBondContact O-N 3.39Å; L13-M16 PolarHBondContact O-N 3.34Å; L13-G17 PolarHBondContact O-N 3.49Å |
| 14 | C | 82.1 | Confident | 71.2 | Confident | 79 Ų | 79 | 110.3 Ų | 110.3 | 53% | 0.534 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66 | -41.2 | 178.7 | -147.4 | 0 | 0 | 0 | 0 | 111.8 | L10 M11 V12 G17 L18 | L10-C14 WeakPolarHBondContact O-CB 3.49Å; L10-C14 PolarHBondContact O-N 2.93Å; M11-C14 PolarHBondContact O-N 3.36Å; V12-C14 VanDerWaalsContact C-N 3.3Å; V12-C14 PolarHBondContact O-N 3.35Å; C14-G17 PolarHBondContact O-N 3.03Å; C14-L18 WeakPolarHBondContact O-CG 3.4Å; C14-L18 PolarHBondContact O-N 3.37Å |
| 15 | L | 80.9 | Confident | 70.6 | Confident | 99 Ų | 99 | 109 Ų | 109 | 52% | 0.518 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.3 | -43.1 | 175.5 | -72.4 | 170.3 | 0 | 0 | 0 | 111.9 | M11 V12 L18 L19 | M11-L15 WeakPolarHBondContact O-CG 3.46Å; M11-L15 PolarHBondContact O-N 3.39Å; V12-L15 PolarHBondContact O-N 3.05Å; L15-L18 PolarHBondContact O-N 3.33Å; L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 3.5Å |
| 16 | M | 78.8 | Confident | 69.7 | Low | 112 Ų | 112 | 114 Ų | 114 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.3 | -39.3 | 176.8 | -64.2 | -56.3 | -69.6 | 0 | 0 | 111.8 | V12 L13 L19 V20 | V12-M16 HydrophobicContact CG1-CG 4.48Å; V12-M16 WeakPolarHBondContact O-CG 3.35Å; V12-M16 PolarHBondContact O-N 3.12Å; L13-M16 PolarHBondContact O-N 3.34Å; M16-L19 PolarHBondContact O-N 3.44Å; M16-L19 HydrophobicContact SD-CD1 4.29Å; M16-V20 WeakPolarHBondContact O-CG2 3.42Å; M16-V20 PolarHBondContact O-N 2.94Å |
| 17 | G | 75.1 | Confident | 68.3 | Low | 37 Ų | 37 | 112.6 Ų | 112.6 | 38% | 0.381 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.7 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L13 C14 V20 M21 | L13-G17 PolarHBondContact O-N 3.49Å; C14-G17 PolarHBondContact O-N 3.03Å; G17-V20 PolarHBondContact O-N 2.97Å; G17-M21 WeakPolarHBondContact O-CG 3.34Å; G17-M21 PolarHBondContact O-N 3.39Å |
| 18 | L | 73.4 | Confident | 67 | Low | 110 Ų | 110 | 113 Ų | 113 | 58% | 0.576 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.5 | -38.6 | 175.7 | -71.9 | 170.5 | 0 | 0 | 0 | 112.1 | C14 L15 V20 M21 M22 | C14-L18 WeakPolarHBondContact O-CG 3.4Å; C14-L18 PolarHBondContact O-N 3.37Å; L15-L18 PolarHBondContact O-N 3.33Å; L18-V20 VanDerWaalsContact C-N 3.33Å; L18-V20 PolarHBondContact O-N 3.34Å; L18-M21 PolarHBondContact O-N 2.99Å; L18-M22 VanDerWaalsContact O-CG 3.31Å; L18-M22 WeakPolarHBondContact O-CG 3.34Å; L18-M22 PolarHBondContact O-N 2.9Å |
| 19 | L | 67.4 | Low | 65.4 | Low | 113 Ų | 113 | 112.1 Ų | 112.1 | 59% | 0.592 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.7 | -34.6 | 176.9 | -71.2 | 172 | 0 | 0 | 0 | 112.9 | L15 M16 | L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 3.5Å; M16-L19 PolarHBondContact O-N 3.44Å; M16-L19 HydrophobicContact SD-CD1 4.29Å |
| 20 | V | 64.4 | Low | 63.5 | Low | 112 Ų | 112 | 113.7 Ų | 113.7 | 68% | 0.679 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.2 | -32.4 | 178 | 176 | 0 | 0 | 0 | 0 | 111.9 | M16 G17 L18 M22 | M16-V20 WeakPolarHBondContact O-CG2 3.42Å; M16-V20 PolarHBondContact O-N 2.94Å; G17-V20 PolarHBondContact O-N 2.97Å; L18-V20 VanDerWaalsContact C-N 3.33Å; L18-V20 PolarHBondContact O-N 3.34Å; V20-M22 VanDerWaalsContact C-N 3.32Å; V20-M22 PolarHBondContact O-N 2.92Å |
| 21 | M | 62.2 | Low | 61.4 | Low | 155 Ų | 155 | 115 Ų | 115 | 76% | 0.764 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.4 | -16.1 | 179.6 | -65.3 | -69.2 | -74 | 0 | 0 | 113.8 | G17 L18 | G17-M21 WeakPolarHBondContact O-CG 3.34Å; G17-M21 PolarHBondContact O-N 3.39Å; L18-M21 PolarHBondContact O-N 2.99Å |
| 22 | M | 59.8 | Low | 59.6 | Low | 163 Ų | 163 | 117.5 Ų | 117.5 | 80% | 0.803 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 1 | -179.2 | -65.1 | -64.6 | -69.1 | 0 | 0 | 114 | L18 V20 | L18-M22 VanDerWaalsContact O-CG 3.31Å; L18-M22 WeakPolarHBondContact O-CG 3.34Å; L18-M22 PolarHBondContact O-N 2.9Å; V20-M22 VanDerWaalsContact C-N 3.32Å; V20-M22 PolarHBondContact O-N 2.92Å |
| 23 | M | 59.8 | Low | 57.9 | Low | 178 Ų | 178 | 119.8 Ų | 119.8 | 88% | 0.877 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 19.5 | 178 | -70.9 | -81.1 | -87.4 | 0 | 0 | 113.1 | ||
| 24 | G | 59.8 | Low | 55.5 | Low | 67 Ų | 67 | 118.7 Ų | 118.7 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | trans | -130.2 | 51.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 25 | A | 45.8 | Very low | 53.4 | Low | 88 Ų | 88 | 122.4 Ų | 122.4 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -160.4 | 109.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 26 | E | 44.1 | Very low | 51.4 | Low | 201 Ų | 201 | 124.1 Ų | 124.1 | 94% | 0.939 | 74% | 0.738 | S | S | * | * | trans | 167.8 | 147.8 | 147.3 | -99.5 | 166.4 | 152.9 | 0 | 0 | 108.3 | ||||
| 27 | A | 37.9 | Very low | 49.2 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | cis | -170.2 | 146.8 | -22.6 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 28 | A | 45.2 | Very low | 47.7 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 149.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 29 | P | 39.8 | Very low | 46 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 128.9 | 156.2 | -0.2 | 20.2 | 0 | 0 | 0 | 111.4 | ||
| 30 | H | 39.2 | Very low | 44.5 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 138.1 | 163.7 | -80.6 | -92.4 | 0 | 0 | 0 | 111.6 | ||
| 31 | V | 31.7 | Very low | 43.6 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -142 | 125 | 157.7 | 178.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 32 | H | 39.7 | Very low | 42.4 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | -120.5 | 171.8 | 164.5 | -74.6 | -72.1 | 0 | 0 | 0 | 108.3 | ||||
| 33 | P | 47.3 | Very low | 41.1 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | -124.9 | 158.6 | -66 | 34.6 | -18.1 | 0 | 0 | 0 | 111.5 | |||||
| 34 | G | 30.7 | Very low | 40.5 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -172.5 | 88.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 35 | L | 39.2 | Very low | 39.7 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 17.5 | 129.8 | 152.2 | -76.5 | 142.8 | 0 | 0 | 0 | 122.4 | ||||
| 36 | T | 37.1 | Very low | 39.5 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | 74.6 | 123.1 | 142.4 | 61.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 37 | G | 34.3 | Very low | 39.6 | Very low | 79 Ų | 79 | 143.3 Ų | 143.3 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | 152.4 | 81 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R39 | G37-R39 PolarHBondContact O-N 3.19Š| ||
| 38 | R | 43 | Very low | 40 | Very low | 257 Ų | 257 | 148.8 Ų | 148.8 | 97% | 0.97 | 82% | 0.818 | S | S | * | * | trans | -71.2 | 108.2 | 174.2 | -167.2 | -179.3 | -171 | 173.9 | 2.3 | 109.8 | ||||
| 39 | R | 37.1 | Very low | 40 | Very low | 226 Ų | 226 | 153 Ų | 153 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -154.8 | 108.9 | 160.7 | -153.6 | 170 | -168.9 | 171.2 | 2.4 | 111.6 | G37 Q41 | G37-R39 PolarHBondContact O-N 3.19Å; R39-Q41 PolarHBondContact O-N 3.29Å | ||
| 40 | S | 36.7 | Very low | 40.2 | Very low | 103 Ų | 103 | 152.8 Ų | 152.8 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | trans | -73.7 | 113.2 | 174.3 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 41 | Q | 45.2 | Very low | 40.9 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | trans | -123.3 | 98 | 164.2 | -91.2 | -178.2 | -30.8 | 0 | 0 | 107 | R39 N43 | R39-Q41 PolarHBondContact O-N 3.29Å; Q41-N43 PolarHBondContact O-N 3.24Å | ||
| 42 | N | 36.6 | Very low | 42.2 | Very low | 145 Ų | 145 | 150.6 Ų | 150.6 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | -76.1 | 109.3 | 171.8 | -75.5 | -7.7 | 0 | 0 | 0 | 108.8 | ||||
| 43 | N | 33.8 | Very low | 42.6 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -75.6 | 113.6 | 174.6 | -165.8 | -20.1 | 0 | 0 | 0 | 108.7 | Q41 Q45 | Q41-N43 PolarHBondContact O-N 3.24Å; N43-Q45 PolarHBondContact O-N 3.31Å; N43-Q45 VanDerWaalsContact O-N 3.15Å | ||
| 44 | L | 45.9 | Very low | 42.8 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -69.7 | 106.3 | 174.2 | -110.4 | 75.3 | 0 | 0 | 0 | 108.8 | G46 | L44-G46 PolarHBondContact O-N 3.4Š| ||
| 45 | Q | 43.1 | Very low | 44.4 | Very low | 183 Ų | 183 | 146.1 Ų | 146.1 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -51.6 | 124.6 | 168.8 | -84.4 | 166.2 | -5.8 | 0 | 0 | 110.6 | N43 H47 | N43-Q45 PolarHBondContact O-N 3.31Å; N43-Q45 VanDerWaalsContact O-N 3.15Å; Q45-H47 PolarHBondContact O-N 3.2Å | ||
| 46 | G | 41.5 | Very low | 45.5 | Very low | 76 Ų | 76 | 144.7 Ų | 144.7 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | -55.8 | 108.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L44 K48 | L44-G46 PolarHBondContact O-N 3.4Å; G46-K48 PolarHBondContact O-N 2.8Å | ||
| 47 | H | 46.2 | Very low | 47.2 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | trans | -67.6 | 110.2 | 168.3 | -131.5 | 57.4 | 0 | 0 | 0 | 107.9 | Q45 K49 | Q45-H47 PolarHBondContact O-N 3.2Å; H47-K49 PolarHBondContact O-N 3.36Å | ||
| 48 | K | 46.6 | Very low | 49 | Very low | 199 Ų | 199 | 146.6 Ų | 146.6 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | trans | -58 | 112.6 | 166.2 | -76.3 | -176.5 | 177.9 | -179.8 | 0 | 107.3 | G46 | G46-K48 PolarHBondContact O-N 2.8Š| ||
| 49 | K | 44.5 | Very low | 51 | Low | 182 Ų | 182 | 141.7 Ų | 141.7 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -52.4 | 128.6 | 171.6 | -125.1 | -178.8 | -179.6 | -175.1 | 0 | 108.2 | H47 V51 | H47-K49 PolarHBondContact O-N 3.36Å; K49-V51 PolarHBondContact O-N 2.9Å | ||
| 50 | P | 45.5 | Very low | 53.3 | Low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -58 | 122.1 | 163.3 | -21.2 | 32.8 | 0 | 0 | 0 | 107.9 | E52 | P50-E52 PolarHBondContact O-N 2.83Å; P50-E52 VanDerWaalsContact O-N 3.11Å | ||
| 51 | V | 53.4 | Low | 55.8 | Low | 139 Ų | 139 | 137.1 Ų | 137.1 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | -68 | 106.7 | 169.7 | 174.2 | 0 | 0 | 0 | 0 | 106 | K49 | K49-V51 PolarHBondContact O-N 2.9Š| ||
| 52 | E | 57.8 | Low | 57.8 | Low | 126 Ų | 126 | 135.3 Ų | 135.3 | 59% | 0.589 | 76% | 0.764 | S | S | * | * | trans | -64.8 | 127.6 | 167.5 | -168 | 170.3 | -160.9 | 0 | 0 | 107.1 | P50 S54 | P50-E52 PolarHBondContact O-N 2.83Å; P50-E52 VanDerWaalsContact O-N 3.11Å; E52-S54 VanDerWaalsContact C-N 3.26Å; E52-S54 PolarHBondContact O-N 3.11Å | ||
| 53 | P | 49.1 | Very low | 60.1 | Low | 120 Ų | 120 | 133.1 Ų | 133.1 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | -69.4 | 93 | 173.5 | 25.8 | -28.8 | 0 | 0 | 0 | 107.6 | A55 | P53-A55 VanDerWaalsContact C-N 3.29Å; P53-A55 PolarHBondContact O-N 3.17Å | ||
| 54 | S | 51.5 | Low | 62.6 | Low | 100 Ų | 100 | 133.2 Ų | 133.2 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -63.7 | 95.3 | 166.9 | 55.8 | 0 | 0 | 0 | 0 | 107.2 | E52 | E52-S54 VanDerWaalsContact C-N 3.26Å; E52-S54 PolarHBondContact O-N 3.11Å | ||
| 55 | A | 64 | Low | 64.2 | Low | 55 Ų | 55 | 129.3 Ų | 129.3 | 46% | 0.455 | 73% | 0.727 | S | S | . | * | trans | -57 | 129.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | P53 N57 T58 | P53-A55 VanDerWaalsContact C-N 3.29Å; P53-A55 PolarHBondContact O-N 3.17Å; A55-N57 PolarHBondContact O-N 3.04Å; A55-T58 HydrophobicContact CB-CG2 4.12Å; A55-T58 PolarHBondContact O-N 3.15Å | ||
| 56 | P | 61.8 | Low | 66.1 | Low | 127 Ų | 127 | 123 Ų | 123 | 83% | 0.825 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -4.1 | -160 | 16.6 | -28.6 | 0 | 0 | 0 | 116.2 | ||
| 57 | N | 72.8 | Confident | 67.8 | Low | 151 Ų | 151 | 124.3 Ų | 124.3 | 81% | 0.807 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.6 | 23.7 | -174.7 | -67.1 | -11 | 0 | 0 | 0 | 114.9 | A55 I59 | A55-N57 PolarHBondContact O-N 3.04Å; N57-I59 PolarHBondContact O-N 3.04Å |
| 58 | T | 73.3 | Confident | 69.5 | Low | 104 Ų | 104 | 120.5 Ų | 120.5 | 64% | 0.638 | 69% | 0.688 | S | S | * | * | trans | -74.6 | 109.8 | 178.7 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | A55 | A55-T58 HydrophobicContact CB-CG2 4.12Å; A55-T58 PolarHBondContact O-N 3.15Å | ||
| 59 | I | 85.5 | Confident | 71.2 | Confident | 153 Ų | 153 | 116.7 Ų | 116.7 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | trans | -87.3 | 123.7 | 169.9 | -57.1 | 174.7 | 0 | 0 | 0 | 108.3 | N57 V61 | N57-I59 PolarHBondContact O-N 3.04Å; I59-V61 HydrophobicContact CG2-CG1 3.98Å | ||
| 60 | T | 85 | Confident | 72.7 | Confident | 130 Ų | 130 | 112.8 Ų | 112.8 | 80% | 0.798 | 66% | 0.664 | S | S | * | * | trans | -106.4 | 128.5 | 171.8 | -57.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 61 | V | 88.6 | Confident | 74.3 | Confident | 103 Ų | 103 | 114.8 Ų | 114.8 | 62% | 0.624 | 67% | 0.667 | S | S | * | * | trans | -119.9 | 143.6 | 178.2 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | I59 L63 | I59-V61 HydrophobicContact CG2-CG1 3.98Å; V61-L63 PolarHBondContact O-N 3.45Å | ||
| 62 | P | 87.8 | Confident | 75.3 | Confident | 133 Ų | 133 | 113.6 Ų | 113.6 | 86% | 0.864 | 66% | 0.662 | S | S | * | * | trans | -66.5 | 130.7 | 169.3 | 28.4 | -32.4 | 0 | 0 | 0 | 109.2 | ||||
| 63 | L | 85.1 | Confident | 76.2 | Confident | 100 Ų | 100 | 112 Ų | 112 | 52% | 0.524 | 67% | 0.67 | S | S | . | * | trans | -119.2 | 119.9 | 177.5 | -178.4 | 69.9 | 0 | 0 | 0 | 108.9 | V61 L65 L135 | V61-L63 PolarHBondContact O-N 3.45Å; L63-L65 HydrophobicContact CD1-CD2 4.09Å; L63-L65 HydrophobicContact CD2-CD1 3.97Å; L63-L65 HydrophobicContact CD2-CD2 3.93Å; L63-L65 HydrophobicContact CD2-CG 3.88Å; L63-L65 HydrophobicContact CG-CD2 3.96Å; L63-L65 HydrophobicContact CG-CG 3.94Å; L63-L135 HydrophobicContact CD2-CD1 3.34Å | ||
| 64 | H | 84.7 | Confident | 77.7 | Confident | 153 Ų | 153 | 116.9 Ų | 116.9 | 71% | 0.708 | 67% | 0.673 | S | S | * | * | trans | -101.8 | 116.8 | 170.9 | -169.2 | -101.7 | 0 | 0 | 0 | 108.3 | ||||
| 65 | L | 80.3 | Confident | 79 | Confident | 80 Ų | 80 | 118.6 Ų | 118.6 | 42% | 0.419 | 68% | 0.682 | S | S | . | * | trans | -109.4 | 94.3 | 175.3 | -63.7 | 177.1 | 0 | 0 | 0 | 107.5 | L63 P67 F98 L135 | L63-L65 HydrophobicContact CD1-CD2 4.09Å; L63-L65 HydrophobicContact CD2-CD1 3.97Å; L63-L65 HydrophobicContact CD2-CD2 3.93Å; L63-L65 HydrophobicContact CD2-CG 3.88Å; L63-L65 HydrophobicContact CG-CD2 3.96Å; L63-L65 HydrophobicContact CG-CG 3.94Å; L65-P67 WeakPolarHBondContact O-CD 3.41Å; L65-F98 HydrophobicContact CD1-CD1 4.31Å; L65-F98 HydrophobicContact CD1-CD2 4.45Å; L65-F98 HydrophobicContact CD1-CE1 4.29Å; L65-F98 HydrophobicContact CD1-CE2 4.42Å; L65-F98 HydrophobicContact CD1-CG 4.38Å; L65-F98 HydrophobicContact CD1-CZ 4.34Å; L65-F98 HydrophobicContact CD2-CE1 4.31Å; L65-L135 HydrophobicContact CD1-CD1 4.38Å | ||
| 66 | D | 82.6 | Confident | 79.8 | Confident | 52 Ų | 52 | 122.2 Ų | 122.2 | 28% | 0.278 | 70% | 0.698 | S | S | . | * | trans | -93 | 116.1 | 171 | -164.6 | -30.4 | 0 | 0 | 0 | 109 | S68 D69 | D66-S68 PolarHBondContact O-N 2.85Å; D66-S68 VanDerWaalsContact O-N 3.13Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 3.34Å; D66-S68 PolarHBondContact OD1-OG 3.06Å; D66-D69 HydrophobicContact CB-CB 4.19Å; D66-D69 WeakPolarHBondContact CB-OD2 3.45Å; D66-D69 PolarHBondContact O-N 2.78Å; D66-D69 VanDerWaalsContact O-N 3.07Å | ||
| 67 | P | 78 | Confident | 80.8 | Confident | 102 Ų | 102 | 127 Ų | 127 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -25 | 174 | -25.3 | 35.6 | 0 | 0 | 0 | 113.7 | L65 D69 L70 | L65-P67 WeakPolarHBondContact O-CD 3.41Å; P67-D69 VanDerWaalsContact C-N 3.33Å; P67-L70 HydrophobicContact CB-CD1 4.46Å; P67-L70 WeakPolarHBondContact O-CB 3.26Å; P67-L70 PolarHBondContact O-N 3.03Å |
| 68 | S | 82.2 | Confident | 81.4 | Confident | 104 Ų | 104 | 123.8 Ų | 123.8 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -27.9 | 179 | -39.4 | 0 | 0 | 0 | 0 | 112.5 | D66 L70 | D66-S68 PolarHBondContact O-N 2.85Å; D66-S68 VanDerWaalsContact O-N 3.13Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 3.34Å; D66-S68 PolarHBondContact OD1-OG 3.06Å; S68-L70 VanDerWaalsContact C-N 3.32Å |
| 69 | D | 81.9 | Confident | 82.4 | Confident | 119 Ų | 119 | 124.1 Ų | 124.1 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -8.9 | 176.8 | -68.4 | -26.8 | 0 | 0 | 0 | 112.3 | D66 P67 I71 | D66-D69 HydrophobicContact CB-CB 4.19Å; D66-D69 WeakPolarHBondContact CB-OD2 3.45Å; D66-D69 PolarHBondContact O-N 2.78Å; D66-D69 VanDerWaalsContact O-N 3.07Å; P67-D69 VanDerWaalsContact C-N 3.33Å; D69-I71 PolarHBondContact O-N 2.86Å |
| 70 | L | 76.7 | Confident | 82.9 | Confident | 100 Ų | 100 | 116.8 Ų | 116.8 | 52% | 0.524 | 65% | 0.648 | S | S | . | * | trans | -68.9 | 104.1 | 176.5 | -63.8 | 178 | 0 | 0 | 0 | 109.4 | P67 S68 P72 | P67-L70 HydrophobicContact CB-CD1 4.46Å; P67-L70 WeakPolarHBondContact O-CB 3.26Å; P67-L70 PolarHBondContact O-N 3.03Å; S68-L70 VanDerWaalsContact C-N 3.32Å; L70-P72 WeakPolarHBondContact O-CD 3.43Å; L70-P72 VanDerWaalsContact O-N 3.16Å | ||
| 71 | I | 79.1 | Confident | 83.3 | Confident | 160 Ų | 160 | 117.2 Ų | 117.2 | 82% | 0.821 | 65% | 0.645 | S | S | * | * | trans | -66.7 | 111.8 | 171.6 | -57.1 | 176 | 0 | 0 | 0 | 107.6 | D69 A73 | D69-I71 PolarHBondContact O-N 2.86Å; I71-A73 PolarHBondContact O-N 2.87Å | ||
| 72 | P | 74.2 | Confident | 83.6 | Confident | 113 Ų | 113 | 120.3 Ų | 120.3 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -63 | 132.2 | 179.2 | -18.8 | 32.9 | 0 | 0 | 0 | 109.1 | L70 R74 | L70-P72 WeakPolarHBondContact O-CD 3.43Å; L70-P72 VanDerWaalsContact O-N 3.16Å; P72-R74 PolarHBondContact O-N 2.84Å |
| 73 | A | 76 | Confident | 84.1 | Confident | 93 Ų | 93 | 115.1 Ų | 115.1 | 77% | 0.769 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 139 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | I71 | I71-A73 PolarHBondContact O-N 2.87Š|
| 74 | R | 80.9 | Confident | 84.7 | Confident | 223 Ų | 223 | 114.9 Ų | 114.9 | 84% | 0.842 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 134.6 | 173.8 | -70 | -176.3 | 179.8 | -173 | 0.2 | 108.6 | P72 V76 | P72-R74 PolarHBondContact O-N 2.84Å; R74-V76 WeakPolarHBondContact O-CG2 3.3Å; R74-V76 PolarHBondContact O-N 2.8Å |
| 75 | P | 78.1 | Confident | 85.3 | Confident | 135 Ų | 135 | 107.8 Ų | 107.8 | 88% | 0.877 | 59% | 0.585 | S | S | * | * | trans | -58.4 | 109.5 | 175.8 | -21.8 | 31.5 | 0 | 0 | 0 | 109.8 | ||||
| 76 | V | 80.3 | Confident | 86.2 | Confident | 132 Ų | 132 | 104.8 Ų | 104.8 | 80% | 0.8 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 127.2 | 173.7 | -175.4 | 0 | 0 | 0 | 0 | 107.3 | R74 S78 | R74-V76 WeakPolarHBondContact O-CG2 3.3Å; R74-V76 PolarHBondContact O-N 2.8Å; V76-S78 PolarHBondContact O-N 2.85Å |
| 77 | R | 84.2 | Confident | 86.9 | Confident | 227 Ų | 227 | 103.6 Ų | 103.6 | 86% | 0.857 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 127.7 | 173.2 | -66.6 | -176.7 | -179.7 | -170.1 | -0.1 | 108.4 | I79 | R77-I79 PolarHBondContact O-N 2.77Š|
| 78 | S | 85.1 | Confident | 87.8 | Confident | 84 Ų | 84 | 102.6 Ų | 102.6 | 59% | 0.587 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -63 | 121.7 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | V76 G80 | V76-S78 PolarHBondContact O-N 2.85Å; S78-G80 PolarHBondContact OG-N 3.39Å |
| 79 | I | 94.3 | Very high | 88.4 | Confident | 110 Ų | 110 | 101.5 Ų | 101.5 | 56% | 0.564 | 54% | 0.543 | S | S | * | . | trans | -92.4 | 0.6 | 175.1 | 61.8 | 164.5 | 0 | 0 | 0 | 112.2 | R77 N81 H82 S83 W87 | R77-I79 PolarHBondContact O-N 2.77Å; I79-N81 VanDerWaalsContact C-N 3.29Å; I79-N81 PolarHBondContact O-N 2.85Å; I79-H82 CarbonylContact O-C 3.57Å; I79-H82 PolarHBondContact O-N 3.43Å; I79-S83 PolarHBondContact O-N 2.83Å; I79-W87 HydrophobicContact CD1-CH2 4.07Å; I79-W87 HydrophobicContact CG1-CH2 3.71Å; I79-W87 HydrophobicContact CG1-CZ2 3.91Å | ||
| 80 | G | 95.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 100.6 Ų | 100.6 | 0% | 0 | 54% | 0.539 | C | S | . | . | G | 310 helix | trans | -58.1 | -37.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.2 | S78 H82 P86 | S78-G80 PolarHBondContact OG-N 3.39Å; G80-H82 VanDerWaalsContact C-N 3.31Å; G80-H82 PolarHBondContact O-N 3Å; G80-P86 VanDerWaalsContact O-CA 3.27Å; G80-P86 WeakPolarHBondContact O-CA 3.49Å; G80-P86 WeakPolarHBondContact O-CB 3.4Å |
| 81 | N | 94.6 | Very high | 90 | Very high | 138 Ų | 138 | 99.6 Ų | 99.6 | 74% | 0.738 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -76.7 | -17.2 | 177.5 | -66.7 | -10.1 | 0 | 0 | 0 | 113.6 | I79 | I79-N81 VanDerWaalsContact C-N 3.29Å; I79-N81 PolarHBondContact O-N 2.85Å |
| 82 | H | 94.7 | Very high | 90.8 | Very high | 168 Ų | 168 | 94.2 Ų | 94.2 | 78% | 0.778 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -99.5 | -4.5 | 178 | -59.2 | 152.8 | 0 | 0 | 0 | 112.6 | I79 G80 | I79-H82 CarbonylContact O-C 3.57Å; I79-H82 PolarHBondContact O-N 3.43Å; G80-H82 VanDerWaalsContact C-N 3.31Å; G80-H82 PolarHBondContact O-N 3Å |
| 83 | S | 97.3 | Very high | 91.9 | Very high | 24 Ų | 24 | 95.4 Ų | 95.4 | 17% | 0.168 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -73.5 | 143.3 | 176 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | I79 S85 W87 | I79-S83 PolarHBondContact O-N 2.83Å; S83-S85 PolarHBondContact O-N 2.87Å; S83-S85 PolarHBondContact OG-N 2.84Å; S83-S85 PolarHBondContact OG-O 2.82Å; S83-S85 PolarHBondContact OG-OG 3.19Å; S83-W87 VanDerWaalsContact CB-CZ3 3.47Å; S83-W87 WeakPolarHBondContact OG-CZ3 3.32Å |
| 84 | I | 98.1 | Very high | 92.9 | Very high | 96 Ų | 96 | 93 Ų | 93 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -67.4 | -21 | 168.3 | 61.6 | 169.5 | 0 | 0 | 0 | 112.2 | P86 C112 L113 C160 | I84-P86 VanDerWaalsContact C-CD 3.49Å; I84-P86 VanDerWaalsContact O-CD 3.3Å; I84-P86 WeakPolarHBondContact O-CD 3.44Å; I84-C112 CarbonylContact O-C 3.52Å; I84-C112 WeakPolarHBondContact O-CA 3.33Å; I84-L113 HydrophobicContact CB-CB 4.46Å; I84-L113 PolarHBondContact O-N 2.73Å; I84-C160 HydrophobicContact CD1-CB 3.82Å; I84-C160 HydrophobicContact CG1-CB 4.13Å |
| 85 | S | 98.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 89.8 Ų | 89.8 | 2% | 0.021 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -112.7 | 79.5 | 168.8 | 48.5 | 0 | 0 | 0 | 0 | 107.6 | S83 W87 S125 C158 T159 C160 | S83-S85 PolarHBondContact O-N 2.87Å; S83-S85 PolarHBondContact OG-N 2.84Å; S83-S85 PolarHBondContact OG-O 2.82Å; S83-S85 PolarHBondContact OG-OG 3.19Å; S85-W87 VanDerWaalsContact O-CE3 3.27Å; S85-S125 WeakPolarHBondContact CA-OG 3.38Å; S85-S125 WeakPolarHBondContact CB-OG 3.21Å; S85-C158 WeakPolarHBondContact O-CB 3.38Å; S85-C158 VanDerWaalsContact OG-C 3.3Å; S85-C158 PolarHBondContact OG-O 2.91Å; S85-T159 WeakPolarHBondContact OG-CA 3.46Å; S85-T159 PolarHBondContact OG-N 3.45Å; S85-C160 PolarHBondContact OG-N 2.97Å |
| 86 | P | 98 | Very high | 94.3 | Very high | 17 Ų | 17 | 85.7 Ų | 85.7 | 11% | 0.11 | 45% | 0.446 | C | S | . | . | trans | -68.1 | 156.8 | -171.4 | 28.2 | -35.4 | 0 | 0 | 0 | 112 | G80 I84 S108 L109 L113 | G80-P86 VanDerWaalsContact O-CA 3.27Å; G80-P86 WeakPolarHBondContact O-CA 3.49Å; G80-P86 WeakPolarHBondContact O-CB 3.4Å; I84-P86 VanDerWaalsContact C-CD 3.49Å; I84-P86 VanDerWaalsContact O-CD 3.3Å; I84-P86 WeakPolarHBondContact O-CD 3.44Å; P86-S108 PolarHBondContact O-N 2.78Å; P86-L109 HydrophobicContact CG-CD1 3.75Å; P86-L109 HydrophobicContact CG-CG 3.95Å; P86-L113 HydrophobicContact CG-CD1 4.27Å | ||
| 87 | W | 97.9 | Very high | 95 | Very high | 27 Ų | 27 | 80.4 Ų | 80.4 | 10% | 0.102 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 153.4 | 178.4 | 63.5 | 85.8 | 0 | 0 | 0 | 113 | I79 S83 S85 V105 K106 S108 C158 | I79-W87 HydrophobicContact CD1-CH2 4.07Å; I79-W87 HydrophobicContact CG1-CH2 3.71Å; I79-W87 HydrophobicContact CG1-CZ2 3.91Å; S83-W87 VanDerWaalsContact CB-CZ3 3.47Å; S83-W87 WeakPolarHBondContact OG-CZ3 3.32Å; S85-W87 VanDerWaalsContact O-CE3 3.27Å; W87-V105 HydrophobicContact CB-CB 4.12Å; W87-V105 HydrophobicContact CB-CG2 4.4Å; W87-V105 VanDerWaalsContact CD1-CG1 3.41Å; W87-V105 HydrophobicContact CG-CB 3.9Å; W87-V105 HydrophobicContact CG-CG1 4.21Å; W87-V105 HydrophobicContact CG-CG2 4.26Å; W87-K106 CarbonylContact C-O 3.55Å; W87-K106 WeakPolarHBondContact CA-O 3.3Å; W87-K106 VanDerWaalsContact CB-O 3.28Å; W87-K106 WeakPolarHBondContact CB-O 3.47Å; W87-S108 WeakPolarHBondContact CA-OG 3.49Å; W87-C158 HydrophobicContact CB-CB 4.38Å; W87-C158 HydrophobicContact CE3-CB 3.9Å; W87-C158 WeakPolarHBondContact CZ3-O 3.27Å |
| 88 | T | 96.5 | Very high | 95.4 | Very high | 82 Ų | 82 | 73.3 Ų | 73.3 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 155.3 | 165.9 | 54.2 | 0 | 0 | 0 | 0 | 109.9 | V105 K106 S108 | T88-V105 CarbonylContact O-C 3.6Å; T88-V105 VanDerWaalsContact O-CA 3.25Å; T88-V105 WeakPolarHBondContact O-CA 3.4Å; T88-K106 PolarHBondContact N-O 2.68Å; T88-K106 PolarHBondContact O-N 2.71Å; T88-S108 PolarHBondContact N-OG 2.97Å |
| 89 | T | 95.6 | Very high | 95.8 | Very high | 80 Ų | 80 | 71.9 Ų | 71.9 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134.5 | 176.6 | -56 | 0 | 0 | 0 | 0 | 109.4 | E104 | T89-E104 CarbonylContact C-O 3.55Å |
| 90 | N | 95.5 | Very high | 95.8 | Very high | 100 Ų | 100 | 69.9 Ų | 69.9 | 54% | 0.535 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 120 | 172.1 | -176.7 | 1.5 | 0 | 0 | 0 | 109 | S103 E104 | N90-S103 CarbonylContact O-C 3.53Å; N90-S103 WeakPolarHBondContact O-CA 3.1Å; N90-E104 PolarHBondContact N-O 2.92Å; N90-E104 PolarHBondContact O-N 2.77Å |
| 91 | T | 96.2 | Very high | 95.8 | Very high | 79 Ų | 79 | 73 Ų | 73 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.8 | -179.2 | -61.6 | 0 | 0 | 0 | 0 | 109.8 | T101 S103 | T91-T101 HydrophobicContact CG2-CG2 3.27Å; T91-S103 PolarHBondContact OG1-OG 2.83Å |
| 92 | T | 96.4 | Very high | 95.9 | Very high | 47 Ų | 47 | 66.9 Ų | 66.9 | 29% | 0.288 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.7 | 179.1 | 63.7 | 0 | 0 | 0 | 0 | 110.6 | T101 I102 | T92-T101 WeakPolarHBondContact O-CA 3.5Å; T92-I102 PolarHBondContact N-O 3.07Å; T92-I102 PolarHBondContact O-N 3.37Å; T92-I102 PolarHBondContact OG1-O 3.13Å |
| 93 | Y | 97.4 | Very high | 95.9 | Very high | 139 Ų | 139 | 61.8 Ų | 61.8 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.3 | 175.2 | -179.7 | -102 | 0 | 0 | 0 | 110.1 | E95 N100 | Y93-E95 HydrophobicContact CD1-CG 4.19Å; Y93-E95 HydrophobicContact CE1-CB 4.47Å; Y93-E95 HydrophobicContact CE1-CG 3.25Å; Y93-N100 WeakPolarHBondContact CA-O 3.42Å; Y93-N100 HydrophobicContact CD2-CB 4.1Å; Y93-N100 HydrophobicContact CE2-CB 3.72Å |
| 94 | D | 96.2 | Very high | 95.9 | Very high | 41 Ų | 41 | 63 Ų | 63 | 22% | 0.219 | 34% | 0.338 | C | S | . | . | trans | -145 | 107.7 | -179.8 | 176.3 | -6 | 0 | 0 | 0 | 109.4 | S96 R97 N100 R136 | D94-S96 PolarHBondContact O-N 2.99Å; D94-S96 WeakPolarHBondContact OD1-CA 3.46Å; D94-S96 PolarHBondContact OD1-N 3.1Å; D94-S96 PolarHBondContact OD1-OG 2.71Å; D94-R97 HydrophobicContact CB-CB 4Å; D94-R97 PolarHBondContact O-N 2.95Å; D94-R97 VanDerWaalsContact O-N 3.1Å; D94-R97 IonicContact OD2-NH1 3.2Å; D94-N100 PolarHBondContact N-O 3.31Å; D94-N100 WeakPolarHBondContact O-CA 3.34Å; D94-N100 WeakPolarHBondContact O-CB 3.28Å; D94-R136 IonicContact OD1-NH1 2.71Å; D94-R136 PolarHBondContact OD1-NH1 3.12Å; D94-R136 IonicContact OD2-CZ 2.78Å; D94-R136 IonicContact OD2-NH1 3.2Å; D94-R136 PolarHBondContact OD2-NH1 2.65Å; D94-R136 IonicContact OD2-NH2 3.64Å; D94-R136 PolarHBondContact OD2-NH2 2.59Å | ||
| 95 | E | 94.9 | Very high | 95.8 | Very high | 157 Ų | 157 | 59.3 Ų | 59.3 | 73% | 0.734 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.7 | -177.7 | -63.1 | -169.6 | 163 | 0 | 0 | 113.6 | Y93 R97 | Y93-E95 HydrophobicContact CD1-CG 4.19Å; Y93-E95 HydrophobicContact CE1-CB 4.47Å; Y93-E95 HydrophobicContact CE1-CG 3.25Å; E95-R97 VanDerWaalsContact C-N 3.26Å |
| 96 | S | 94.4 | Very high | 95.8 | Very high | 49 Ų | 49 | 66.2 Ų | 66.2 | 34% | 0.343 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 10.6 | 179.7 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | D94 R136 K137 | D94-S96 PolarHBondContact O-N 2.99Å; D94-S96 WeakPolarHBondContact OD1-CA 3.46Å; D94-S96 PolarHBondContact OD1-N 3.1Å; D94-S96 PolarHBondContact OD1-OG 2.71Å; S96-R136 WeakPolarHBondContact O-CD 3.43Å; S96-R136 PolarHBondContact O-NH1 2.02Å; S96-R136 PolarHBondContact OG-NH1 3.03Å; S96-K137 WeakPolarHBondContact O-CB 3.47Å; S96-K137 PolarHBondContact O-N 2.85Å |
| 97 | R | 94.7 | Very high | 95.8 | Very high | 21 Ų | 21 | 66.6 Ų | 66.6 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 148.5 | -178.9 | -162.8 | 176.3 | 55.3 | -144.5 | -0.8 | 112.5 | D94 E95 P99 N100 I102 V134 L135 R136 | D94-R97 HydrophobicContact CB-CB 4Å; D94-R97 PolarHBondContact O-N 2.95Å; D94-R97 VanDerWaalsContact O-N 3.1Å; D94-R97 IonicContact OD2-NH1 3.2Å; E95-R97 VanDerWaalsContact C-N 3.26Å; R97-P99 WeakPolarHBondContact CG-O 3.47Å; R97-P99 PolarHBondContact NE-O 3.21Å; R97-P99 CarbonylContact O-C 3.6Å; R97-N100 PolarHBondContact NH2-O 3Å; R97-N100 WeakPolarHBondContact O-CA 3.42Å; R97-N100 WeakPolarHBondContact O-CB 3.47Å; R97-N100 PolarHBondContact O-N 3.09Å; R97-I102 VanDerWaalsContact NE-CD1 3.31Å; R97-V134 HydrophobicContact CG-CB 3.95Å; R97-V134 HydrophobicContact CG-CG1 4.48Å; R97-V134 HydrophobicContact CG-CG2 4.34Å; R97-L135 CarbonylContact C-O 3.58Å; R97-L135 VanDerWaalsContact CA-O 3.28Å; R97-L135 WeakPolarHBondContact CA-O 3.41Å; R97-R136 VanDerWaalsContact CD-NH2 3.31Å |
| 98 | F | 92.3 | Very high | 95.8 | Very high | 78 Ų | 78 | 68.2 Ų | 68.2 | 34% | 0.342 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.9 | 158.5 | -176.8 | -88.2 | 0 | 0 | 0 | 110.7 | L65 V134 L135 | L65-F98 HydrophobicContact CD1-CD1 4.31Å; L65-F98 HydrophobicContact CD1-CD2 4.45Å; L65-F98 HydrophobicContact CD1-CE1 4.29Å; L65-F98 HydrophobicContact CD1-CE2 4.42Å; L65-F98 HydrophobicContact CD1-CG 4.38Å; L65-F98 HydrophobicContact CD1-CZ 4.34Å; L65-F98 HydrophobicContact CD2-CE1 4.31Å; F98-V134 WeakPolarHBondContact O-CA 3.49Å; F98-L135 HydrophobicContact CB-CB 4.18Å; F98-L135 HydrophobicContact CB-CD1 4.5Å; F98-L135 HydrophobicContact CD1-CD1 4.12Å; F98-L135 PolarHBondContact N-O 2.93Å; F98-L135 PolarHBondContact O-N 3.4Å |
| 99 | P | 92.5 | Very high | 95.8 | Very high | 53 Ų | 53 | 66.7 Ų | 66.7 | 34% | 0.344 | 36% | 0.357 | S | S | . | . | S | Bend | cis | -64 | 142.9 | -10.1 | 29.1 | -34.6 | 0 | 0 | 0 | 111 | R97 T101 I102 | R97-P99 WeakPolarHBondContact CG-O 3.47Å; R97-P99 PolarHBondContact NE-O 3.21Å; R97-P99 CarbonylContact O-C 3.6Å; P99-T101 VanDerWaalsContact C-N 3.33Å; P99-I102 HydrophobicContact CG-CG1 4.19Å |
| 100 | N | 95 | Very high | 95.9 | Very high | 69 Ų | 69 | 69.4 Ų | 69.4 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -67.8 | -37 | -179.2 | 46.6 | 14.9 | 0 | 0 | 0 | 111.1 | Y93 D94 R97 | Y93-N100 WeakPolarHBondContact CA-O 3.42Å; Y93-N100 HydrophobicContact CD2-CB 4.1Å; Y93-N100 HydrophobicContact CE2-CB 3.72Å; D94-N100 PolarHBondContact N-O 3.31Å; D94-N100 WeakPolarHBondContact O-CA 3.34Å; D94-N100 WeakPolarHBondContact O-CB 3.28Å; R97-N100 PolarHBondContact NH2-O 3Å; R97-N100 WeakPolarHBondContact O-CA 3.42Å; R97-N100 WeakPolarHBondContact O-CB 3.47Å; R97-N100 PolarHBondContact O-N 3.09Å |
| 101 | T | 95.1 | Very high | 96 | Very high | 65 Ų | 65 | 64.7 Ų | 64.7 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 127.3 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | T91 T92 P99 | T91-T101 HydrophobicContact CG2-CG2 3.27Å; T92-T101 WeakPolarHBondContact O-CA 3.5Å; P99-T101 VanDerWaalsContact C-N 3.33Å |
| 102 | I | 96.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 61 Ų | 61 | 5% | 0.051 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131 | 171.8 | -66.8 | 178.8 | 0 | 0 | 0 | 108.8 | T92 R97 P99 E104 I132 V134 K152 I154 | T92-I102 PolarHBondContact N-O 3.07Å; T92-I102 PolarHBondContact O-N 3.37Å; T92-I102 PolarHBondContact OG1-O 3.13Å; R97-I102 VanDerWaalsContact NE-CD1 3.31Å; P99-I102 HydrophobicContact CG-CG1 4.19Å; I102-E104 HydrophobicContact CG2-CG 4.15Å; I102-I132 HydrophobicContact CD1-CD1 3.75Å; I102-I132 HydrophobicContact CG1-CD1 4.46Å; I102-I132 HydrophobicContact CG2-CD1 4.5Å; I102-V134 HydrophobicContact CD1-CG1 3.84Å; I102-K152 HydrophobicContact CD1-CD 3.98Å; I102-I154 HydrophobicContact CG2-CG2 3.88Å |
| 103 | S | 95.2 | Very high | 96.3 | Very high | 60 Ų | 60 | 61.3 Ų | 61.3 | 42% | 0.42 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.1 | 173.9 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | N90 T91 | N90-S103 CarbonylContact O-C 3.53Å; N90-S103 WeakPolarHBondContact O-CA 3.1Å; T91-S103 PolarHBondContact OG1-OG 2.83Å |
| 104 | E | 96.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 57.7 Ų | 57.7 | 23% | 0.229 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 151.6 | 174.4 | -55 | -167.5 | -132.5 | 0 | 0 | 109.4 | T89 N90 I102 K152 I154 A155 | T89-E104 CarbonylContact C-O 3.55Å; N90-E104 PolarHBondContact N-O 2.92Å; N90-E104 PolarHBondContact O-N 2.77Å; I102-E104 HydrophobicContact CG2-CG 4.15Å; E104-K152 WeakPolarHBondContact OE1-CE 3.43Å; E104-K152 IonicContact OE1-NZ 2.99Å; E104-K152 PolarHBondContact OE1-NZ 2.92Å; E104-K152 IonicContact OE2-NZ 2.78Å; E104-I154 HydrophobicContact CG-CB 3.97Å; E104-I154 HydrophobicContact CG-CG2 3.9Å; E104-I154 WeakPolarHBondContact OE2-CA 3.42Å; E104-A155 WeakPolarHBondContact CA-O 3.34Å |
| 105 | V | 96.7 | Very high | 96.3 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 152.8 | 178.5 | -49.7 | 0 | 0 | 0 | 0 | 112.3 | W87 T88 A155 G157 | W87-V105 HydrophobicContact CB-CB 4.12Å; W87-V105 HydrophobicContact CB-CG2 4.4Å; W87-V105 VanDerWaalsContact CD1-CG1 3.41Å; W87-V105 HydrophobicContact CG-CB 3.9Å; W87-V105 HydrophobicContact CG-CG1 4.21Å; W87-V105 HydrophobicContact CG-CG2 4.26Å; T88-V105 CarbonylContact O-C 3.6Å; T88-V105 VanDerWaalsContact O-CA 3.25Å; T88-V105 WeakPolarHBondContact O-CA 3.4Å; V105-A155 HydrophobicContact CG2-CB 3.93Å; V105-A155 PolarHBondContact N-O 3.43Å; V105-A155 VanDerWaalsContact O-CB 3.31Å; V105-A155 WeakPolarHBondContact O-CB 3.26Å; V105-G157 VanDerWaalsContact CG2-N 3.26Å |
| 106 | K | 97.8 | Very high | 96.4 | Very high | 149 Ų | 149 | 59.4 Ų | 59.4 | 65% | 0.648 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.2 | 170.6 | -176.8 | 178.8 | 177.5 | -179.1 | 0 | 109.4 | W87 T88 S108 | W87-K106 CarbonylContact C-O 3.55Å; W87-K106 WeakPolarHBondContact CA-O 3.3Å; W87-K106 VanDerWaalsContact CB-O 3.28Å; W87-K106 WeakPolarHBondContact CB-O 3.47Å; T88-K106 PolarHBondContact N-O 2.68Å; T88-K106 PolarHBondContact O-N 2.71Å; K106-S108 PolarHBondContact O-N 2.79Å |
| 107 | C | 98.2 | Very high | 96.4 | Very high | 24 Ų | 24 | 59.5 Ų | 59.5 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 132.9 | 176.1 | -46.5 | 0 | 0 | 0 | 0 | 109.6 | C158 | C107-C158 WeakPolarHBondContact CA-SG 3.37Å; C107-C158 HydrophobicContact CB-CB 3.97Å; C107-C158 WeakPolarHBondContact CB-SG 3.35Å; C107-C158 PolarHBondContact N-SG 2.73Å; C107-C158 WeakPolarHBondContact SG-CB 3.19Å; C107-C158 CovalentContact SG-SG 2.04Å; C107-C158 PolarHBondContact SG-SG 2.73Å |
| 108 | S | 97.8 | Very high | 96.6 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 43% | 0.434 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -84.8 | -19.4 | -175.2 | -55 | 0 | 0 | 0 | 0 | 112.8 | P86 W87 T88 K106 | P86-S108 PolarHBondContact O-N 2.78Å; W87-S108 WeakPolarHBondContact CA-OG 3.49Å; T88-S108 PolarHBondContact N-OG 2.97Å; K106-S108 PolarHBondContact O-N 2.79Å |
| 109 | L | 97.9 | Very high | 96.9 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | trans | -124.2 | 158.2 | -179.1 | -62 | 179.6 | 0 | 0 | 0 | 110.1 | P86 G111 L113 S125 | P86-L109 HydrophobicContact CG-CD1 3.75Å; P86-L109 HydrophobicContact CG-CG 3.95Å; L109-G111 WeakPolarHBondContact CB-O 3.15Å; L109-L113 HydrophobicContact CD1-CD2 3.58Å; L109-L113 HydrophobicContact CD1-CG 3.79Å; L109-S125 VanDerWaalsContact O-CB 3.26Å; L109-S125 WeakPolarHBondContact O-CB 2.95Å | ||
| 110 | E | 97.7 | Very high | 97.1 | Very high | 138 Ų | 138 | 64.9 Ų | 64.9 | 65% | 0.645 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -84.9 | -42.5 | 170.4 | -68.6 | 178.2 | 167.8 | 0 | 0 | 109.9 | E119 R121 E124 S125 | E110-E119 PolarHBondContact N-OE1 2.89Å; E110-E119 VanDerWaalsContact N-OE1 3.09Å; E110-R121 IonicContact OE2-CZ 3.89Å; E110-R121 IonicContact OE2-NH1 3.49Å; E110-R121 PolarHBondContact OE2-NH1 2.93Å; E110-R121 IonicContact OE2-NH2 3.95Å; E110-E124 CarbonylContact O-C 3.6Å; E110-E124 WeakPolarHBondContact O-CA 3.44Å; E110-S125 PolarHBondContact O-N 2.96Å |
| 111 | G | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -91.4 | -160.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L109 E119 D120 L123 S125 | L109-G111 WeakPolarHBondContact CB-O 3.15Å; G111-E119 PolarHBondContact N-OE1 2.85Å; G111-D120 WeakPolarHBondContact CA-O 3.49Å; G111-L123 WeakPolarHBondContact CA-O 3.22Å; G111-S125 WeakPolarHBondContact O-CB 3.27Å; G111-S125 PolarHBondContact O-OG 3.2Å |
| 112 | C | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 155 | 177.3 | -49.7 | 0 | 0 | 0 | 0 | 111.3 | I84 E119 D120 L123 C160 | I84-C112 CarbonylContact O-C 3.52Å; I84-C112 WeakPolarHBondContact O-CA 3.33Å; C112-E119 CarbonylContact O-C 3.47Å; C112-E119 WeakPolarHBondContact O-CA 3.4Å; C112-D120 PolarHBondContact N-O 3.21Å; C112-D120 PolarHBondContact O-N 3.23Å; C112-L123 HydrophobicContact CB-CB 4.25Å; C112-L123 HydrophobicContact CB-CD1 4.37Å; C112-C160 HydrophobicContact CB-CB 3.94Å; C112-C160 WeakPolarHBondContact CB-SG 3.48Å; C112-C160 VanDerWaalsContact SG-CA 3.51Å; C112-C160 WeakPolarHBondContact SG-CB 3.46Å; C112-C160 CovalentContact SG-SG 2.02Å; C112-C160 PolarHBondContact SG-SG 3.1Å |
| 113 | L | 98.5 | Very high | 97.3 | Very high | 53 Ų | 53 | 71.7 Ų | 71.7 | 28% | 0.277 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 129.6 | 174 | -62.2 | 175.7 | 0 | 0 | 0 | 110.8 | I84 P86 L109 K118 | I84-L113 HydrophobicContact CB-CB 4.46Å; I84-L113 PolarHBondContact O-N 2.73Å; P86-L113 HydrophobicContact CG-CD1 4.27Å; L109-L113 HydrophobicContact CD1-CD2 3.58Å; L109-L113 HydrophobicContact CD1-CG 3.79Å; L113-K118 WeakPolarHBondContact CA-O 3.31Å |
| 114 | N | 97.3 | Very high | 97.4 | Very high | 64 Ų | 64 | 71.6 Ų | 71.6 | 34% | 0.342 | 39% | 0.387 | S | S | . | . | trans | -83.2 | 179.9 | 168.2 | 67.1 | 26.7 | 0 | 0 | 0 | 111.7 | A116 G117 K118 | N114-A116 PolarHBondContact O-N 2.86Å; N114-A116 VanDerWaalsContact O-N 3.1Å; N114-A116 WeakPolarHBondContact OD1-CA 3.46Å; N114-A116 WeakPolarHBondContact OD1-CB 3.42Å; N114-A116 PolarHBondContact OD1-N 2.85Å; N114-G117 PolarHBondContact O-N 3.43Å; N114-G117 PolarHBondContact OD1-N 2.87Å; N114-K118 VanDerWaalsContact CG-O 3.23Å; N114-K118 PolarHBondContact N-O 3.43Å; N114-K118 PolarHBondContact ND2-O 3.03Å; N114-K118 PolarHBondContact OD1-N 2.9Å; N114-K118 PolarHBondContact OD1-O 3.49Å | ||
| 115 | V | 96.6 | Very high | 97.5 | Very high | 161 Ų | 161 | 69.8 Ų | 69.8 | 98% | 0.976 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.2 | -179.8 | -62.3 | 0 | 0 | 0 | 0 | 114.4 | G117 | V115-G117 VanDerWaalsContact C-N 3.33Š|
| 116 | A | 96.9 | Very high | 97.6 | Very high | 73 Ų | 73 | 73 Ų | 73 | 60% | 0.603 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 2.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N114 K118 | N114-A116 PolarHBondContact O-N 2.86Å; N114-A116 VanDerWaalsContact O-N 3.1Å; N114-A116 WeakPolarHBondContact OD1-CA 3.46Å; N114-A116 WeakPolarHBondContact OD1-CB 3.42Å; N114-A116 PolarHBondContact OD1-N 2.85Å; A116-K118 VanDerWaalsContact C-N 3.3Å; A116-K118 PolarHBondContact O-N 3.3Å |
| 117 | G | 96.2 | Very high | 97.6 | Very high | 51 Ų | 51 | 67.7 Ų | 67.7 | 53% | 0.526 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 73.1 | 18.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N114 V115 | N114-G117 PolarHBondContact O-N 3.43Å; N114-G117 PolarHBondContact OD1-N 2.87Å; V115-G117 VanDerWaalsContact C-N 3.33Å |
| 118 | K | 97.7 | Very high | 97.6 | Very high | 146 Ų | 146 | 70.5 Ų | 70.5 | 64% | 0.635 | 39% | 0.385 | S | S | * | . | trans | -97.2 | 145.6 | 174.9 | -62.7 | -174.9 | 179.7 | -176.7 | 0 | 110.4 | L113 N114 A116 D120 | L113-K118 WeakPolarHBondContact CA-O 3.31Å; N114-K118 VanDerWaalsContact CG-O 3.23Å; N114-K118 PolarHBondContact N-O 3.43Å; N114-K118 PolarHBondContact ND2-O 3.03Å; N114-K118 PolarHBondContact OD1-N 2.9Å; N114-K118 PolarHBondContact OD1-O 3.49Å; A116-K118 VanDerWaalsContact C-N 3.3Å; A116-K118 PolarHBondContact O-N 3.3Å; K118-D120 PolarHBondContact O-N 2.04Å | ||
| 119 | E | 98.1 | Very high | 97.6 | Very high | 64 Ų | 64 | 74.9 Ų | 74.9 | 30% | 0.299 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 120.7 | 174.2 | -171.9 | -177.3 | -145.1 | 0 | 0 | 110.3 | E110 G111 C112 R121 | E110-E119 PolarHBondContact N-OE1 2.89Å; E110-E119 VanDerWaalsContact N-OE1 3.09Å; G111-E119 PolarHBondContact N-OE1 2.85Å; C112-E119 CarbonylContact O-C 3.47Å; C112-E119 WeakPolarHBondContact O-CA 3.4Å; E119-R121 HydrophobicContact CG-CG 4.15Å; E119-R121 IonicContact OE2-CZ 3.51Å; E119-R121 IonicContact OE2-NE 3.08Å; E119-R121 PolarHBondContact OE2-NE 2.93Å; E119-R121 VanDerWaalsContact OE2-NE 3.08Å; E119-R121 IonicContact OE2-NH2 3.03Å; E119-R121 PolarHBondContact OE2-NH2 2.75Å |
| 120 | D | 97.7 | Very high | 97.6 | Very high | 54 Ų | 54 | 77.7 Ų | 77.7 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 112.6 | 168.4 | -179.9 | 2.3 | 0 | 0 | 0 | 108.9 | G111 C112 K118 S122 | G111-D120 WeakPolarHBondContact CA-O 3.49Å; C112-D120 PolarHBondContact N-O 3.21Å; C112-D120 PolarHBondContact O-N 3.23Å; K118-D120 PolarHBondContact O-N 2.04Å; D120-S122 VanDerWaalsContact C-N 3.34Å; D120-S122 VanDerWaalsContact OD1-CB 3.27Å; D120-S122 WeakPolarHBondContact OD1-CB 3.5Å; D120-S122 PolarHBondContact OD1-N 2.84Å; D120-S122 PolarHBondContact OD1-OG 2.79Å; D120-S122 PolarHBondContact OD2-OG 3.25Å; D120-S122 VanDerWaalsContact OD2-OG 3.12Å |
| 121 | R | 96.6 | Very high | 97.6 | Very high | 166 Ų | 166 | 76.9 Ų | 76.9 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 4.1 | -179 | -64 | -176.7 | 173.1 | -136.9 | -10.4 | 113.5 | E110 E119 | E110-R121 IonicContact OE2-CZ 3.89Å; E110-R121 IonicContact OE2-NH1 3.49Å; E110-R121 PolarHBondContact OE2-NH1 2.93Å; E110-R121 IonicContact OE2-NH2 3.95Å; E119-R121 HydrophobicContact CG-CG 4.15Å; E119-R121 IonicContact OE2-CZ 3.51Å; E119-R121 IonicContact OE2-NE 3.08Å; E119-R121 PolarHBondContact OE2-NE 2.93Å; E119-R121 VanDerWaalsContact OE2-NE 3.08Å; E119-R121 IonicContact OE2-NH2 3.03Å; E119-R121 PolarHBondContact OE2-NH2 2.75Å |
| 122 | S | 95.6 | Very high | 97.5 | Very high | 74 Ų | 74 | 78.7 Ų | 78.7 | 52% | 0.517 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -9.6 | 166.8 | 73.7 | 0 | 0 | 0 | 0 | 112.6 | D120 P163 | D120-S122 VanDerWaalsContact C-N 3.34Å; D120-S122 VanDerWaalsContact OD1-CB 3.27Å; D120-S122 WeakPolarHBondContact OD1-CB 3.5Å; D120-S122 PolarHBondContact OD1-N 2.84Å; D120-S122 PolarHBondContact OD1-OG 2.79Å; D120-S122 PolarHBondContact OD2-OG 3.25Å; D120-S122 VanDerWaalsContact OD2-OG 3.12Å; S122-P163 WeakPolarHBondContact O-CD 3.44Å; S122-P163 VanDerWaalsContact O-CG 3.28Å; S122-P163 WeakPolarHBondContact O-CG 3.43Å |
| 123 | L | 97.3 | Very high | 97.4 | Very high | 48 Ų | 48 | 83.9 Ų | 83.9 | 25% | 0.251 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -117.9 | 167 | 173.7 | -59.6 | 172.3 | 0 | 0 | 0 | 109.6 | G111 C112 V161 R162 | G111-L123 WeakPolarHBondContact CA-O 3.22Å; C112-L123 HydrophobicContact CB-CB 4.25Å; C112-L123 HydrophobicContact CB-CD1 4.37Å; L123-V161 WeakPolarHBondContact CA-O 3.3Å; L123-R162 HydrophobicContact CD2-CG 4.05Å |
| 124 | E | 98.1 | Very high | 97.3 | Very high | 58 Ų | 58 | 81.6 Ų | 81.6 | 27% | 0.271 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.6 | 178.7 | -58 | -174.4 | 109.5 | 0 | 0 | 111.6 | E110 K126 C160 V161 P163 | E110-E124 CarbonylContact O-C 3.6Å; E110-E124 WeakPolarHBondContact O-CA 3.44Å; E124-K126 HydrophobicContact CB-CD 4.36Å; E124-K126 HydrophobicContact CB-CG 4.27Å; E124-K126 PolarHBondContact O-N 2.82Å; E124-K126 IonicContact OE1-NZ 4Å; E124-K126 PolarHBondContact OE1-NZ 2.78Å; E124-K126 WeakPolarHBondContact OE2-CE 3.42Å; E124-K126 IonicContact OE2-NZ 3.8Å; E124-K126 PolarHBondContact OE2-NZ 2.85Å; E124-C160 WeakPolarHBondContact O-CA 3.27Å; E124-V161 HydrophobicContact CB-CG2 4.04Å; E124-V161 PolarHBondContact N-O 3.34Å; E124-V161 PolarHBondContact O-N 2.88Å; E124-P163 HydrophobicContact CG-CG 4.21Å |
| 125 | S | 98.4 | Very high | 97.2 | Very high | 11 Ų | 11 | 79.9 Ų | 79.9 | 8% | 0.077 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 114.7 | 163.7 | -81.5 | 0 | 0 | 0 | 0 | 109.5 | S85 L109 E110 G111 T159 | S85-S125 WeakPolarHBondContact CA-OG 3.38Å; S85-S125 WeakPolarHBondContact CB-OG 3.21Å; L109-S125 VanDerWaalsContact O-CB 3.26Å; L109-S125 WeakPolarHBondContact O-CB 2.95Å; E110-S125 PolarHBondContact O-N 2.96Å; G111-S125 WeakPolarHBondContact O-CB 3.27Å; G111-S125 PolarHBondContact O-OG 3.2Å; S125-T159 WeakPolarHBondContact CA-O 3.47Å |
| 126 | K | 98.2 | Very high | 97.2 | Very high | 85 Ų | 85 | 74.1 Ų | 74.1 | 37% | 0.37 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.6 | 177.6 | -63 | -61.8 | -172 | -163.1 | 0 | 111.5 | E124 C158 T159 V161 | E124-K126 HydrophobicContact CB-CD 4.36Å; E124-K126 HydrophobicContact CB-CG 4.27Å; E124-K126 PolarHBondContact O-N 2.82Å; E124-K126 IonicContact OE1-NZ 4Å; E124-K126 PolarHBondContact OE1-NZ 2.78Å; E124-K126 WeakPolarHBondContact OE2-CE 3.42Å; E124-K126 IonicContact OE2-NZ 3.8Å; E124-K126 PolarHBondContact OE2-NZ 2.85Å; K126-C158 CarbonylContact O-C 3.52Å; K126-C158 VanDerWaalsContact O-CA 3.31Å; K126-C158 WeakPolarHBondContact O-CA 3.45Å; K126-T159 PolarHBondContact N-O 3.08Å; K126-T159 PolarHBondContact O-N 3.03Å; K126-V161 HydrophobicContact CB-CG2 4.37Å; K126-V161 HydrophobicContact CG-CG2 3.59Å |
| 127 | P | 98.1 | Very high | 97 | Very high | 39 Ų | 39 | 74.5 Ų | 74.5 | 25% | 0.253 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 142.3 | 174.5 | 29.1 | -34.1 | 0 | 0 | 0 | 110.8 | Y129 A155 G157 | P127-Y129 HydrophobicContact CB-CE1 4.32Å; P127-Y129 HydrophobicContact CB-CE2 4.36Å; P127-Y129 HydrophobicContact CG-CE1 4.22Å; P127-Y129 HydrophobicContact CG-CE2 3.71Å; P127-Y129 VanDerWaalsContact CG-CZ 3.48Å; P127-Y129 VanDerWaalsContact CG-OH 3.27Å; P127-Y129 WeakPolarHBondContact CG-OH 3.31Å; P127-A155 HydrophobicContact CB-CB 4.03Å; P127-G157 CarbonylContact C-O 3.57Å; P127-G157 WeakPolarHBondContact CA-O 3.28Å |
| 128 | I | 98.3 | Very high | 96.7 | Very high | 82 Ų | 82 | 73.5 Ų | 73.5 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 120.1 | 167 | -56.1 | 175.4 | 0 | 0 | 0 | 107.4 | A155 V156 G157 T159 | I128-A155 WeakPolarHBondContact O-CA 3.44Å; I128-V156 HydrophobicContact CB-CG2 4.37Å; I128-V156 HydrophobicContact CG2-CG2 4.2Å; I128-V156 PolarHBondContact O-N 3.19Å; I128-G157 PolarHBondContact N-O 2.94Å; I128-T159 HydrophobicContact CD1-CG2 4.32Å; I128-T159 HydrophobicContact CG1-CG2 3.9Å |
| 129 | Y | 98.3 | Very high | 96.2 | Very high | 154 Ų | 154 | 73 Ų | 73 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 143 | 178.8 | -65.4 | -68.8 | 0 | 0 | 0 | 112 | P127 I153 I154 A155 | P127-Y129 HydrophobicContact CB-CE1 4.32Å; P127-Y129 HydrophobicContact CB-CE2 4.36Å; P127-Y129 HydrophobicContact CG-CE1 4.22Å; P127-Y129 HydrophobicContact CG-CE2 3.71Å; P127-Y129 VanDerWaalsContact CG-CZ 3.48Å; P127-Y129 VanDerWaalsContact CG-OH 3.27Å; P127-Y129 WeakPolarHBondContact CG-OH 3.31Å; Y129-I153 HydrophobicContact CD1-CG2 3.74Å; Y129-I153 HydrophobicContact CG-CG2 4.02Å; Y129-I154 CarbonylContact C-O 3.53Å; Y129-I154 WeakPolarHBondContact CA-O 3.41Å; Y129-A155 HydrophobicContact CD1-CB 4.25Å; Y129-A155 HydrophobicContact CE1-CB 4.16Å |
| 130 | H | 97.5 | Very high | 95.3 | Very high | 109 Ų | 109 | 70.8 Ų | 70.8 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140.6 | 171.7 | -171.4 | 63.9 | 0 | 0 | 0 | 109.9 | I153 I154 V156 | H130-I153 WeakPolarHBondContact O-CA 3.12Å; H130-I154 PolarHBondContact N-O 3.31Å; H130-I154 WeakPolarHBondContact O-CG1 3.06Å; H130-I154 PolarHBondContact O-N 3.22Å; H130-V156 HydrophobicContact CB-CG1 3.79Å; H130-V156 HydrophobicContact CB-CG2 4.21Å |
| 131 | Q | 97.9 | Very high | 94.5 | Very high | 121 Ų | 121 | 71.7 Ų | 71.7 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.3 | 174.7 | -176.7 | 178.2 | -56 | 0 | 0 | 109.6 | A151 K152 | Q131-A151 HydrophobicContact CG-CB 3.99Å; Q131-K152 WeakPolarHBondContact CA-O 3.22Å |
| 132 | I | 96.7 | Very high | 93.7 | Very high | 38 Ų | 38 | 72.4 Ų | 72.4 | 20% | 0.195 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 159.5 | 174.5 | 60.1 | 163.9 | 0 | 0 | 0 | 110.7 | I102 V134 A151 K152 I154 | I102-I132 HydrophobicContact CD1-CD1 3.75Å; I102-I132 HydrophobicContact CG1-CD1 4.46Å; I102-I132 HydrophobicContact CG2-CD1 4.5Å; I132-V134 HydrophobicContact CD1-CG1 3.95Å; I132-V134 HydrophobicContact CG1-CG1 4.27Å; I132-A151 WeakPolarHBondContact O-CA 3.5Å; I132-K152 HydrophobicContact CG1-CB 4.16Å; I132-K152 WeakPolarHBondContact CG1-O 2.95Å; I132-K152 PolarHBondContact N-O 3.23Å; I132-K152 PolarHBondContact O-N 3.48Å; I132-I154 HydrophobicContact CD1-CD1 4.05Å; I132-I154 HydrophobicContact CD1-CG1 4.48Å; I132-I154 HydrophobicContact CD1-CG2 4.05Å; I132-I154 HydrophobicContact CG1-CD1 4.37Å; I132-I154 HydrophobicContact CG1-CG1 4.39Å; I132-I154 HydrophobicContact CG1-CG2 4.27Å; I132-I154 HydrophobicContact CG2-CD1 3.89Å; I132-I154 HydrophobicContact CG2-CG1 4.2Å |
| 133 | L | 96.4 | Very high | 92.5 | Very high | 111 Ų | 111 | 75.6 Ų | 75.6 | 58% | 0.581 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 136.7 | 170.6 | -65.8 | 177.2 | 0 | 0 | 0 | 110 | L149 E150 | L133-L149 HydrophobicContact CB-CD1 4.02Å; L133-L149 HydrophobicContact CD1-CD1 4.4Å; L133-L149 HydrophobicContact CD1-CD2 4.48Å; L133-L149 HydrophobicContact CD2-CD1 4.33Å; L133-L149 HydrophobicContact CD2-CD2 4.44Å; L133-L149 HydrophobicContact CD2-CG 4.31Å; L133-L149 HydrophobicContact CG-CD1 4.48Å; L133-E150 WeakPolarHBondContact CA-O 3.06Å |
| 134 | V | 96.3 | Very high | 91.8 | Very high | 5 Ų | 5 | 81.8 Ų | 81.8 | 3% | 0.03 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 152 | 176.1 | -56.6 | 0 | 0 | 0 | 0 | 109.7 | R97 F98 I102 I132 E150 K152 | R97-V134 HydrophobicContact CG-CB 3.95Å; R97-V134 HydrophobicContact CG-CG1 4.48Å; R97-V134 HydrophobicContact CG-CG2 4.34Å; F98-V134 WeakPolarHBondContact O-CA 3.49Å; I102-V134 HydrophobicContact CD1-CG1 3.84Å; I132-V134 HydrophobicContact CD1-CG1 3.95Å; I132-V134 HydrophobicContact CG1-CG1 4.27Å; V134-E150 HydrophobicContact CG2-CB 3.84Å; V134-E150 PolarHBondContact N-O 3.04Å; V134-E150 PolarHBondContact O-N 3.38Å; V134-K152 HydrophobicContact CG1-CB 4.23Å; V134-K152 HydrophobicContact CG2-CB 4.37Å |
| 135 | L | 94.9 | Very high | 91.2 | Very high | 27 Ų | 27 | 84.7 Ų | 84.7 | 14% | 0.141 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.1 | 174.2 | -58.5 | 171.3 | 0 | 0 | 0 | 109.3 | L63 L65 R97 F98 Y147 R148 L149 | L63-L135 HydrophobicContact CD2-CD1 3.34Å; L65-L135 HydrophobicContact CD1-CD1 4.38Å; R97-L135 CarbonylContact C-O 3.58Å; R97-L135 VanDerWaalsContact CA-O 3.28Å; R97-L135 WeakPolarHBondContact CA-O 3.41Å; F98-L135 HydrophobicContact CB-CB 4.18Å; F98-L135 HydrophobicContact CB-CD1 4.5Å; F98-L135 HydrophobicContact CD1-CD1 4.12Å; F98-L135 PolarHBondContact N-O 2.93Å; F98-L135 PolarHBondContact O-N 3.4Å; L135-Y147 HydrophobicContact CB-CD1 3.73Å; L135-Y147 HydrophobicContact CB-CG 4.23Å; L135-R148 CarbonylContact C-O 3.55Å; L135-R148 WeakPolarHBondContact CA-O 3.28Å; L135-L149 HydrophobicContact CD2-CB 4.43Å; L135-L149 HydrophobicContact CD2-CD1 3.71Å |
| 136 | R | 95.6 | Very high | 90.6 | Very high | 41 Ų | 41 | 88.6 Ų | 88.6 | 16% | 0.155 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.8 | 176.7 | -178.1 | 54.8 | 40.8 | -167 | -1.3 | 110.6 | D94 S96 R97 V138 Y147 R148 E150 | D94-R136 IonicContact OD1-NH1 2.71Å; D94-R136 PolarHBondContact OD1-NH1 3.12Å; D94-R136 IonicContact OD2-CZ 2.78Å; D94-R136 IonicContact OD2-NH1 3.2Å; D94-R136 PolarHBondContact OD2-NH1 2.65Å; D94-R136 IonicContact OD2-NH2 3.64Å; D94-R136 PolarHBondContact OD2-NH2 2.59Å; S96-R136 WeakPolarHBondContact O-CD 3.43Å; S96-R136 PolarHBondContact O-NH1 2.02Å; S96-R136 PolarHBondContact OG-NH1 3.03Å; R97-R136 VanDerWaalsContact CD-NH2 3.31Å; R136-V138 HydrophobicContact CG-CG2 4.18Å; R136-V138 PolarHBondContact O-N 3.06Å; R136-Y147 CarbonylContact O-C 3.57Å; R136-Y147 VanDerWaalsContact O-CA 3.3Å; R136-Y147 WeakPolarHBondContact O-CA 3.05Å; R136-R148 HydrophobicContact CB-CB 4.41Å; R136-R148 PolarHBondContact N-O 3.38Å; R136-R148 PolarHBondContact O-N 3.09Å; R136-E150 VanDerWaalsContact CB-CD 3.41Å; R136-E150 HydrophobicContact CB-CG 4.19Å; R136-E150 VanDerWaalsContact CB-OE1 3.32Å; R136-E150 WeakPolarHBondContact CB-OE1 3.4Å; R136-E150 WeakPolarHBondContact CB-OE2 2.98Å; R136-E150 WeakPolarHBondContact CG-OE1 3.48Å; R136-E150 IonicContact NE-OE2 2.73Å |
| 137 | K | 92.9 | Very high | 90.3 | Very high | 81 Ų | 81 | 90.3 Ų | 90.3 | 35% | 0.352 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 120.1 | 171.4 | -171.7 | 178.5 | 178.2 | -178.2 | 0 | 108.9 | S96 Y145 Y147 | S96-K137 WeakPolarHBondContact O-CB 3.47Å; S96-K137 PolarHBondContact O-N 2.85Å; K137-Y145 HydrophobicContact CD-CD1 4.21Å; K137-Y145 HydrophobicContact CD-CG 4.29Å; K137-Y145 HydrophobicContact CG-CD1 3.93Å; K137-Y145 HydrophobicContact CG-CG 4.1Å; K137-Y147 HydrophobicContact CB-CD1 4.37Å; K137-Y147 HydrophobicContact CB-CE1 3.94Å; K137-Y147 HydrophobicContact CG-CE1 4.48Å |
| 138 | V | 90.9 | Very high | 90 | Very high | 30 Ų | 30 | 94.3 Ų | 94.3 | 18% | 0.182 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134.1 | 177.9 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | R136 G140 Y145 Y146 R148 | R136-V138 HydrophobicContact CG-CG2 4.18Å; R136-V138 PolarHBondContact O-N 3.06Å; V138-G140 PolarHBondContact O-N 2.85Å; V138-Y145 VanDerWaalsContact O-CA 3.3Å; V138-Y145 WeakPolarHBondContact O-CA 3.25Å; V138-Y146 HydrophobicContact CB-CD1 4.47Å; V138-Y146 HydrophobicContact CB-CD2 4.23Å; V138-Y146 HydrophobicContact CB-CE1 4.07Å; V138-Y146 HydrophobicContact CB-CE2 3.78Å; V138-Y146 HydrophobicContact CG1-CE1 3.92Å; V138-Y146 HydrophobicContact CG1-CE2 4.11Å; V138-Y146 WeakPolarHBondContact CG1-OH 3.36Å; V138-Y146 HydrophobicContact CG2-CE2 4.13Å; V138-Y146 PolarHBondContact N-O 2.88Å; V138-Y146 PolarHBondContact O-N 2.89Å; V138-R148 HydrophobicContact CG2-CB 4.04Å |
| 139 | M | 87.1 | Confident | 89.8 | Confident | 134 Ų | 134 | 95.7 Ų | 95.7 | 66% | 0.66 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 121.2 | 175 | -169.1 | 164.7 | 66.5 | 0 | 0 | 109.6 | Y145 | M139-Y145 HydrophobicContact CB-CD1 4.11Å; M139-Y145 HydrophobicContact CB-CE1 3.9Å; M139-Y145 HydrophobicContact CG-CD1 4.38Å; M139-Y145 HydrophobicContact CG-CE1 3.89Å; M139-Y145 HydrophobicContact SD-CE1 4.38Å |
| 140 | G | 78.5 | Confident | 89.7 | Confident | 19 Ų | 19 | 91.6 Ų | 91.6 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | trans | -97.3 | -173.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V138 R144 | V138-G140 PolarHBondContact O-N 2.85Å; G140-R144 VanDerWaalsContact CA-O 3.26Å; G140-R144 WeakPolarHBondContact CA-O 3.41Å; G140-R144 PolarHBondContact N-O 2.89Å | ||
| 141 | S | 80.4 | Confident | 89.7 | Confident | 72 Ų | 72 | 89.4 Ų | 89.4 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -67.2 | 144.2 | 174.7 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 142 | K | 80 | Confident | 89.6 | Confident | 182 Ų | 182 | 86.1 Ų | 86.1 | 79% | 0.791 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 47.4 | 173 | -51.1 | -179.3 | 177.9 | -174.6 | 0 | 114.6 | R144 | K142-R144 PolarHBondContact O-N 3.4Š|
| 143 | D | 71.7 | Confident | 89.7 | Confident | 140 Ų | 140 | 89.3 Ų | 89.3 | 75% | 0.749 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 19.8 | 177.3 | -62.3 | -24.9 | 0 | 0 | 0 | 115.7 | ||
| 144 | R | 82 | Confident | 89.8 | Confident | 179 Ų | 179 | 84.8 Ų | 84.8 | 68% | 0.675 | 40% | 0.403 | S | S | * | . | trans | -95.1 | 140.7 | 172.3 | -58.1 | -167.4 | -51.1 | 167.8 | 9.7 | 109.5 | G140 K142 | G140-R144 VanDerWaalsContact CA-O 3.26Å; G140-R144 WeakPolarHBondContact CA-O 3.41Å; G140-R144 PolarHBondContact N-O 2.89Å; K142-R144 PolarHBondContact O-N 3.4Å | ||
| 145 | Y | 84.4 | Confident | 89.8 | Confident | 119 Ų | 119 | 84.8 Ų | 84.8 | 47% | 0.467 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 147 | 173.8 | -56.3 | -87.2 | 0 | 0 | 0 | 109.9 | K137 V138 M139 | K137-Y145 HydrophobicContact CD-CD1 4.21Å; K137-Y145 HydrophobicContact CD-CG 4.29Å; K137-Y145 HydrophobicContact CG-CD1 3.93Å; K137-Y145 HydrophobicContact CG-CG 4.1Å; V138-Y145 VanDerWaalsContact O-CA 3.3Å; V138-Y145 WeakPolarHBondContact O-CA 3.25Å; M139-Y145 HydrophobicContact CB-CD1 4.11Å; M139-Y145 HydrophobicContact CB-CE1 3.9Å; M139-Y145 HydrophobicContact CG-CD1 4.38Å; M139-Y145 HydrophobicContact CG-CE1 3.89Å; M139-Y145 HydrophobicContact SD-CE1 4.38Å |
| 146 | Y | 87.5 | Confident | 89.9 | Confident | 93 Ų | 93 | 87 Ų | 87 | 37% | 0.365 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 162.2 | 166.1 | 64.6 | -90.6 | 0 | 0 | 0 | 109.3 | V138 R148 | V138-Y146 HydrophobicContact CB-CD1 4.47Å; V138-Y146 HydrophobicContact CB-CD2 4.23Å; V138-Y146 HydrophobicContact CB-CE1 4.07Å; V138-Y146 HydrophobicContact CB-CE2 3.78Å; V138-Y146 HydrophobicContact CG1-CE1 3.92Å; V138-Y146 HydrophobicContact CG1-CE2 4.11Å; V138-Y146 WeakPolarHBondContact CG1-OH 3.36Å; V138-Y146 HydrophobicContact CG2-CE2 4.13Å; V138-Y146 PolarHBondContact N-O 2.88Å; V138-Y146 PolarHBondContact O-N 2.89Å; Y146-R148 PolarHBondContact OH-NH2 3.49Å |
| 147 | Y | 90.7 | Very high | 90 | Very high | 121 Ų | 121 | 85.3 Ų | 85.3 | 48% | 0.475 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.6 | 174.9 | -72.6 | -82 | 0 | 0 | 0 | 110.4 | L135 R136 K137 | L135-Y147 HydrophobicContact CB-CD1 3.73Å; L135-Y147 HydrophobicContact CB-CG 4.23Å; R136-Y147 CarbonylContact O-C 3.57Å; R136-Y147 VanDerWaalsContact O-CA 3.3Å; R136-Y147 WeakPolarHBondContact O-CA 3.05Å; K137-Y147 HydrophobicContact CB-CD1 4.37Å; K137-Y147 HydrophobicContact CB-CE1 3.94Å; K137-Y147 HydrophobicContact CG-CE1 4.48Å |
| 148 | R | 92.6 | Very high | 90.3 | Very high | 123 Ų | 123 | 81.9 Ų | 81.9 | 46% | 0.464 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.1 | 170.3 | -176.4 | -179.4 | -58.7 | -178.7 | 2.9 | 108.9 | L135 R136 V138 Y146 E150 | L135-R148 CarbonylContact C-O 3.55Å; L135-R148 WeakPolarHBondContact CA-O 3.28Å; R136-R148 HydrophobicContact CB-CB 4.41Å; R136-R148 PolarHBondContact N-O 3.38Å; R136-R148 PolarHBondContact O-N 3.09Å; V138-R148 HydrophobicContact CG2-CB 4.04Å; Y146-R148 PolarHBondContact OH-NH2 3.49Å; R148-E150 HydrophobicContact CG-CG 4.41Å |
| 149 | L | 94.4 | Very high | 90.6 | Very high | 111 Ų | 111 | 83.3 Ų | 83.3 | 58% | 0.581 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 128.5 | 172.9 | -171.5 | 67 | 0 | 0 | 0 | 109.6 | L133 L135 | L133-L149 HydrophobicContact CB-CD1 4.02Å; L133-L149 HydrophobicContact CD1-CD1 4.4Å; L133-L149 HydrophobicContact CD1-CD2 4.48Å; L133-L149 HydrophobicContact CD2-CD1 4.33Å; L133-L149 HydrophobicContact CD2-CD2 4.44Å; L133-L149 HydrophobicContact CD2-CG 4.31Å; L133-L149 HydrophobicContact CG-CD1 4.48Å; L135-L149 HydrophobicContact CD2-CB 4.43Å; L135-L149 HydrophobicContact CD2-CD1 3.71Å |
| 150 | E | 95.6 | Very high | 91.1 | Very high | 68 Ų | 68 | 78.3 Ų | 78.3 | 32% | 0.318 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148.3 | 179.9 | -66.7 | 177.9 | 174.1 | 0 | 0 | 110.2 | L133 V134 R136 R148 | L133-E150 WeakPolarHBondContact CA-O 3.06Å; V134-E150 HydrophobicContact CG2-CB 3.84Å; V134-E150 PolarHBondContact N-O 3.04Å; V134-E150 PolarHBondContact O-N 3.38Å; R136-E150 VanDerWaalsContact CB-CD 3.41Å; R136-E150 HydrophobicContact CB-CG 4.19Å; R136-E150 VanDerWaalsContact CB-OE1 3.32Å; R136-E150 WeakPolarHBondContact CB-OE1 3.4Å; R136-E150 WeakPolarHBondContact CB-OE2 2.98Å; R136-E150 WeakPolarHBondContact CG-OE1 3.48Å; R136-E150 IonicContact NE-OE2 2.73Å; R148-E150 HydrophobicContact CG-CG 4.41Å |
| 151 | A | 96.9 | Very high | 92.1 | Very high | 62 Ų | 62 | 79.9 Ų | 79.9 | 51% | 0.512 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 133.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q131 I132 | Q131-A151 HydrophobicContact CG-CB 3.99Å; I132-A151 WeakPolarHBondContact O-CA 3.5Å |
| 152 | K | 96.7 | Very high | 92.8 | Very high | 52 Ų | 52 | 86.8 Ų | 86.8 | 23% | 0.226 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.2 | 173.1 | 176.2 | 169.4 | 163.2 | 52.4 | 0 | 109.7 | I102 E104 Q131 I132 V134 I154 | I102-K152 HydrophobicContact CD1-CD 3.98Å; E104-K152 WeakPolarHBondContact OE1-CE 3.43Å; E104-K152 IonicContact OE1-NZ 2.99Å; E104-K152 PolarHBondContact OE1-NZ 2.92Å; E104-K152 IonicContact OE2-NZ 2.78Å; Q131-K152 WeakPolarHBondContact CA-O 3.22Å; I132-K152 HydrophobicContact CG1-CB 4.16Å; I132-K152 WeakPolarHBondContact CG1-O 2.95Å; I132-K152 PolarHBondContact N-O 3.23Å; I132-K152 PolarHBondContact O-N 3.48Å; V134-K152 HydrophobicContact CG1-CB 4.23Å; V134-K152 HydrophobicContact CG2-CB 4.37Å; K152-I154 HydrophobicContact CD-CG2 4.24Å; K152-I154 HydrophobicContact CG-CG2 3.99Å |
| 153 | I | 97.8 | Very high | 93.4 | Very high | 105 Ų | 105 | 80.8 Ų | 80.8 | 54% | 0.538 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 132.8 | 169.7 | -59.9 | 174.9 | 0 | 0 | 0 | 108 | Y129 H130 | Y129-I153 HydrophobicContact CD1-CG2 3.74Å; Y129-I153 HydrophobicContact CG-CG2 4.02Å; H130-I153 WeakPolarHBondContact O-CA 3.12Å |
| 154 | I | 97.8 | Very high | 94.1 | Very high | 16 Ų | 16 | 79 Ų | 79 | 8% | 0.082 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 148.5 | 175.5 | 59.8 | 166.3 | 0 | 0 | 0 | 110.5 | I102 E104 Y129 H130 I132 K152 V156 | I102-I154 HydrophobicContact CG2-CG2 3.88Å; E104-I154 HydrophobicContact CG-CB 3.97Å; E104-I154 HydrophobicContact CG-CG2 3.9Å; E104-I154 WeakPolarHBondContact OE2-CA 3.42Å; Y129-I154 CarbonylContact C-O 3.53Å; Y129-I154 WeakPolarHBondContact CA-O 3.41Å; H130-I154 PolarHBondContact N-O 3.31Å; H130-I154 WeakPolarHBondContact O-CG1 3.06Å; H130-I154 PolarHBondContact O-N 3.22Å; I132-I154 HydrophobicContact CD1-CD1 4.05Å; I132-I154 HydrophobicContact CD1-CG1 4.48Å; I132-I154 HydrophobicContact CD1-CG2 4.05Å; I132-I154 HydrophobicContact CG1-CD1 4.37Å; I132-I154 HydrophobicContact CG1-CG1 4.39Å; I132-I154 HydrophobicContact CG1-CG2 4.27Å; I132-I154 HydrophobicContact CG2-CD1 3.89Å; I132-I154 HydrophobicContact CG2-CG1 4.2Å; K152-I154 HydrophobicContact CD-CG2 4.24Å; K152-I154 HydrophobicContact CG-CG2 3.99Å; I154-V156 HydrophobicContact CD1-CG1 3.76Å; I154-V156 HydrophobicContact CG1-CG1 3.87Å |
| 155 | A | 98 | Very high | 94 | Very high | 6 Ų | 6 | 77.1 Ų | 77.1 | 5% | 0.05 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | E104 V105 P127 I128 Y129 | E104-A155 WeakPolarHBondContact CA-O 3.34Å; V105-A155 HydrophobicContact CG2-CB 3.93Å; V105-A155 PolarHBondContact N-O 3.43Å; V105-A155 VanDerWaalsContact O-CB 3.31Å; V105-A155 WeakPolarHBondContact O-CB 3.26Å; P127-A155 HydrophobicContact CB-CB 4.03Å; I128-A155 WeakPolarHBondContact O-CA 3.44Å; Y129-A155 HydrophobicContact CD1-CB 4.25Å; Y129-A155 HydrophobicContact CE1-CB 4.16Å |
| 156 | V | 96.6 | Very high | 93.6 | Very high | 72 Ų | 72 | 79.8 Ų | 79.8 | 44% | 0.436 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -14.9 | -175.6 | -63.2 | 0 | 0 | 0 | 0 | 114.1 | I128 H130 I154 | I128-V156 HydrophobicContact CB-CG2 4.37Å; I128-V156 HydrophobicContact CG2-CG2 4.2Å; I128-V156 PolarHBondContact O-N 3.19Å; H130-V156 HydrophobicContact CB-CG1 3.79Å; H130-V156 HydrophobicContact CB-CG2 4.21Å; I154-V156 HydrophobicContact CD1-CG1 3.76Å; I154-V156 HydrophobicContact CG1-CG1 3.87Å |
| 157 | G | 97.3 | Very high | 92.7 | Very high | 7 Ų | 7 | 83.2 Ų | 83.2 | 7% | 0.072 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 173 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V105 P127 I128 | V105-G157 VanDerWaalsContact CG2-N 3.26Å; P127-G157 CarbonylContact C-O 3.57Å; P127-G157 WeakPolarHBondContact CA-O 3.28Å; I128-G157 PolarHBondContact N-O 2.94Å |
| 158 | C | 98.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 86.8 Ų | 86.8 | 5% | 0.054 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 145.5 | 164.9 | -65.4 | 0 | 0 | 0 | 0 | 109.7 | S85 W87 C107 K126 | S85-C158 WeakPolarHBondContact O-CB 3.38Å; S85-C158 VanDerWaalsContact OG-C 3.3Å; S85-C158 PolarHBondContact OG-O 2.91Å; W87-C158 HydrophobicContact CB-CB 4.38Å; W87-C158 HydrophobicContact CE3-CB 3.9Å; W87-C158 WeakPolarHBondContact CZ3-O 3.27Å; C107-C158 WeakPolarHBondContact CA-SG 3.37Å; C107-C158 HydrophobicContact CB-CB 3.97Å; C107-C158 WeakPolarHBondContact CB-SG 3.35Å; C107-C158 PolarHBondContact N-SG 2.73Å; C107-C158 WeakPolarHBondContact SG-CB 3.19Å; C107-C158 CovalentContact SG-SG 2.04Å; C107-C158 PolarHBondContact SG-SG 2.73Å; K126-C158 CarbonylContact O-C 3.52Å; K126-C158 VanDerWaalsContact O-CA 3.31Å; K126-C158 WeakPolarHBondContact O-CA 3.45Å |
| 159 | T | 98.4 | Very high | 89.6 | Confident | 60 Ų | 60 | 93.4 Ų | 93.4 | 37% | 0.368 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 161.6 | 175.1 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | S85 S125 K126 I128 V161 | S85-T159 WeakPolarHBondContact OG-CA 3.46Å; S85-T159 PolarHBondContact OG-N 3.45Å; S125-T159 WeakPolarHBondContact CA-O 3.47Å; K126-T159 PolarHBondContact N-O 3.08Å; K126-T159 PolarHBondContact O-N 3.03Å; I128-T159 HydrophobicContact CD1-CG2 4.32Å; I128-T159 HydrophobicContact CG1-CG2 3.9Å; T159-V161 HydrophobicContact CG2-CG1 3.99Å |
| 160 | C | 98.3 | Very high | 89.4 | Confident | 30 Ų | 30 | 92.6 Ų | 92.6 | 20% | 0.203 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.6 | 176.5 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | I84 S85 C112 E124 | I84-C160 HydrophobicContact CD1-CB 3.82Å; I84-C160 HydrophobicContact CG1-CB 4.13Å; S85-C160 PolarHBondContact OG-N 2.97Å; C112-C160 HydrophobicContact CB-CB 3.94Å; C112-C160 WeakPolarHBondContact CB-SG 3.48Å; C112-C160 VanDerWaalsContact SG-CA 3.51Å; C112-C160 WeakPolarHBondContact SG-CB 3.46Å; C112-C160 CovalentContact SG-SG 2.02Å; C112-C160 PolarHBondContact SG-SG 3.1Å; E124-C160 WeakPolarHBondContact O-CA 3.27Å |
| 161 | V | 97.8 | Very high | 89 | Confident | 52 Ų | 52 | 93.8 Ų | 93.8 | 32% | 0.315 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 163.4 | -178.4 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | L123 E124 K126 T159 | L123-V161 WeakPolarHBondContact CA-O 3.3Å; E124-V161 HydrophobicContact CB-CG2 4.04Å; E124-V161 PolarHBondContact N-O 3.34Å; E124-V161 PolarHBondContact O-N 2.88Å; K126-V161 HydrophobicContact CB-CG2 4.37Å; K126-V161 HydrophobicContact CG-CG2 3.59Å; T159-V161 HydrophobicContact CG2-CG1 3.99Å |
| 162 | R | 96.7 | Very high | 88.6 | Confident | 216 Ų | 216 | 95.6 Ų | 95.6 | 82% | 0.815 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 144.7 | 167.4 | -66.1 | 178.8 | -178.7 | 162.4 | 0.4 | 109.4 | L123 | L123-R162 HydrophobicContact CD2-CG 4.05Š|
| 163 | P | 92.3 | Very high | 88.1 | Confident | 56 Ų | 56 | 98.2 Ų | 98.2 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 147.1 | 172.6 | -21.8 | 31.4 | 0 | 0 | 0 | 111.3 | S122 E124 I165 | S122-P163 WeakPolarHBondContact O-CD 3.44Å; S122-P163 VanDerWaalsContact O-CG 3.28Å; S122-P163 WeakPolarHBondContact O-CG 3.43Å; E124-P163 HydrophobicContact CG-CG 4.21Å; P163-I165 PolarHBondContact O-N 3.02Å |
| 164 | S | 85.3 | Confident | 87.5 | Confident | 104 Ų | 104 | 97.8 Ų | 97.8 | 73% | 0.727 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 118.6 | 171.4 | 52.4 | 0 | 0 | 0 | 0 | 109.8 | E166 | S164-E166 PolarHBondContact O-N 3.26Š|
| 165 | I | 79.8 | Confident | 86.8 | Confident | 139 Ų | 139 | 103.2 Ų | 103.2 | 71% | 0.713 | 52% | 0.523 | S | S | * | . | trans | -86.9 | 104.4 | 169 | -55.6 | 171.7 | 0 | 0 | 0 | 106.1 | P163 H167 | P163-I165 PolarHBondContact O-N 3.02Å; I165-H167 PolarHBondContact O-N 3.48Å | ||
| 166 | E | 76.4 | Confident | 86 | Confident | 174 Ų | 174 | 110.1 Ų | 110.1 | 81% | 0.813 | 56% | 0.556 | S | S | * | * | trans | -71.9 | 108.7 | 164.9 | -65.9 | -143.6 | 165.7 | 0 | 0 | 107.7 | S164 Q168 | S164-E166 PolarHBondContact O-N 3.26Å; E166-Q168 PolarHBondContact O-N 3.33Å; E166-Q168 VanDerWaalsContact O-N 3.09Å | ||
| 167 | H | 68.6 | Low | 85.2 | Confident | 165 Ų | 165 | 113.1 Ų | 113.1 | 76% | 0.764 | 57% | 0.566 | S | S | * | * | trans | -65 | 109.8 | 167.1 | -79.3 | -71.9 | 0 | 0 | 0 | 107.6 | I165 Q169 | I165-H167 PolarHBondContact O-N 3.48Å; H167-Q169 PolarHBondContact O-N 3.47Å | ||
| 168 | Q | 66.8 | Low | 84.2 | Confident | 197 Ų | 197 | 121.9 Ų | 121.9 | 92% | 0.921 | 61% | 0.607 | S | S | * | * | trans | -62.8 | 105.3 | 166.2 | -70.4 | -177.6 | -44.1 | 0 | 0 | 107.5 | E166 | E166-Q168 PolarHBondContact O-N 3.33Å; E166-Q168 VanDerWaalsContact O-N 3.09Å | ||
| 169 | Q | 51.8 | Low | 82.9 | Confident | 262 Ų | 262 | 132.3 Ų | 132.3 | 100% | 1.224 | 66% | 0.657 | S | S | * | * | trans | -83.2 | 0 | 166.8 | -75.7 | -176.3 | -58.1 | 0 | 0 | 110.3 | H167 | H167-Q169 PolarHBondContact O-N 3.47Š|
Retrieved 169 of 169 residues in 58.3 ms
(Link to these results)