| 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 | 38.2 | Very low | 48.3 | Very low | 249 Ų | 249 | 173.3 Ų | 173.3 | 100% | 1.227 | 83% | 0.829 | S | S | * | * | 0 | 127.4 | 0 | -64 | -176 | -175.7 | 0 | 0 | 107 | |||||
| 2 | A | 43.4 | Very low | 47.9 | Very low | 87 Ų | 87 | 164.1 Ų | 164.1 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | cis | -157.9 | 131.3 | -15 | 0 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 3 | E | 54.1 | Low | 48 | Very low | 188 Ų | 188 | 165.7 Ų | 165.7 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -75.1 | 121.5 | 172.4 | -168.2 | 177.3 | -179.6 | 0 | 0 | 107.5 | ||||
| 4 | Q | 54.5 | Low | 47.8 | Very low | 183 Ų | 183 | 166.3 Ų | 166.3 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -115.9 | 102.4 | 170.8 | -83.7 | -178.4 | 11.4 | 0 | 0 | 109.4 | ||||
| 5 | R | 57.6 | Low | 47.4 | Very low | 210 Ų | 210 | 163.5 Ų | 163.5 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -53.3 | 142.1 | 152.4 | -72.8 | 175 | 167.4 | -176.8 | -6.5 | 110.4 | ||||
| 6 | Q | 51.8 | Low | 47.4 | Very low | 188 Ų | 188 | 157.6 Ų | 157.6 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -151.2 | 84.9 | 143.9 | -117.7 | 163.5 | 12.5 | 0 | 0 | 109.5 | ||||
| 7 | D | 48.6 | Very low | 47 | Very low | 120 Ų | 120 | 156.2 Ų | 156.2 | 64% | 0.642 | 81% | 0.808 | S | S | * | * | 42.5 | 98.1 | 124.8 | -53.8 | -18.6 | 0 | 0 | 0 | 118.6 | Y9 | D7-Y9 PolarHBondContact O-N 3.38Š| |||
| 8 | M | 43.3 | Very low | 47.2 | Very low | 159 Ų | 159 | 155.4 Ų | 155.4 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -34.4 | 104.5 | 146.9 | -167.3 | -167.5 | 84.7 | 0 | 0 | 113.4 | I10 | M8-I10 HydrophobicContact CE-CD1 4.16Å; M8-I10 HydrophobicContact CG-CD1 4.05Å; M8-I10 HydrophobicContact CG-CG1 4.03Å; M8-I10 HydrophobicContact SD-CD1 3.98Å | ||
| 9 | Y | 40.5 | Very low | 47.4 | Very low | 212 Ų | 212 | 157.3 Ų | 157.3 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -93.7 | 103.9 | 157.8 | -96.7 | -98.3 | 0 | 0 | 0 | 108.3 | D7 | D7-Y9 PolarHBondContact O-N 3.38Š| ||
| 10 | I | 49 | Very low | 47.6 | Very low | 129 Ų | 129 | 156.5 Ų | 156.5 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | trans | -105.7 | 108.9 | 160.2 | -66.4 | 173.3 | 0 | 0 | 0 | 105 | M8 G12 | M8-I10 HydrophobicContact CE-CD1 4.16Å; M8-I10 HydrophobicContact CG-CD1 4.05Å; M8-I10 HydrophobicContact CG-CG1 4.03Å; M8-I10 HydrophobicContact SD-CD1 3.98Å; I10-G12 VanDerWaalsContact C-N 3.33Å; I10-G12 PolarHBondContact O-N 3.26Å | ||
| 11 | E | 50.2 | Low | 48 | Very low | 181 Ų | 181 | 156.5 Ų | 156.5 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -68.1 | 95.1 | 167.7 | -68.7 | -177.7 | 162.6 | 0 | 0 | 107.6 | E13 | E11-E13 PolarHBondContact O-N 3.26Š| ||
| 12 | G | 43.1 | Very low | 49.2 | Very low | 63 Ų | 63 | 148.7 Ų | 148.7 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | trans | -76.7 | 112.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109 | I10 L14 | I10-G12 VanDerWaalsContact C-N 3.33Å; I10-G12 PolarHBondContact O-N 3.26Å; G12-L14 PolarHBondContact O-N 3.45Å | ||
| 13 | E | 49.9 | Very low | 50.4 | Low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | trans | -51.2 | 122.3 | 165.8 | -67.8 | -179.6 | 148.9 | 0 | 0 | 109.5 | E11 T15 | E11-E13 PolarHBondContact O-N 3.26Å; E13-T15 VanDerWaalsContact C-N 3.31Å; E13-T15 PolarHBondContact O-N 2.9Å | ||
| 14 | L | 44.5 | Very low | 50.6 | Low | 174 Ų | 174 | 146.8 Ų | 146.8 | 91% | 0.911 | 74% | 0.736 | S | S | * | * | trans | -64.6 | 92.3 | 169.5 | -78.6 | 155.8 | 0 | 0 | 0 | 108 | G12 G16 | G12-L14 PolarHBondContact O-N 3.45Å; L14-G16 PolarHBondContact O-N 3Å; L14-G16 VanDerWaalsContact O-N 3.07Å | ||
| 15 | T | 42.6 | Very low | 50.7 | Low | 125 Ų | 125 | 143.6 Ų | 143.6 | 77% | 0.767 | 73% | 0.725 | S | S | * | * | trans | -59.3 | 111.3 | 164.1 | 47.9 | 0 | 0 | 0 | 0 | 107.3 | E13 D17 | E13-T15 VanDerWaalsContact C-N 3.31Å; E13-T15 PolarHBondContact O-N 2.9Å; T15-D17 PolarHBondContact O-N 3.07Å | ||
| 16 | G | 46.8 | Very low | 51.4 | Low | 69 Ų | 69 | 139.6 Ų | 139.6 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | trans | -51.7 | 127.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | L14 H18 | L14-G16 PolarHBondContact O-N 3Å; L14-G16 VanDerWaalsContact O-N 3.07Å; G16-H18 VanDerWaalsContact C-N 3.25Å; G16-H18 PolarHBondContact O-N 3.26Å | ||
| 17 | D | 41 | Very low | 52.5 | Low | 133 Ų | 133 | 133.1 Ų | 133.1 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | trans | -59.6 | 93.5 | 169.9 | -66.7 | -46 | 0 | 0 | 0 | 108 | T15 Y19 | T15-D17 PolarHBondContact O-N 3.07Å; D17-Y19 HydrophobicContact CB-CD2 3.7Å; D17-Y19 HydrophobicContact CB-CE2 3.59Å; D17-Y19 PolarHBondContact O-N 3.27Å | ||
| 18 | H | 49.8 | Very low | 53.8 | Low | 143 Ų | 143 | 132.2 Ų | 132.2 | 66% | 0.662 | 69% | 0.688 | S | S | * | * | trans | -71.3 | 84 | 160.6 | -163.3 | -22.8 | 0 | 0 | 0 | 105.3 | G16 M20 | G16-H18 VanDerWaalsContact C-N 3.25Å; G16-H18 PolarHBondContact O-N 3.26Å; H18-M20 PolarHBondContact CE1-SD 3.41Å; H18-M20 WeakPolarHBondContact NE2-CE 3.36Å; H18-M20 PolarHBondContact O-N 2.79Å | ||
| 19 | Y | 52.2 | Low | 55.5 | Low | 191 Ų | 191 | 131.7 Ų | 131.7 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | trans | -57.9 | 89 | 160.9 | -79.5 | -92.4 | 0 | 0 | 0 | 106.1 | D17 E21 | D17-Y19 HydrophobicContact CB-CD2 3.7Å; D17-Y19 HydrophobicContact CB-CE2 3.59Å; D17-Y19 PolarHBondContact O-N 3.27Å; Y19-E21 VanDerWaalsContact C-N 3.31Å; Y19-E21 PolarHBondContact O-N 2.76Å | ||
| 20 | M | 51.3 | Low | 57.6 | Low | 140 Ų | 140 | 123.9 Ų | 123.9 | 69% | 0.69 | 66% | 0.661 | S | S | * | * | trans | -64.1 | 103.4 | 161.6 | -69.5 | -70.3 | -174.1 | 0 | 0 | 104.2 | H18 D22 | H18-M20 PolarHBondContact CE1-SD 3.41Å; H18-M20 WeakPolarHBondContact NE2-CE 3.36Å; H18-M20 PolarHBondContact O-N 2.79Å; M20-D22 VanDerWaalsContact C-N 3.35Å; M20-D22 PolarHBondContact O-N 2.9Å | ||
| 21 | E | 55.1 | Low | 59 | Low | 158 Ų | 158 | 127 Ų | 127 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | trans | -53.2 | 106 | 166.4 | -82 | 168.9 | 147.9 | 0 | 0 | 106.5 | Y19 P23 | Y19-E21 VanDerWaalsContact C-N 3.31Å; Y19-E21 PolarHBondContact O-N 2.76Å; E21-P23 WeakPolarHBondContact O-CD 3.39Å | ||
| 22 | D | 63.9 | Low | 60.7 | Low | 85 Ų | 85 | 121.5 Ų | 121.5 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | trans | -59.6 | 120.6 | -179.4 | -151.9 | -21.3 | 0 | 0 | 0 | 106.6 | M20 E24 L25 E26 | M20-D22 VanDerWaalsContact C-N 3.35Å; M20-D22 PolarHBondContact O-N 2.9Å; D22-E24 PolarHBondContact O-N 3.05Å; D22-L25 HydrophobicContact CB-CB 4.31Å; D22-L25 HydrophobicContact CB-CD1 3.8Å; D22-L25 HydrophobicContact CB-CG 4.25Å; D22-L25 WeakPolarHBondContact O-CA 3.4Å; D22-L25 WeakPolarHBondContact O-CB 3.18Å; D22-L25 PolarHBondContact O-N 2.9Å; D22-E26 PolarHBondContact O-N 3.41Å | ||
| 23 | P | 69.4 | Low | 62.6 | Low | 94 Ų | 94 | 123.5 Ų | 123.5 | 61% | 0.61 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -57.6 | -21 | -175.7 | 19.7 | -32.8 | 0 | 0 | 0 | 112.7 | E21 A27 | E21-P23 WeakPolarHBondContact O-CD 3.39Å; P23-A27 WeakPolarHBondContact O-CB 3.47Å; P23-A27 PolarHBondContact O-N 2.91Å; P23-A27 VanDerWaalsContact O-N 3.09Å |
| 24 | E | 57.3 | Low | 64.3 | Low | 140 Ų | 140 | 121 Ų | 121 | 65% | 0.654 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.1 | -37.3 | 170.1 | -72.8 | -167 | 154.3 | 0 | 0 | 113.5 | D22 A27 I28 | D22-E24 PolarHBondContact O-N 3.05Å; E24-A27 PolarHBondContact O-N 3.45Å; E24-I28 WeakPolarHBondContact O-CB 3.38Å; E24-I28 WeakPolarHBondContact O-CD1 3.38Å; E24-I28 WeakPolarHBondContact O-CG1 3.46Å; E24-I28 PolarHBondContact O-N 3.29Å |
| 25 | L | 56.8 | Low | 65.8 | Low | 116 Ų | 116 | 118 Ų | 118 | 61% | 0.607 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.6 | -37.8 | 176.1 | -82.8 | 160.3 | 0 | 0 | 0 | 111.3 | D22 I28 K29 | D22-L25 HydrophobicContact CB-CB 4.31Å; D22-L25 HydrophobicContact CB-CD1 3.8Å; D22-L25 HydrophobicContact CB-CG 4.25Å; D22-L25 WeakPolarHBondContact O-CA 3.4Å; D22-L25 WeakPolarHBondContact O-CB 3.18Å; D22-L25 PolarHBondContact O-N 2.9Å; L25-I28 PolarHBondContact O-N 2.78Å; L25-K29 VanDerWaalsContact O-CB 3.23Å; L25-K29 WeakPolarHBondContact O-CB 3.35Å; L25-K29 PolarHBondContact O-N 2.97Å |
| 26 | E | 72.3 | Confident | 67.8 | Low | 126 Ų | 126 | 117.3 Ų | 117.3 | 59% | 0.589 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.3 | -40.6 | 175.1 | -163.4 | 173.5 | -167.2 | 0 | 0 | 111.4 | D22 I28 K29 A30 | D22-E26 PolarHBondContact O-N 3.41Å; E26-I28 PolarHBondContact O-N 3.09Å; E26-K29 PolarHBondContact O-N 3.29Å; E26-A30 WeakPolarHBondContact O-CB 3.33Å; E26-A30 PolarHBondContact O-N 2.87Å |
| 27 | A | 76.1 | Confident | 69.6 | Low | 53 Ų | 53 | 119 Ų | 119 | 44% | 0.438 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.8 | -39.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P23 E24 R31 | P23-A27 WeakPolarHBondContact O-CB 3.47Å; P23-A27 PolarHBondContact O-N 2.91Å; P23-A27 VanDerWaalsContact O-N 3.09Å; E24-A27 PolarHBondContact O-N 3.45Å; A27-R31 WeakPolarHBondContact O-CG 3.23Å; A27-R31 PolarHBondContact O-N 3.34Å; A27-R31 VanDerWaalsContact O-N 3.14Å |
| 28 | I | 74.6 | Confident | 71.4 | Confident | 100 Ų | 100 | 119.1 Ų | 119.1 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.1 | -42.5 | 176 | -68.9 | 162.7 | 0 | 0 | 0 | 110.4 | E24 L25 E26 A30 R31 V32 | E24-I28 WeakPolarHBondContact O-CB 3.38Å; E24-I28 WeakPolarHBondContact O-CD1 3.38Å; E24-I28 WeakPolarHBondContact O-CG1 3.46Å; E24-I28 PolarHBondContact O-N 3.29Å; L25-I28 PolarHBondContact O-N 2.78Å; E26-I28 PolarHBondContact O-N 3.09Å; I28-A30 VanDerWaalsContact C-N 3.35Å; I28-A30 PolarHBondContact O-N 2.94Å; I28-R31 PolarHBondContact O-N 2.99Å; I28-V32 WeakPolarHBondContact O-CG2 3.35Å; I28-V32 PolarHBondContact O-N 2.91Å |
| 29 | K | 79.9 | Confident | 73 | Confident | 149 Ų | 149 | 118.4 Ų | 118.4 | 65% | 0.648 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.8 | -40.2 | 178.3 | -157.8 | 177.4 | -174.4 | -175.3 | 0 | 111.6 | L25 E26 V32 Q33 | L25-K29 VanDerWaalsContact O-CB 3.23Å; L25-K29 WeakPolarHBondContact O-CB 3.35Å; L25-K29 PolarHBondContact O-N 2.97Å; E26-K29 PolarHBondContact O-N 3.29Å; K29-V32 PolarHBondContact O-N 3.14Å; K29-Q33 VanDerWaalsContact O-CB 3.32Å; K29-Q33 WeakPolarHBondContact O-CB 3.32Å; K29-Q33 PolarHBondContact O-N 3.49Å |
| 30 | A | 84.1 | Confident | 74.6 | Confident | 48 Ų | 48 | 118.4 Ų | 118.4 | 40% | 0.397 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.8 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E26 I28 Q33 E34 | E26-A30 WeakPolarHBondContact O-CB 3.33Å; E26-A30 PolarHBondContact O-N 2.87Å; I28-A30 VanDerWaalsContact C-N 3.35Å; I28-A30 PolarHBondContact O-N 2.94Å; A30-Q33 PolarHBondContact O-N 3.41Å; A30-E34 PolarHBondContact O-N 3.23Å |
| 31 | R | 77.6 | Confident | 76 | Confident | 195 Ų | 195 | 117 Ų | 117 | 74% | 0.736 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.7 | -34.4 | 177.5 | -67.6 | -176.7 | 96.5 | -177.3 | 7.5 | 113.3 | A27 I28 M35 | A27-R31 WeakPolarHBondContact O-CG 3.23Å; A27-R31 PolarHBondContact O-N 3.34Å; A27-R31 VanDerWaalsContact O-N 3.14Å; I28-R31 PolarHBondContact O-N 2.99Å; R31-M35 PolarHBondContact O-N 2.93Å |
| 32 | V | 85.8 | Confident | 77.3 | Confident | 65 Ų | 65 | 118.4 Ų | 118.4 | 39% | 0.394 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.1 | -42.2 | 173 | 171 | 0 | 0 | 0 | 0 | 110.3 | I28 K29 M35 E36 | I28-V32 WeakPolarHBondContact O-CG2 3.35Å; I28-V32 PolarHBondContact O-N 2.91Å; K29-V32 PolarHBondContact O-N 3.14Å; V32-M35 PolarHBondContact O-N 2.88Å; V32-E36 HydrophobicContact CG1-CG 4.43Å; V32-E36 WeakPolarHBondContact O-CG 3.42Å; V32-E36 PolarHBondContact O-N 3.5Å |
| 33 | Q | 84.1 | Confident | 78.2 | Confident | 105 Ų | 105 | 117.1 Ų | 117.1 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -39.8 | -179.8 | -164.9 | 174.4 | -10.6 | 0 | 0 | 112.4 | K29 A30 M35 E36 E37 | K29-Q33 VanDerWaalsContact O-CB 3.32Å; K29-Q33 WeakPolarHBondContact O-CB 3.32Å; K29-Q33 PolarHBondContact O-N 3.49Å; A30-Q33 PolarHBondContact O-N 3.41Å; Q33-M35 VanDerWaalsContact C-N 3.31Å; Q33-M35 PolarHBondContact O-N 3.35Å; Q33-E36 PolarHBondContact O-N 3.44Å; Q33-E37 WeakPolarHBondContact O-CB 3.35Å; Q33-E37 WeakPolarHBondContact O-CG 3.44Å; Q33-E37 PolarHBondContact O-N 3.26Å |
| 34 | E | 85.2 | Confident | 79 | Confident | 133 Ų | 133 | 117.1 Ų | 117.1 | 62% | 0.621 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.8 | -41.7 | 171.8 | -79.5 | -178.1 | 160 | 0 | 0 | 111.9 | A30 E37 E38 | A30-E34 PolarHBondContact O-N 3.23Å; E34-E37 PolarHBondContact O-N 2.86Å; E34-E38 WeakPolarHBondContact O-CB 3.44Å; E34-E38 PolarHBondContact O-N 2.9Å |
| 35 | M | 75.6 | Confident | 79.6 | Confident | 110 Ų | 110 | 116.7 Ų | 116.7 | 54% | 0.542 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.6 | -38.9 | 178.8 | -160.6 | 175 | 72 | 0 | 0 | 111.9 | R31 V32 Q33 E38 E39 | R31-M35 PolarHBondContact O-N 2.93Å; V32-M35 PolarHBondContact O-N 2.88Å; Q33-M35 VanDerWaalsContact C-N 3.31Å; Q33-M35 PolarHBondContact O-N 3.35Å; M35-E38 PolarHBondContact O-N 3.38Å; M35-E39 WeakPolarHBondContact O-CB 3.43Å; M35-E39 WeakPolarHBondContact O-CG 3.29Å; M35-E39 PolarHBondContact O-N 3.3Å |
| 36 | E | 84.8 | Confident | 80.3 | Confident | 111 Ų | 111 | 118 Ų | 118 | 52% | 0.519 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.2 | -39.8 | 172.5 | -76.6 | -176.5 | 168.3 | 0 | 0 | 111.7 | V32 Q33 E39 R40 | V32-E36 HydrophobicContact CG1-CG 4.43Å; V32-E36 WeakPolarHBondContact O-CG 3.42Å; V32-E36 PolarHBondContact O-N 3.5Å; Q33-E36 PolarHBondContact O-N 3.44Å; E36-E39 PolarHBondContact O-N 2.88Å; E36-R40 WeakPolarHBondContact O-CB 3.2Å; E36-R40 WeakPolarHBondContact O-CG 3.35Å; E36-R40 PolarHBondContact O-N 3.39Å |
| 37 | E | 84.1 | Confident | 80.6 | Confident | 105 Ų | 105 | 116.5 Ų | 116.5 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.1 | -40.5 | 175.6 | -75.6 | 179.6 | -173.1 | 0 | 0 | 111.8 | Q33 E34 R40 L41 | Q33-E37 WeakPolarHBondContact O-CB 3.35Å; Q33-E37 WeakPolarHBondContact O-CG 3.44Å; Q33-E37 PolarHBondContact O-N 3.26Å; E34-E37 PolarHBondContact O-N 2.86Å; E37-R40 PolarHBondContact O-N 3.35Å; E37-L41 WeakPolarHBondContact O-CB 3.45Å; E37-L41 VanDerWaalsContact O-CG 3.29Å; E37-L41 WeakPolarHBondContact O-CG 3.3Å; E37-L41 PolarHBondContact O-N 3.42Å |
| 38 | E | 79.1 | Confident | 80.5 | Confident | 135 Ų | 135 | 116.5 Ų | 116.5 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.5 | -43.2 | 174.7 | -166.1 | -176.7 | 171.3 | 0 | 0 | 111.6 | E34 M35 L41 R42 | E34-E38 WeakPolarHBondContact O-CB 3.44Å; E34-E38 PolarHBondContact O-N 2.9Å; M35-E38 PolarHBondContact O-N 3.38Å; E38-L41 PolarHBondContact O-N 3.15Å; E38-R42 VanDerWaalsContact O-CB 3.26Å; E38-R42 WeakPolarHBondContact O-CB 3.43Å; E38-R42 PolarHBondContact O-N 2.86Å |
| 39 | E | 83.8 | Confident | 80 | Confident | 128 Ų | 128 | 114.6 Ų | 114.6 | 60% | 0.598 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.2 | -40 | 174.4 | -79.7 | -168.5 | 160.8 | 0 | 0 | 112.1 | M35 E36 R42 A43 | M35-E39 WeakPolarHBondContact O-CB 3.43Å; M35-E39 WeakPolarHBondContact O-CG 3.29Å; M35-E39 PolarHBondContact O-N 3.3Å; E36-E39 PolarHBondContact O-N 2.88Å; E39-R42 PolarHBondContact O-N 3.38Å; E39-A43 VanDerWaalsContact O-CB 3.28Å; E39-A43 WeakPolarHBondContact O-CB 3.25Å; E39-A43 PolarHBondContact O-N 3.49Å |
| 40 | R | 85.3 | Confident | 79.6 | Confident | 190 Ų | 190 | 111.5 Ų | 111.5 | 72% | 0.717 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.7 | -44.5 | 175 | -75.9 | 179.8 | 78.7 | 174.6 | 5.1 | 111.6 | E36 E37 R42 A43 V44 | E36-R40 WeakPolarHBondContact O-CB 3.2Å; E36-R40 WeakPolarHBondContact O-CG 3.35Å; E36-R40 PolarHBondContact O-N 3.39Å; E37-R40 PolarHBondContact O-N 3.35Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 2.92Å; R40-A43 PolarHBondContact O-N 2.88Å; R40-V44 WeakPolarHBondContact O-CB 3.28Å; R40-V44 VanDerWaalsContact O-CG2 3.25Å; R40-V44 WeakPolarHBondContact O-CG2 3.26Å; R40-V44 PolarHBondContact O-N 2.89Å |
| 41 | L | 81.1 | Confident | 79 | Confident | 112 Ų | 112 | 116.7 Ų | 116.7 | 59% | 0.586 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.1 | -43.2 | 174.9 | -75.3 | 166.7 | 0 | 0 | 0 | 111.1 | E37 E38 V44 Q45 | E37-L41 WeakPolarHBondContact O-CB 3.45Å; E37-L41 VanDerWaalsContact O-CG 3.29Å; E37-L41 WeakPolarHBondContact O-CG 3.3Å; E37-L41 PolarHBondContact O-N 3.42Å; E38-L41 PolarHBondContact O-N 3.15Å; L41-V44 PolarHBondContact O-N 3.48Å; L41-Q45 WeakPolarHBondContact O-CB 3.47Å; L41-Q45 VanDerWaalsContact O-CG 3.3Å; L41-Q45 WeakPolarHBondContact O-CG 3.48Å; L41-Q45 PolarHBondContact O-N 3.36Å |
| 42 | R | 82.1 | Confident | 78.3 | Confident | 187 Ų | 187 | 114.3 Ų | 114.3 | 71% | 0.706 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.1 | -39.3 | 177.6 | -171.3 | 175 | -178.2 | -179.9 | 0.3 | 112.5 | E38 E39 R40 Q45 Y46 | E38-R42 VanDerWaalsContact O-CB 3.26Å; E38-R42 WeakPolarHBondContact O-CB 3.43Å; E38-R42 PolarHBondContact O-N 2.86Å; E39-R42 PolarHBondContact O-N 3.38Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 2.92Å; R42-Q45 PolarHBondContact O-N 2.93Å; R42-Y46 WeakPolarHBondContact O-CB 3.4Å; R42-Y46 PolarHBondContact O-N 3.28Å |
| 43 | A | 84.1 | Confident | 77.2 | Confident | 57 Ų | 57 | 116.3 Ų | 116.3 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.6 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | E39 R40 Q45 Y46 E47 | E39-A43 VanDerWaalsContact O-CB 3.28Å; E39-A43 WeakPolarHBondContact O-CB 3.25Å; E39-A43 PolarHBondContact O-N 3.49Å; R40-A43 PolarHBondContact O-N 2.88Å; A43-Q45 PolarHBondContact O-N 3.36Å; A43-Y46 PolarHBondContact O-N 3.02Å; A43-E47 WeakPolarHBondContact O-CB 3.25Å; A43-E47 PolarHBondContact O-N 3.38Å |
| 44 | V | 84.9 | Confident | 76.3 | Confident | 94 Ų | 94 | 117.1 Ų | 117.1 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.6 | -42.3 | 175.5 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | R40 L41 A48 | R40-V44 WeakPolarHBondContact O-CB 3.28Å; R40-V44 VanDerWaalsContact O-CG2 3.25Å; R40-V44 WeakPolarHBondContact O-CG2 3.26Å; R40-V44 PolarHBondContact O-N 2.89Å; L41-V44 PolarHBondContact O-N 3.48Å; V44-A48 WeakPolarHBondContact O-CB 3.37Å; V44-A48 PolarHBondContact O-N 2.8Å |
| 45 | Q | 71.5 | Confident | 75.2 | Confident | 131 Ų | 131 | 113.5 Ų | 113.5 | 61% | 0.612 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 174.8 | -73.4 | 179.1 | 6.8 | 0 | 0 | 111.7 | L41 R42 A43 A48 T49 | L41-Q45 WeakPolarHBondContact O-CB 3.47Å; L41-Q45 VanDerWaalsContact O-CG 3.3Å; L41-Q45 WeakPolarHBondContact O-CG 3.48Å; L41-Q45 PolarHBondContact O-N 3.36Å; R42-Q45 PolarHBondContact O-N 2.93Å; A43-Q45 PolarHBondContact O-N 3.36Å; Q45-A48 PolarHBondContact O-N 2.67Å; Q45-T49 WeakPolarHBondContact O-CG2 3.46Å; Q45-T49 PolarHBondContact O-N 2.8Å; Q45-T49 PolarHBondContact O-OG1 3.02Å |
| 46 | Y | 70.2 | Confident | 74.4 | Confident | 143 Ų | 143 | 109.6 Ų | 109.6 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.6 | -45.5 | 177.7 | -173.5 | -102.1 | 0 | 0 | 0 | 111.4 | R42 A43 A48 T49 E50 | R42-Y46 WeakPolarHBondContact O-CB 3.4Å; R42-Y46 PolarHBondContact O-N 3.28Å; A43-Y46 PolarHBondContact O-N 3.02Å; Y46-A48 PolarHBondContact O-N 3.14Å; Y46-T49 WeakPolarHBondContact CA-OG1 2.91Å; Y46-T49 PolarHBondContact O-N 3.35Å; Y46-T49 PolarHBondContact O-OG1 3.25Å; Y46-E50 HydrophobicContact CD1-CG 4Å; Y46-E50 HydrophobicContact CE1-CG 3.53Å; Y46-E50 HydrophobicContact CE2-CG 4.49Å; Y46-E50 WeakPolarHBondContact O-CB 3.42Å; Y46-E50 WeakPolarHBondContact O-CG 3.48Å; Y46-E50 PolarHBondContact O-N 3.04Å; Y46-E50 PolarHBondContact OH-OE1 3.47Å |
| 47 | E | 79.6 | Confident | 73.1 | Confident | 96 Ų | 96 | 105.1 Ų | 105.1 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.5 | -171.1 | -179.8 | -172.7 | 0 | 0 | 112.3 | A43 T49 E50 R51 | A43-E47 WeakPolarHBondContact O-CB 3.25Å; A43-E47 PolarHBondContact O-N 3.38Å; E47-T49 VanDerWaalsContact C-N 3.35Å; E47-E50 PolarHBondContact O-N 3.5Å; E47-R51 WeakPolarHBondContact O-CB 3.18Å; E47-R51 WeakPolarHBondContact O-CG 3.28Å; E47-R51 PolarHBondContact O-N 2.93Å; E47-R51 IonicContact OE1-CZ 3.66Å; E47-R51 VanDerWaalsContact OE1-CZ 3.32Å; E47-R51 IonicContact OE1-NE 2.74Å; E47-R51 IonicContact OE1-NH2 3.92Å; E47-R51 PolarHBondContact OE1-NH2 3.29Å; E47-R51 IonicContact OE2-NH2 2.67Å |
| 48 | A | 73.3 | Confident | 71.8 | Confident | 53 Ų | 53 | 104.9 Ų | 104.9 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V44 Q45 Y46 Q52 | V44-A48 WeakPolarHBondContact O-CB 3.37Å; V44-A48 PolarHBondContact O-N 2.8Å; Q45-A48 PolarHBondContact O-N 2.67Å; Y46-A48 PolarHBondContact O-N 3.14Å; A48-Q52 PolarHBondContact O-N 3.48Å |
| 49 | T | 65.2 | Low | 70.7 | Confident | 60 Ų | 60 | 101 Ų | 101 | 37% | 0.368 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -41.7 | 175.8 | 61.5 | 0 | 0 | 0 | 0 | 112.2 | Q45 Y46 E47 Q52 I53 | Q45-T49 WeakPolarHBondContact O-CG2 3.46Å; Q45-T49 PolarHBondContact O-N 2.8Å; Q45-T49 PolarHBondContact O-OG1 3.02Å; Y46-T49 WeakPolarHBondContact CA-OG1 2.91Å; Y46-T49 PolarHBondContact O-N 3.35Å; Y46-T49 PolarHBondContact O-OG1 3.25Å; E47-T49 VanDerWaalsContact C-N 3.35Å; T49-Q52 WeakPolarHBondContact O-CB 3.21Å; T49-Q52 PolarHBondContact O-N 3.31Å; T49-I53 WeakPolarHBondContact O-CB 3.35Å; T49-I53 WeakPolarHBondContact O-CD1 3.48Å; T49-I53 WeakPolarHBondContact O-CG1 3.38Å; T49-I53 PolarHBondContact O-N 3.29Å |
| 50 | E | 70.9 | Confident | 69.3 | Low | 83 Ų | 83 | 101.8 Ų | 101.8 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 175.3 | -82.2 | -92.1 | 152.8 | 0 | 0 | 111 | Y46 E47 Q52 I53 Q54 | Y46-E50 HydrophobicContact CD1-CG 4Å; Y46-E50 HydrophobicContact CE1-CG 3.53Å; Y46-E50 HydrophobicContact CE2-CG 4.49Å; Y46-E50 WeakPolarHBondContact O-CB 3.42Å; Y46-E50 WeakPolarHBondContact O-CG 3.48Å; Y46-E50 PolarHBondContact O-N 3.04Å; Y46-E50 PolarHBondContact OH-OE1 3.47Å; E47-E50 PolarHBondContact O-N 3.5Å; E50-Q52 VanDerWaalsContact C-N 3.32Å; E50-Q52 PolarHBondContact O-N 2.97Å; E50-I53 CarbonylContact O-C 3.46Å; E50-I53 PolarHBondContact O-N 3.43Å; E50-I53 VanDerWaalsContact O-N 3.15Å; E50-Q54 VanDerWaalsContact O-CB 3.28Å; E50-Q54 WeakPolarHBondContact O-CB 3.15Å; E50-Q54 PolarHBondContact O-N 3.49Å |
| 51 | R | 71.8 | Confident | 68.2 | Low | 158 Ų | 158 | 97.9 Ų | 97.9 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.2 | -40.9 | 176.1 | -73.1 | 176.8 | -174 | 173.5 | 1.2 | 112 | E47 Q54 A55 | E47-R51 WeakPolarHBondContact O-CB 3.18Å; E47-R51 WeakPolarHBondContact O-CG 3.28Å; E47-R51 PolarHBondContact O-N 2.93Å; E47-R51 IonicContact OE1-CZ 3.66Å; E47-R51 VanDerWaalsContact OE1-CZ 3.32Å; E47-R51 IonicContact OE1-NE 2.74Å; E47-R51 IonicContact OE1-NH2 3.92Å; E47-R51 PolarHBondContact OE1-NH2 3.29Å; E47-R51 IonicContact OE2-NH2 2.67Å; R51-Q54 PolarHBondContact O-N 3.5Å; R51-A55 WeakPolarHBondContact O-CB 3.29Å; R51-A55 PolarHBondContact O-N 3.45Å |
| 52 | Q | 61.7 | Low | 67.7 | Low | 145 Ų | 145 | 96.1 Ų | 96.1 | 68% | 0.678 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 173.4 | -97.7 | 178.3 | -13.9 | 0 | 0 | 112.5 | A48 T49 E50 Q54 A55 A56 | A48-Q52 PolarHBondContact O-N 3.48Å; T49-Q52 WeakPolarHBondContact O-CB 3.21Å; T49-Q52 PolarHBondContact O-N 3.31Å; E50-Q52 VanDerWaalsContact C-N 3.32Å; E50-Q52 PolarHBondContact O-N 2.97Å; Q52-Q54 VanDerWaalsContact C-N 3.31Å; Q52-Q54 PolarHBondContact O-N 3.44Å; Q52-A55 PolarHBondContact O-N 3.28Å; Q52-A56 WeakPolarHBondContact O-CB 3.42Å; Q52-A56 PolarHBondContact O-N 2.96Å |
| 53 | I | 63 | Low | 67.7 | Low | 107 Ų | 107 | 90.8 Ų | 90.8 | 55% | 0.549 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.5 | -34.6 | 178.2 | -69.9 | 164.3 | 0 | 0 | 0 | 110.8 | T49 E50 G57 | T49-I53 WeakPolarHBondContact O-CB 3.35Å; T49-I53 WeakPolarHBondContact O-CD1 3.48Å; T49-I53 WeakPolarHBondContact O-CG1 3.38Å; T49-I53 PolarHBondContact O-N 3.29Å; E50-I53 CarbonylContact O-C 3.46Å; E50-I53 PolarHBondContact O-N 3.43Å; E50-I53 VanDerWaalsContact O-N 3.15Å; I53-G57 VanDerWaalsContact O-CA 3.24Å; I53-G57 WeakPolarHBondContact O-CA 3.33Å; I53-G57 PolarHBondContact O-N 3.39Å |
| 54 | Q | 65.4 | Low | 67.4 | Low | 121 Ų | 121 | 93.3 Ų | 93.3 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -75.1 | -38.6 | 177.7 | -157.8 | 171.6 | 39.8 | 0 | 0 | 111.6 | E50 R51 Q52 G57 M58 | E50-Q54 VanDerWaalsContact O-CB 3.28Å; E50-Q54 WeakPolarHBondContact O-CB 3.15Å; E50-Q54 PolarHBondContact O-N 3.49Å; R51-Q54 PolarHBondContact O-N 3.5Å; Q52-Q54 VanDerWaalsContact C-N 3.31Å; Q52-Q54 PolarHBondContact O-N 3.44Å; Q54-G57 CarbonylContact O-C 3.55Å; Q54-G57 VanDerWaalsContact O-CA 3.23Å; Q54-G57 WeakPolarHBondContact O-CA 3.37Å; Q54-G57 PolarHBondContact O-N 3.27Å; Q54-G57 VanDerWaalsContact O-N 3.15Å; Q54-M58 PolarHBondContact O-N 2.74Å |
| 55 | A | 61.7 | Low | 67.2 | Low | 58 Ų | 58 | 96.2 Ų | 96.2 | 48% | 0.479 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R51 Q52 G57 | R51-A55 WeakPolarHBondContact O-CB 3.29Å; R51-A55 PolarHBondContact O-N 3.45Å; Q52-A55 PolarHBondContact O-N 3.28Å; A55-G57 VanDerWaalsContact C-N 3.35Å |
| 56 | A | 58.6 | Low | 67.8 | Low | 27 Ų | 27 | 94.4 Ų | 94.4 | 22% | 0.223 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q52 M58 F59 Y60 | Q52-A56 WeakPolarHBondContact O-CB 3.42Å; Q52-A56 PolarHBondContact O-N 2.96Å; A56-M58 PolarHBondContact O-N 3.48Å; A56-F59 VanDerWaalsContact O-CB 3.25Å; A56-F59 WeakPolarHBondContact O-CB 3.48Å; A56-F59 PolarHBondContact O-N 2.88Å; A56-Y60 VanDerWaalsContact C-CE1 3.42Å; A56-Y60 HydrophobicContact CB-CE1 4.12Å; A56-Y60 WeakPolarHBondContact CB-OH 3.49Å; A56-Y60 VanDerWaalsContact O-CD1 3.26Å; A56-Y60 WeakPolarHBondContact O-CD1 3.49Å; A56-Y60 WeakPolarHBondContact O-CE1 3.34Å; A56-Y60 PolarHBondContact O-OH 2.86Å |
| 57 | G | 57.2 | Low | 68.4 | Low | 18 Ų | 18 | 92.2 Ų | 92.2 | 19% | 0.186 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -38.4 | -59.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114 | I53 Q54 A55 F59 Y60 T61 | I53-G57 VanDerWaalsContact O-CA 3.24Å; I53-G57 WeakPolarHBondContact O-CA 3.33Å; I53-G57 PolarHBondContact O-N 3.39Å; Q54-G57 CarbonylContact O-C 3.55Å; Q54-G57 VanDerWaalsContact O-CA 3.23Å; Q54-G57 WeakPolarHBondContact O-CA 3.37Å; Q54-G57 PolarHBondContact O-N 3.27Å; Q54-G57 VanDerWaalsContact O-N 3.15Å; A55-G57 VanDerWaalsContact C-N 3.35Å; G57-F59 PolarHBondContact O-N 3.35Å; G57-Y60 VanDerWaalsContact N-CZ 3.28Å; G57-Y60 PolarHBondContact N-OH 3.36Å; G57-Y60 WeakPolarHBondContact O-CD2 3.28Å; G57-Y60 PolarHBondContact O-N 3.5Å; G57-Y60 VanDerWaalsContact O-N 3.17Å; G57-T61 PolarHBondContact O-N 3.33Å |
| 58 | M | 57.1 | Low | 68.6 | Low | 99 Ų | 99 | 89.6 Ų | 89.6 | 49% | 0.488 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -55.6 | -36.3 | 179.2 | -116.1 | 83.5 | 75.2 | 0 | 0 | 112.1 | Q54 A56 Y60 T61 M62 | Q54-M58 PolarHBondContact O-N 2.74Å; A56-M58 PolarHBondContact O-N 3.48Å; M58-Y60 VanDerWaalsContact C-N 3.32Å; M58-Y60 PolarHBondContact O-N 2.8Å; M58-T61 WeakPolarHBondContact CA-OG1 3.49Å; M58-T61 PolarHBondContact O-N 2.96Å; M58-T61 PolarHBondContact O-OG1 3.2Å; M58-M62 HydrophobicContact CB-CE 4.1Å; M58-M62 HydrophobicContact CG-CE 3.92Å; M58-M62 VanDerWaalsContact O-CG 3.26Å; M58-M62 WeakPolarHBondContact O-CG 3.19Å; M58-M62 PolarHBondContact O-N 3.45Å; M58-M62 VanDerWaalsContact O-N 3.1Å |
| 59 | F | 56.1 | Low | 69.3 | Low | 54 Ų | 54 | 89.2 Ų | 89.2 | 24% | 0.237 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.9 | -29.5 | -177.3 | -177.5 | -105.5 | 0 | 0 | 0 | 113.4 | A56 G57 | A56-F59 VanDerWaalsContact O-CB 3.25Å; A56-F59 WeakPolarHBondContact O-CB 3.48Å; A56-F59 PolarHBondContact O-N 2.88Å; G57-F59 PolarHBondContact O-N 3.35Å |
| 60 | Y | 54.8 | Low | 70.4 | Confident | 145 Ų | 145 | 86.8 Ų | 86.8 | 57% | 0.569 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -86.7 | -16 | 176 | 1.9 | -77.6 | 0 | 0 | 0 | 113.1 | A56 G57 M58 | A56-Y60 VanDerWaalsContact C-CE1 3.42Å; A56-Y60 HydrophobicContact CB-CE1 4.12Å; A56-Y60 WeakPolarHBondContact CB-OH 3.49Å; A56-Y60 VanDerWaalsContact O-CD1 3.26Å; A56-Y60 WeakPolarHBondContact O-CD1 3.49Å; A56-Y60 WeakPolarHBondContact O-CE1 3.34Å; A56-Y60 PolarHBondContact O-OH 2.86Å; G57-Y60 VanDerWaalsContact N-CZ 3.28Å; G57-Y60 PolarHBondContact N-OH 3.36Å; G57-Y60 WeakPolarHBondContact O-CD2 3.28Å; G57-Y60 PolarHBondContact O-N 3.5Å; G57-Y60 VanDerWaalsContact O-N 3.17Å; M58-Y60 VanDerWaalsContact C-N 3.32Å; M58-Y60 PolarHBondContact O-N 2.8Å |
| 61 | T | 62.9 | Low | 71.3 | Confident | 108 Ų | 108 | 83.9 Ų | 83.9 | 66% | 0.663 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -89.7 | -11.3 | 172.7 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | G57 M58 | G57-T61 PolarHBondContact O-N 3.33Å; M58-T61 WeakPolarHBondContact CA-OG1 3.49Å; M58-T61 PolarHBondContact O-N 2.96Å; M58-T61 PolarHBondContact O-OG1 3.2Å |
| 62 | M | 70.8 | Confident | 72.2 | Confident | 74 Ų | 74 | 79.4 Ų | 79.4 | 37% | 0.365 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -64.7 | 142.1 | 176.8 | -70.4 | -45.4 | 168.2 | 0 | 0 | 112.1 | M58 E66 R67 | M58-M62 HydrophobicContact CB-CE 4.1Å; M58-M62 HydrophobicContact CG-CE 3.92Å; M58-M62 VanDerWaalsContact O-CG 3.26Å; M58-M62 WeakPolarHBondContact O-CG 3.19Å; M58-M62 PolarHBondContact O-N 3.45Å; M58-M62 VanDerWaalsContact O-N 3.1Å; M62-E66 HydrophobicContact CB-CB 4.1Å; M62-E66 HydrophobicContact CG-CB 4.39Å; M62-E66 HydrophobicContact SD-CB 4.49Å; M62-R67 HydrophobicContact CB-CG 3.88Å |
| 63 | T | 80.3 | Confident | 73.7 | Confident | 75 Ų | 75 | 75 Ų | 75 | 46% | 0.46 | 38% | 0.381 | S | S | . | . | trans | -62.4 | 158.7 | 171.4 | 65.2 | 0 | 0 | 0 | 0 | 110.8 | E65 E66 R67 | T63-E65 PolarHBondContact O-N 3.15Å; T63-E66 WeakPolarHBondContact CB-OE2 3.48Å; T63-E66 PolarHBondContact N-OE2 2.63Å; T63-E66 PolarHBondContact O-N 3.37Å; T63-E66 VanDerWaalsContact OG1-CG 3.31Å; T63-E66 WeakPolarHBondContact OG1-CG 3.41Å; T63-E66 PolarHBondContact OG1-N 3.39Å; T63-E66 PolarHBondContact OG1-OE2 2.96Å; T63-R67 WeakPolarHBondContact O-CG 3.43Å; T63-R67 PolarHBondContact O-N 3.3Å | ||
| 64 | H | 78.4 | Confident | 75.2 | Confident | 110 Ų | 110 | 70 Ų | 70 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.1 | -34.5 | 178.8 | -178.5 | -101.2 | 0 | 0 | 0 | 112.5 | R67 I68 | H64-R67 PolarHBondContact O-N 3.2Å; H64-I68 WeakPolarHBondContact CE1-CD1 3.32Å; H64-I68 WeakPolarHBondContact ND1-CD1 3.32Å; H64-I68 WeakPolarHBondContact O-CG1 3.43Å; H64-I68 PolarHBondContact O-N 2.81Å; H64-I68 VanDerWaalsContact O-N 3.1Å |
| 65 | E | 80.6 | Confident | 76.6 | Confident | 155 Ų | 155 | 64.2 Ų | 64.2 | 72% | 0.724 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.9 | -44.6 | 179.6 | -67 | 173.2 | -176.5 | 0 | 0 | 111.8 | T63 R67 I68 D69 | T63-E65 PolarHBondContact O-N 3.15Å; E65-R67 VanDerWaalsContact C-N 3.3Å; E65-R67 PolarHBondContact O-N 3.39Å; E65-I68 PolarHBondContact O-N 3.24Å; E65-D69 PolarHBondContact O-N 3.03Å |
| 66 | E | 83.3 | Confident | 78.3 | Confident | 94 Ų | 94 | 64.1 Ų | 64.1 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 176.8 | -70.6 | 161.8 | 146.8 | 0 | 0 | 111.9 | M62 T63 D69 A70 | M62-E66 HydrophobicContact CB-CB 4.1Å; M62-E66 HydrophobicContact CG-CB 4.39Å; M62-E66 HydrophobicContact SD-CB 4.49Å; T63-E66 WeakPolarHBondContact CB-OE2 3.48Å; T63-E66 PolarHBondContact N-OE2 2.63Å; T63-E66 PolarHBondContact O-N 3.37Å; T63-E66 VanDerWaalsContact OG1-CG 3.31Å; T63-E66 WeakPolarHBondContact OG1-CG 3.41Å; T63-E66 PolarHBondContact OG1-N 3.39Å; T63-E66 PolarHBondContact OG1-OE2 2.96Å; E66-D69 PolarHBondContact O-N 2.93Å; E66-A70 WeakPolarHBondContact O-CB 3.35Å; E66-A70 PolarHBondContact O-N 3.07Å |
| 67 | R | 83.3 | Confident | 80 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 37% | 0.366 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 176.3 | -63.8 | 178.6 | 82.4 | 167.5 | 9.6 | 112 | M62 T63 H64 E65 D69 D71 | M62-R67 HydrophobicContact CB-CG 3.88Å; T63-R67 WeakPolarHBondContact O-CG 3.43Å; T63-R67 PolarHBondContact O-N 3.3Å; H64-R67 PolarHBondContact O-N 3.2Å; E65-R67 VanDerWaalsContact C-N 3.3Å; E65-R67 PolarHBondContact O-N 3.39Å; R67-D69 VanDerWaalsContact C-N 3.35Å; R67-D71 WeakPolarHBondContact O-CB 3.24Å; R67-D71 VanDerWaalsContact O-CG 3.22Å; R67-D71 PolarHBondContact O-N 3.38Å |
| 68 | I | 85.1 | Confident | 81.8 | Confident | 40 Ų | 40 | 62 Ų | 62 | 21% | 0.205 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 172.9 | -70.8 | 165.3 | 0 | 0 | 0 | 110.2 | H64 E65 D71 N72 T150 M152 | H64-I68 WeakPolarHBondContact CE1-CD1 3.32Å; H64-I68 WeakPolarHBondContact ND1-CD1 3.32Å; H64-I68 WeakPolarHBondContact O-CG1 3.43Å; H64-I68 PolarHBondContact O-N 2.81Å; H64-I68 VanDerWaalsContact O-N 3.1Å; E65-I68 PolarHBondContact O-N 3.24Å; I68-D71 PolarHBondContact O-N 3.25Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.18Å; I68-N72 WeakPolarHBondContact O-CB 3.1Å; I68-N72 PolarHBondContact O-N 3.4Å; I68-N72 PolarHBondContact O-ND2 3.18Å; I68-N72 VanDerWaalsContact O-ND2 3.1Å; I68-T150 HydrophobicContact CG2-CG2 4.29Å; I68-M152 HydrophobicContact CD1-SD 4.13Å |
| 69 | D | 87.9 | Confident | 83.6 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65 | -43 | 179.4 | -176.5 | 71 | 0 | 0 | 0 | 112.4 | E65 E66 R67 D71 N72 R73 R124 | E65-D69 PolarHBondContact O-N 3.03Å; E66-D69 PolarHBondContact O-N 2.93Å; R67-D69 VanDerWaalsContact C-N 3.35Å; D69-D71 VanDerWaalsContact C-N 3.32Å; D69-D71 PolarHBondContact O-N 2.93Å; D69-N72 WeakPolarHBondContact O-CB 3.4Å; D69-N72 PolarHBondContact O-N 2.84Å; D69-R73 PolarHBondContact O-N 2.71Å; D69-R73 IonicContact OD2-CZ 3.81Å; D69-R73 IonicContact OD2-NE 3.98Å; D69-R73 PolarHBondContact OD2-NE 3.09Å; D69-R73 IonicContact OD2-NH2 2.63Å; D69-R73 PolarHBondContact OD2-NH2 2.87Å; D69-R124 IonicContact OD1-CZ 3.51Å; D69-R124 IonicContact OD1-NE 2.72Å; D69-R124 PolarHBondContact OD1-NE 3.14Å; D69-R124 IonicContact OD1-NH2 3.09Å; D69-R124 PolarHBondContact OD1-NH2 3.11Å |
| 70 | A | 88.2 | Confident | 85.4 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -42 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E66 N72 R73 S74 | E66-A70 WeakPolarHBondContact O-CB 3.35Å; E66-A70 PolarHBondContact O-N 3.07Å; A70-N72 VanDerWaalsContact C-N 3.33Å; A70-N72 PolarHBondContact O-N 2.8Å; A70-R73 CarbonylContact O-C 3.56Å; A70-R73 PolarHBondContact O-N 2.73Å; A70-S74 WeakPolarHBondContact O-CB 3.34Å; A70-S74 PolarHBondContact O-N 2.76Å; A70-S74 VanDerWaalsContact O-N 3.11Å; A70-S74 PolarHBondContact O-OG 3.39Å |
| 71 | D | 89.1 | Confident | 87.3 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -38.7 | 175.2 | -78.3 | -4.9 | 0 | 0 | 0 | 112.1 | R67 I68 D69 R73 S74 K148 T150 | R67-D71 WeakPolarHBondContact O-CB 3.24Å; R67-D71 VanDerWaalsContact O-CG 3.22Å; R67-D71 PolarHBondContact O-N 3.38Å; I68-D71 PolarHBondContact O-N 3.25Å; D69-D71 VanDerWaalsContact C-N 3.32Å; D69-D71 PolarHBondContact O-N 2.93Å; D71-R73 VanDerWaalsContact C-N 3.29Å; D71-R73 PolarHBondContact O-N 3.39Å; D71-S74 WeakPolarHBondContact O-CB 3.06Å; D71-S74 PolarHBondContact O-N 2.97Å; D71-S74 VanDerWaalsContact O-N 3.14Å; D71-K148 HydrophobicContact CB-CD 4.36Å; D71-K148 WeakPolarHBondContact OD1-CE 3.42Å; D71-K148 IonicContact OD1-NZ 3.32Å; D71-K148 PolarHBondContact OD1-NZ 2.79Å; D71-T150 HydrophobicContact CB-CG2 3.66Å |
| 72 | N | 91.1 | Very high | 88.6 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 34% | 0.342 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.9 | -27.8 | 175.9 | -70.8 | -36.3 | 0 | 0 | 0 | 113 | I68 D69 A70 S74 T150 | I68-N72 WeakPolarHBondContact CG2-ND2 3.18Å; I68-N72 WeakPolarHBondContact O-CB 3.1Å; I68-N72 PolarHBondContact O-N 3.4Å; I68-N72 PolarHBondContact O-ND2 3.18Å; I68-N72 VanDerWaalsContact O-ND2 3.1Å; D69-N72 WeakPolarHBondContact O-CB 3.4Å; D69-N72 PolarHBondContact O-N 2.84Å; A70-N72 VanDerWaalsContact C-N 3.33Å; A70-N72 PolarHBondContact O-N 2.8Å; N72-S74 VanDerWaalsContact C-N 3.31Å; N72-T150 VanDerWaalsContact OD1-CG2 3.3Å; N72-T150 WeakPolarHBondContact OD1-CG2 3.41Å |
| 73 | R | 93.3 | Very high | 89.6 | Confident | 51 Ų | 51 | 53.8 Ų | 53.8 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 4.5 | 173.3 | -71.3 | -174.7 | -76.5 | 153.9 | 2.9 | 113.4 | D69 A70 D71 F121 H122 R124 V127 | D69-R73 PolarHBondContact O-N 2.71Å; D69-R73 IonicContact OD2-CZ 3.81Å; D69-R73 IonicContact OD2-NE 3.98Å; D69-R73 PolarHBondContact OD2-NE 3.09Å; D69-R73 IonicContact OD2-NH2 2.63Å; D69-R73 PolarHBondContact OD2-NH2 2.87Å; A70-R73 CarbonylContact O-C 3.56Å; A70-R73 PolarHBondContact O-N 2.73Å; D71-R73 VanDerWaalsContact C-N 3.29Å; D71-R73 PolarHBondContact O-N 3.39Å; R73-F121 PolarHBondContact O-N 2.95Å; R73-H122 WeakPolarHBondContact CD-O 3.24Å; R73-H122 PolarHBondContact NH1-O 2.81Å; R73-R124 HydrophobicContact CG-CB 4.36Å; R73-R124 HydrophobicContact CG-CG 3.39Å; R73-V127 VanDerWaalsContact C-CG2 3.47Å; R73-V127 WeakPolarHBondContact O-CG2 3.43Å |
| 74 | S | 94.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 147.9 | -176.7 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | A70 D71 N72 I119 K148 | A70-S74 WeakPolarHBondContact O-CB 3.34Å; A70-S74 PolarHBondContact O-N 2.76Å; A70-S74 VanDerWaalsContact O-N 3.11Å; A70-S74 PolarHBondContact O-OG 3.39Å; D71-S74 WeakPolarHBondContact O-CB 3.06Å; D71-S74 PolarHBondContact O-N 2.97Å; D71-S74 VanDerWaalsContact O-N 3.14Å; N72-S74 VanDerWaalsContact C-N 3.31Å; S74-I119 CarbonylContact C-O 3.5Å; S74-I119 WeakPolarHBondContact CA-O 3.23Å; S74-K148 VanDerWaalsContact O-CB 3.22Å; S74-K148 WeakPolarHBondContact O-CB 3.4Å; S74-K148 PolarHBondContact O-N 2.74Å |
| 75 | V | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 147.9 | 168.3 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | V77 Y118 I119 F121 V127 A130 V145 L146 | V75-V77 HydrophobicContact CG2-CG2 4.23Å; V75-Y118 WeakPolarHBondContact O-CA 3.37Å; V75-I119 HydrophobicContact CG2-CB 3.77Å; V75-I119 PolarHBondContact N-O 2.8Å; V75-I119 PolarHBondContact O-N 2.86Å; V75-F121 HydrophobicContact CB-CE2 4.39Å; V75-F121 HydrophobicContact CG1-CE2 3.96Å; V75-F121 HydrophobicContact CG2-CD2 4.48Å; V75-F121 HydrophobicContact CG2-CE2 3.57Å; V75-F121 HydrophobicContact CG2-CZ 4.24Å; V75-V127 HydrophobicContact CG1-CB 4.27Å; V75-V127 HydrophobicContact CG1-CG1 3.74Å; V75-V127 HydrophobicContact CG1-CG2 4.43Å; V75-A130 HydrophobicContact CG1-CB 4.08Å; V75-V145 HydrophobicContact CB-CG1 4.21Å; V75-V145 HydrophobicContact CG1-CG1 4.43Å; V75-L146 CarbonylContact C-O 3.55Å; V75-L146 WeakPolarHBondContact CA-O 3.15Å |
| 76 | Y | 95.9 | Very high | 91.3 | Very high | 57 Ų | 57 | 43 Ų | 43 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 127.2 | 164.5 | 166.3 | -95.8 | 0 | 0 | 0 | 109.1 | F116 Y118 V145 L146 | Y76-F116 HydrophobicContact CE1-CD1 4.46Å; Y76-F116 HydrophobicContact CE2-CB 3.97Å; Y76-F116 AromaticContact CE2-CD1 3.67Å; Y76-F116 HydrophobicContact CE2-CD1 3.67Å; Y76-F116 HydrophobicContact CE2-CG 4.01Å; Y76-F116 AromaticContact CZ-CD1 3.42Å; Y76-F116 VanDerWaalsContact CZ-CD1 3.42Å; Y76-F116 AromaticContact CZ-CE1 3.91Å; Y76-F116 WeakPolarHBondContact OH-CD1 3.49Å; Y76-F116 WeakPolarHBondContact OH-CE1 3.44Å; Y76-Y118 HydrophobicContact CD2-CD1 4.41Å; Y76-Y118 AromaticContact CD2-CE1 3.77Å; Y76-Y118 HydrophobicContact CD2-CE1 3.77Å; Y76-Y118 HydrophobicContact CG-CE1 4.44Å; Y76-V145 WeakPolarHBondContact O-CA 3.33Å; Y76-L146 HydrophobicContact CD1-CB 4.03Å; Y76-L146 HydrophobicContact CD1-CD1 4.17Å; Y76-L146 HydrophobicContact CD1-CG 4.37Å; Y76-L146 HydrophobicContact CE1-CD1 4.35Å; Y76-L146 PolarHBondContact N-O 3.38Å; Y76-L146 PolarHBondContact O-N 2.66Å |
| 77 | V | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124 | 172.9 | -169.3 | 0 | 0 | 0 | 0 | 108.2 | V75 V80 F93 F116 A117 I119 I143 K144 | V75-V77 HydrophobicContact CG2-CG2 4.23Å; V77-V80 HydrophobicContact CB-CG2 4.13Å; V77-V80 HydrophobicContact CG1-CG2 3.6Å; V77-F93 HydrophobicContact CG1-CE2 4.31Å; V77-F93 HydrophobicContact CG1-CZ 4.23Å; V77-F93 HydrophobicContact CG2-CE2 3.9Å; V77-F93 HydrophobicContact CG2-CZ 3.77Å; V77-F116 CarbonylContact O-C 3.57Å; V77-F116 VanDerWaalsContact O-CA 3.3Å; V77-F116 WeakPolarHBondContact O-CA 3.25Å; V77-A117 PolarHBondContact N-O 2.81Å; V77-A117 PolarHBondContact O-N 3.34Å; V77-I119 HydrophobicContact CG2-CD1 3.75Å; V77-I119 HydrophobicContact CG2-CG1 4.17Å; V77-I143 HydrophobicContact CG1-CB 4.18Å; V77-I143 HydrophobicContact CG1-CD1 4.14Å; V77-I143 HydrophobicContact CG1-CG2 4.43Å; V77-K144 CarbonylContact C-O 3.56Å; V77-K144 WeakPolarHBondContact CA-O 3.36Å |
| 78 | G | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 166.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V80 I143 K144 | G78-V80 PolarHBondContact O-N 3.08Å; G78-I143 WeakPolarHBondContact O-CA 3.3Å; G78-K144 PolarHBondContact N-O 3.36Å; G78-K144 PolarHBondContact O-N 2.63Å |
| 79 | N | 94.7 | Very high | 92.8 | Very high | 68 Ų | 68 | 40.1 Ų | 40.1 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 59.9 | 27.5 | -170.9 | -161.5 | 43.4 | 0 | 0 | 0 | 113.6 | G115 R141 V142 | N79-G115 PolarHBondContact N-O 2.87Å; N79-R141 PolarHBondContact O-NE 3.22Å; N79-R141 PolarHBondContact OD1-NH2 2.65Å; N79-V142 PolarHBondContact ND2-O 3.1Å |
| 80 | V | 93.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | trans | -67.4 | 144.5 | 176.6 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | V77 G78 A84 L89 G115 F138 | V77-V80 HydrophobicContact CB-CG2 4.13Å; V77-V80 HydrophobicContact CG1-CG2 3.6Å; G78-V80 PolarHBondContact O-N 3.08Å; V80-A84 HydrophobicContact CG1-CB 3.53Å; V80-L89 HydrophobicContact CG1-CD1 4.4Å; V80-L89 HydrophobicContact CG1-CD2 4.14Å; V80-G115 PolarHBondContact N-O 3.31Å; V80-G115 WeakPolarHBondContact O-CA 3.15Å; V80-F138 HydrophobicContact CG1-CE1 4.2Å | ||
| 81 | E | 93.9 | Very high | 93.4 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | trans | -62.6 | 145.6 | 175.2 | -158.6 | -164.5 | 141.7 | 0 | 0 | 111.8 | G83 A84 R139 | E81-G83 VanDerWaalsContact C-N 3.27Å; E81-G83 PolarHBondContact O-N 3.08Å; E81-A84 HydrophobicContact CB-CB 4.45Å; E81-A84 WeakPolarHBondContact O-CB 3.34Å; E81-A84 PolarHBondContact O-N 3.46Å; E81-R139 HydrophobicContact CB-CB 4.5Å; E81-R139 IonicContact OE1-CZ 3.97Å; E81-R139 IonicContact OE1-NE 3.02Å; E81-R139 IonicContact OE1-NH2 3.82Å; E81-R139 PolarHBondContact OE1-NH2 2.86Å; E81-R139 WeakPolarHBondContact OE2-CB 3.31Å; E81-R139 WeakPolarHBondContact OE2-CD 3.41Å; E81-R139 IonicContact OE2-CZ 3.02Å; E81-R139 VanDerWaalsContact OE2-CZ 3.31Å; E81-R139 IonicContact OE2-NE 3.25Å; E81-R139 PolarHBondContact OE2-NE 3.28Å; E81-R139 IonicContact OE2-NH2 3.31Å; E81-R139 PolarHBondContact OE2-NH2 2.91Å | ||
| 82 | Y | 91.3 | Very high | 93.6 | Very high | 139 Ų | 139 | 49.5 Ų | 49.5 | 55% | 0.545 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -29.9 | 178.7 | -61.7 | -62 | 0 | 0 | 0 | 113.3 | A84 P113 | Y82-A84 VanDerWaalsContact C-N 3.32Å; Y82-P113 HydrophobicContact CD1-CB 4.15Å; Y82-P113 HydrophobicContact CD1-CG 3.9Å; Y82-P113 WeakPolarHBondContact CD1-O 3.24Å; Y82-P113 WeakPolarHBondContact CE1-O 3.34Å; Y82-P113 HydrophobicContact CG-CG 4.36Å; Y82-P113 WeakPolarHBondContact O-CG 3.24Å |
| 83 | G | 90.4 | Very high | 93.7 | Very high | 41 Ų | 41 | 46.4 Ų | 46.4 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 5.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E81 R139 | E81-G83 VanDerWaalsContact C-N 3.27Å; E81-G83 PolarHBondContact O-N 3.08Å; G83-R139 PolarHBondContact O-NH1 2.91Å |
| 84 | A | 90.9 | Very high | 93.7 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | trans | -68.5 | 134.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V80 E81 Y82 I104 F138 | V80-A84 HydrophobicContact CG1-CB 3.53Å; E81-A84 HydrophobicContact CB-CB 4.45Å; E81-A84 WeakPolarHBondContact O-CB 3.34Å; E81-A84 PolarHBondContact O-N 3.46Å; Y82-A84 VanDerWaalsContact C-N 3.32Å; A84-I104 WeakPolarHBondContact O-CD1 3.28Å; A84-F138 HydrophobicContact CB-CE1 3.7Å; A84-F138 HydrophobicContact CB-CZ 4.13Å | ||
| 85 | T | 93.3 | Very high | 93.5 | Very high | 61 Ų | 61 | 52.6 Ų | 52.6 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | trans | -95.4 | 162.1 | 174.3 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | D87 E88 L89 | T85-D87 VanDerWaalsContact C-N 3.29Å; T85-D87 PolarHBondContact O-N 2.8Å; T85-E88 PolarHBondContact N-OE2 3.4Å; T85-E88 PolarHBondContact O-N 2.97Å; T85-E88 VanDerWaalsContact OG1-CG 3.28Å; T85-E88 WeakPolarHBondContact OG1-CG 3.36Å; T85-E88 PolarHBondContact OG1-N 3.39Å; T85-L89 PolarHBondContact O-N 3.46Å | ||
| 86 | A | 91.8 | Very high | 93.4 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E88 L89 E90 V102 | A86-E88 PolarHBondContact O-N 3.22Å; A86-L89 PolarHBondContact O-N 3.33Å; A86-E90 PolarHBondContact O-N 2.88Å; A86-V102 HydrophobicContact CB-CB 4.18Å; A86-V102 HydrophobicContact CB-CG1 4.12Å |
| 87 | D | 94.1 | Very high | 93.3 | Very high | 107 Ų | 107 | 51.4 Ų | 51.4 | 57% | 0.572 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.7 | -41.7 | 178.9 | -53.4 | -94 | 0 | 0 | 0 | 112.4 | T85 L89 E90 I91 | T85-D87 VanDerWaalsContact C-N 3.29Å; T85-D87 PolarHBondContact O-N 2.8Å; D87-L89 PolarHBondContact O-N 3.33Å; D87-E90 PolarHBondContact O-N 2.78Å; D87-I91 WeakPolarHBondContact O-CD1 3.34Å; D87-I91 VanDerWaalsContact O-CG1 3.25Å; D87-I91 WeakPolarHBondContact O-CG1 3.41Å; D87-I91 PolarHBondContact O-N 3.15Å |
| 88 | E | 94.4 | Very high | 93.2 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 178.2 | -74.5 | 172.2 | 173.5 | 0 | 0 | 112.3 | T85 A86 H92 F138 R139 | T85-E88 PolarHBondContact N-OE2 3.4Å; T85-E88 PolarHBondContact O-N 2.97Å; T85-E88 VanDerWaalsContact OG1-CG 3.28Å; T85-E88 WeakPolarHBondContact OG1-CG 3.36Å; T85-E88 PolarHBondContact OG1-N 3.39Å; A86-E88 PolarHBondContact O-N 3.22Å; E88-H92 WeakPolarHBondContact O-CB 3.36Å; E88-H92 PolarHBondContact O-N 3.15Å; E88-F138 HydrophobicContact CB-CE2 4.15Å; E88-F138 HydrophobicContact CB-CZ 3.9Å; E88-R139 VanDerWaalsContact CD-NH1 3.28Å; E88-R139 IonicContact OE1-CZ 2.82Å; E88-R139 IonicContact OE1-NH1 2.63Å; E88-R139 PolarHBondContact OE1-NH1 2.98Å; E88-R139 WeakPolarHBondContact OE2-CD 3.46Å; E88-R139 IonicContact OE2-CZ 3.43Å; E88-R139 IonicContact OE2-NE 3.38Å; E88-R139 IonicContact OE2-NH1 2.66Å; E88-R139 PolarHBondContact OE2-NH1 2.95Å |
| 89 | L | 93.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 175.2 | -70.8 | 173 | 0 | 0 | 0 | 110.6 | V80 T85 A86 D87 I91 H92 F93 V102 I104 A117 I119 F138 | V80-L89 HydrophobicContact CG1-CD1 4.4Å; V80-L89 HydrophobicContact CG1-CD2 4.14Å; T85-L89 PolarHBondContact O-N 3.46Å; A86-L89 PolarHBondContact O-N 3.33Å; D87-L89 PolarHBondContact O-N 3.33Å; L89-I91 PolarHBondContact O-N 2.8Å; L89-H92 PolarHBondContact O-N 2.89Å; L89-F93 HydrophobicContact CD2-CE2 4.43Å; L89-F93 VanDerWaalsContact O-CD2 3.28Å; L89-F93 WeakPolarHBondContact O-CD2 3.34Å; L89-F93 PolarHBondContact O-N 3.46Å; L89-V102 HydrophobicContact CB-CG1 4.21Å; L89-V102 HydrophobicContact CD1-CG1 3.97Å; L89-I104 HydrophobicContact CD1-CD1 4.1Å; L89-I104 HydrophobicContact CD1-CG1 4.02Å; L89-A117 HydrophobicContact CD1-CB 3.76Å; L89-I119 HydrophobicContact CB-CD1 4.33Å; L89-F138 HydrophobicContact CD2-CE1 4.25Å; L89-F138 HydrophobicContact CD2-CE2 4.28Å; L89-F138 HydrophobicContact CD2-CZ 4.02Å; L89-F138 HydrophobicContact CG-CZ 4.44Å |
| 90 | E | 94.4 | Very high | 93.1 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 40% | 0.397 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 176 | -173 | 174.6 | 169.9 | 0 | 0 | 111.2 | A86 D87 H92 F93 N94 V99 V102 | A86-E90 PolarHBondContact O-N 2.88Å; D87-E90 PolarHBondContact O-N 2.78Å; E90-H92 VanDerWaalsContact C-N 3.31Å; E90-H92 PolarHBondContact O-N 3.48Å; E90-F93 CarbonylContact O-C 3.55Å; E90-F93 PolarHBondContact O-N 2.77Å; E90-N94 VanDerWaalsContact O-CB 3.29Å; E90-N94 WeakPolarHBondContact O-CB 3.32Å; E90-N94 PolarHBondContact O-N 2.71Å; E90-V99 HydrophobicContact CG-CB 4.08Å; E90-V99 HydrophobicContact CG-CG1 4.38Å; E90-V99 HydrophobicContact CG-CG2 4.22Å; E90-V102 HydrophobicContact CB-CG2 4.36Å |
| 91 | I | 94 | Very high | 92.9 | Very high | 132 Ų | 132 | 60.6 Ų | 60.6 | 68% | 0.677 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59 | -42.9 | 177.6 | -67.4 | 162.9 | 0 | 0 | 0 | 111.3 | D87 L89 F93 N94 | D87-I91 WeakPolarHBondContact O-CD1 3.34Å; D87-I91 VanDerWaalsContact O-CG1 3.25Å; D87-I91 WeakPolarHBondContact O-CG1 3.41Å; D87-I91 PolarHBondContact O-N 3.15Å; L89-I91 PolarHBondContact O-N 2.8Å; I91-F93 PolarHBondContact O-N 3.43Å; I91-N94 PolarHBondContact O-N 2.93Å |
| 92 | H | 93.4 | Very high | 92.9 | Very high | 56 Ų | 56 | 59.2 Ų | 59.2 | 26% | 0.259 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | -179.7 | -172 | 79 | 0 | 0 | 0 | 112.5 | E88 L89 E90 F138 | E88-H92 WeakPolarHBondContact O-CB 3.36Å; E88-H92 PolarHBondContact O-N 3.15Å; L89-H92 PolarHBondContact O-N 2.89Å; E90-H92 VanDerWaalsContact C-N 3.31Å; E90-H92 PolarHBondContact O-N 3.48Å; H92-F138 HydrophobicContact CB-CD2 4.34Å; H92-F138 HydrophobicContact CB-CE2 4.39Å |
| 93 | F | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -93.6 | -5.8 | -177.9 | -73.5 | -79.8 | 0 | 0 | 0 | 114.3 | V77 L89 E90 I91 G95 C96 I119 F121 A130 L133 I143 V145 | V77-F93 HydrophobicContact CG1-CE2 4.31Å; V77-F93 HydrophobicContact CG1-CZ 4.23Å; V77-F93 HydrophobicContact CG2-CE2 3.9Å; V77-F93 HydrophobicContact CG2-CZ 3.77Å; L89-F93 HydrophobicContact CD2-CE2 4.43Å; L89-F93 VanDerWaalsContact O-CD2 3.28Å; L89-F93 WeakPolarHBondContact O-CD2 3.34Å; L89-F93 PolarHBondContact O-N 3.46Å; E90-F93 CarbonylContact O-C 3.55Å; E90-F93 PolarHBondContact O-N 2.77Å; I91-F93 PolarHBondContact O-N 3.43Å; F93-G95 PolarHBondContact O-N 3.28Å; F93-C96 WeakPolarHBondContact O-CB 3.3Å; F93-C96 PolarHBondContact O-N 3.44Å; F93-I119 HydrophobicContact CB-CD1 4.33Å; F93-I119 HydrophobicContact CD2-CD1 3.17Å; F93-I119 HydrophobicContact CE2-CD1 3.49Å; F93-I119 VanDerWaalsContact CE2-CD1 3.49Å; F93-I119 HydrophobicContact CG-CD1 3.78Å; F93-I119 HydrophobicContact CZ-CD1 4.31Å; F93-F121 HydrophobicContact CB-CE1 4.19Å; F93-F121 HydrophobicContact CB-CZ 4.09Å; F93-F121 HydrophobicContact CD1-CZ 4.28Å; F93-F121 HydrophobicContact CG-CZ 4.46Å; F93-A130 HydrophobicContact CD1-CB 4.05Å; F93-A130 HydrophobicContact CE1-CB 4.25Å; F93-L133 HydrophobicContact CD1-CD1 4.11Å; F93-L133 HydrophobicContact CE1-CB 4.44Å; F93-L133 HydrophobicContact CE1-CD1 4.2Å; F93-I143 HydrophobicContact CE2-CD1 4.32Å; F93-I143 HydrophobicContact CZ-CD1 3.9Å; F93-V145 HydrophobicContact CE1-CG1 4.34Å; F93-V145 HydrophobicContact CE1-CG2 4.05Å; F93-V145 HydrophobicContact CZ-CG2 3.84Å |
| 94 | N | 92.9 | Very high | 93.1 | Very high | 103 Ų | 103 | 55.2 Ų | 55.2 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.9 | 178.6 | -174.4 | 56.3 | 0 | 0 | 0 | 112.8 | E90 I91 C96 G97 | E90-N94 VanDerWaalsContact O-CB 3.29Å; E90-N94 WeakPolarHBondContact O-CB 3.32Å; E90-N94 PolarHBondContact O-N 2.71Å; I91-N94 PolarHBondContact O-N 2.93Å; N94-C96 PolarHBondContact O-N 3Å; N94-G97 PolarHBondContact O-N 3.22Å |
| 95 | G | 91.1 | Very high | 93 | Very high | 79 Ų | 79 | 57.9 Ų | 57.9 | 81% | 0.814 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | F93 | F93-G95 PolarHBondContact O-N 3.28Š|
| 96 | C | 92.3 | Very high | 92.8 | Very high | 21 Ų | 21 | 58.2 Ų | 58.2 | 14% | 0.142 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -29 | 177.8 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | F93 N94 T129 A130 L133 | F93-C96 WeakPolarHBondContact O-CB 3.3Å; F93-C96 PolarHBondContact O-N 3.44Å; N94-C96 PolarHBondContact O-N 3Å; C96-T129 PolarHBondContact O-OG1 3.19Å; C96-T129 VanDerWaalsContact O-OG1 3.08Å; C96-A130 HydrophobicContact CB-CB 4.23Å; C96-L133 WeakPolarHBondContact SG-CD1 3.48Å |
| 97 | G | 93.5 | Very high | 92.7 | Very high | 12 Ų | 12 | 59.2 Ų | 59.2 | 12% | 0.124 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 160.6 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | N94 V99 | N94-G97 PolarHBondContact O-N 3.22Å; G97-V99 PolarHBondContact O-N 2.98Å |
| 98 | P | 94.4 | Very high | 92.2 | Very high | 67 Ų | 67 | 63.7 Ų | 63.7 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | trans | -65.3 | 124.2 | -179.5 | 25.7 | -33.4 | 0 | 0 | 0 | 111.3 | H122 | P98-H122 HydrophobicContact CB-CB 4.33Å; P98-H122 HydrophobicContact CG-CB 3.87Å; P98-H122 PolarHBondContact O-N 2.8Å | ||
| 99 | V | 94.9 | Very high | 91.7 | Very high | 25 Ų | 25 | 70 Ų | 70 | 15% | 0.152 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 129.7 | 178.2 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | E90 G97 V102 I119 F121 | E90-V99 HydrophobicContact CG-CB 4.08Å; E90-V99 HydrophobicContact CG-CG1 4.38Å; E90-V99 HydrophobicContact CG-CG2 4.22Å; G97-V99 PolarHBondContact O-N 2.98Å; V99-V102 HydrophobicContact CG1-CG2 3.76Å; V99-I119 HydrophobicContact CG1-CG2 3.79Å; V99-I119 HydrophobicContact CG2-CG2 4.15Å; V99-F121 HydrophobicContact CG2-CD1 4.02Å; V99-F121 HydrophobicContact CG2-CE1 3.78Å |
| 100 | N | 92.1 | Very high | 91.4 | Very high | 92 Ų | 92 | 72.9 Ų | 72.9 | 49% | 0.492 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -43.7 | 174 | -169.4 | 17.3 | 0 | 0 | 0 | 110.8 | E120 | N100-E120 HydrophobicContact CB-CG 4.27Å; N100-E120 WeakPolarHBondContact CB-O 2.89Å; N100-E120 PolarHBondContact N-O 2.84Å; N100-E120 PolarHBondContact ND2-OE1 2.77Å |
| 101 | R | 90.3 | Very high | 90.8 | Very high | 80 Ų | 80 | 71.3 Ų | 71.3 | 30% | 0.302 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 138.2 | -175.6 | 178.8 | 178 | 162.5 | 169.9 | -1.1 | 112.8 | T103 E120 | R101-T103 PolarHBondContact NE-OG1 2.9Å; R101-T103 VanDerWaalsContact NE-OG1 3.1Å; R101-E120 HydrophobicContact CB-CB 4.19Å; R101-E120 PolarHBondContact N-O 3.49Å; R101-E120 VanDerWaalsContact N-O 3.15Å; R101-E120 PolarHBondContact O-N 2.76Å |
| 102 | V | 93.9 | Very high | 90.3 | Very high | 27 Ų | 27 | 71.3 Ų | 71.3 | 16% | 0.164 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 134.9 | 169.2 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | A86 L89 E90 V99 I104 I119 | A86-V102 HydrophobicContact CB-CB 4.18Å; A86-V102 HydrophobicContact CB-CG1 4.12Å; L89-V102 HydrophobicContact CB-CG1 4.21Å; L89-V102 HydrophobicContact CD1-CG1 3.97Å; E90-V102 HydrophobicContact CB-CG2 4.36Å; V99-V102 HydrophobicContact CG1-CG2 3.76Å; V102-I104 HydrophobicContact CG1-CG1 4.47Å; V102-I119 HydrophobicContact CG1-CG1 4.35Å; V102-I119 HydrophobicContact CG2-CG1 4.4Å; V102-I119 HydrophobicContact CG2-CG2 4.41Å |
| 103 | T | 92.3 | Very high | 90.1 | Very high | 41 Ų | 41 | 70.2 Ų | 70.2 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 105.8 | 177.5 | -58.2 | 0 | 0 | 0 | 0 | 110.2 | R101 L105 A117 Y118 | R101-T103 PolarHBondContact NE-OG1 2.9Å; R101-T103 VanDerWaalsContact NE-OG1 3.1Å; T103-L105 HydrophobicContact CG2-CD1 4.34Å; T103-A117 CarbonylContact O-C 3.49Å; T103-A117 VanDerWaalsContact O-CA 3.32Å; T103-A117 WeakPolarHBondContact O-CA 3.25Å; T103-Y118 PolarHBondContact N-O 3.18Å; T103-Y118 PolarHBondContact O-N 3Å |
| 104 | I | 92.9 | Very high | 89.8 | Confident | 55 Ų | 55 | 76.3 Ų | 76.3 | 28% | 0.282 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 126.5 | 174.3 | -59.3 | 173.6 | 0 | 0 | 0 | 108.6 | A84 L89 V102 A117 | A84-I104 WeakPolarHBondContact O-CD1 3.28Å; L89-I104 HydrophobicContact CD1-CD1 4.1Å; L89-I104 HydrophobicContact CD1-CG1 4.02Å; V102-I104 HydrophobicContact CG1-CG1 4.47Å; I104-A117 HydrophobicContact CG1-CB 4.17Å |
| 105 | L | 89.9 | Confident | 89.7 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 36% | 0.356 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 114.7 | -177.2 | -128.6 | 73.2 | 0 | 0 | 0 | 110.7 | T103 K114 F116 Y118 | T103-L105 HydrophobicContact CG2-CD1 4.34Å; L105-K114 VanDerWaalsContact O-CB 3.27Å; L105-K114 WeakPolarHBondContact O-CB 3.27Å; L105-K114 PolarHBondContact O-N 3.22Å; L105-F116 PolarHBondContact N-O 3.28Å; L105-Y118 HydrophobicContact CD1-CD2 4.23Å; L105-Y118 HydrophobicContact CD1-CE2 4.08Å; L105-Y118 HydrophobicContact CD2-CE2 4.26Å |
| 106 | C | 89.1 | Confident | 89.9 | Confident | 67 Ų | 67 | 71 Ų | 71 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 148.6 | 172.4 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 107 | D | 88.5 | Confident | 90 | Very high | 63 Ų | 63 | 70 Ų | 70 | 34% | 0.337 | 37% | 0.37 | S | S | . | . | trans | -67.5 | 131.9 | 170.9 | 175.6 | 33.6 | 0 | 0 | 0 | 110.1 | F109 S110 G111 H112 | D107-F109 VanDerWaalsContact C-N 3.28Å; D107-F109 PolarHBondContact O-N 2.84Å; D107-S110 WeakPolarHBondContact CB-OG 3.22Å; D107-S110 WeakPolarHBondContact OD2-CB 2.83Å; D107-S110 PolarHBondContact OD2-N 2.85Å; D107-S110 PolarHBondContact OD2-OG 2.99Å; D107-G111 WeakPolarHBondContact O-CA 3.25Å; D107-G111 PolarHBondContact O-N 3.01Å; D107-H112 PolarHBondContact N-O 3.36Å | ||
| 108 | K | 84.4 | Confident | 90.1 | Very high | 201 Ų | 201 | 73 Ų | 73 | 87% | 0.874 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -23.4 | -172.4 | -59.7 | -176.6 | -179 | -167.8 | 0 | 112.9 | ||
| 109 | F | 84.1 | Confident | 90.1 | Very high | 197 Ų | 197 | 69.8 Ų | 69.8 | 86% | 0.864 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -43.5 | -176 | -57.9 | -77.9 | 0 | 0 | 0 | 112 | D107 | D107-F109 VanDerWaalsContact C-N 3.28Å; D107-F109 PolarHBondContact O-N 2.84Å |
| 110 | S | 85.7 | Confident | 90.1 | Very high | 60 Ų | 60 | 69.8 Ų | 69.8 | 42% | 0.42 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -15.6 | -179.1 | 63.8 | 0 | 0 | 0 | 0 | 113.7 | D107 H112 | D107-S110 WeakPolarHBondContact CB-OG 3.22Å; D107-S110 WeakPolarHBondContact OD2-CB 2.83Å; D107-S110 PolarHBondContact OD2-N 2.85Å; D107-S110 PolarHBondContact OD2-OG 2.99Å; S110-H112 PolarHBondContact O-N 2.89Å; S110-H112 VanDerWaalsContact O-N 3.08Å; S110-H112 PolarHBondContact O-ND1 2.84Å; S110-H112 PolarHBondContact OG-N 3.45Å |
| 111 | G | 83 | Confident | 90.3 | Very high | 52 Ų | 52 | 65.4 Ų | 65.4 | 54% | 0.536 | 33% | 0.332 | S | S | . | . | trans | 68.5 | -3.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D107 | D107-G111 WeakPolarHBondContact O-CA 3.25Å; D107-G111 PolarHBondContact O-N 3.01Å | ||
| 112 | H | 83.8 | Confident | 90.4 | Very high | 131 Ų | 131 | 66.8 Ų | 66.8 | 61% | 0.606 | 34% | 0.341 | S | S | * | . | trans | -75.1 | 137.5 | -176.3 | -71.4 | 63.3 | 0 | 0 | 0 | 110 | D107 S110 K114 | D107-H112 PolarHBondContact N-O 3.36Å; S110-H112 PolarHBondContact O-N 2.89Å; S110-H112 VanDerWaalsContact O-N 3.08Å; S110-H112 PolarHBondContact O-ND1 2.84Å; S110-H112 PolarHBondContact OG-N 3.45Å; H112-K114 PolarHBondContact O-N 3.37Å | ||
| 113 | P | 88.3 | Confident | 90.4 | Very high | 33 Ų | 33 | 68.8 Ų | 68.8 | 21% | 0.214 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 138 | 176.4 | 13.1 | -16.8 | 0 | 0 | 0 | 110 | Y82 G115 | Y82-P113 HydrophobicContact CD1-CB 4.15Å; Y82-P113 HydrophobicContact CD1-CG 3.9Å; Y82-P113 WeakPolarHBondContact CD1-O 3.24Å; Y82-P113 WeakPolarHBondContact CE1-O 3.34Å; Y82-P113 HydrophobicContact CG-CG 4.36Å; Y82-P113 WeakPolarHBondContact O-CG 3.24Å; P113-G115 PolarHBondContact O-N 3.35Å |
| 114 | K | 88.2 | Confident | 90.3 | Very high | 129 Ų | 129 | 73.3 Ų | 73.3 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -7.7 | -176.7 | -157.4 | 176.4 | 176.5 | 176.6 | 0 | 112.6 | L105 H112 F116 | L105-K114 VanDerWaalsContact O-CB 3.27Å; L105-K114 WeakPolarHBondContact O-CB 3.27Å; L105-K114 PolarHBondContact O-N 3.22Å; H112-K114 PolarHBondContact O-N 3.37Å; K114-F116 HydrophobicContact CB-CD2 4Å; K114-F116 HydrophobicContact CD-CD2 4.12Å; K114-F116 HydrophobicContact CD-CE2 4.48Å; K114-F116 HydrophobicContact CG-CD2 3.77Å; K114-F116 HydrophobicContact CG-CE2 4.01Å; K114-F116 VanDerWaalsContact O-CD2 3.25Å; K114-F116 WeakPolarHBondContact O-CD2 3.33Å; K114-F116 VanDerWaalsContact O-CE2 3.22Å; K114-F116 WeakPolarHBondContact O-CE2 3.15Å |
| 115 | G | 91.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 76.9 Ų | 76.9 | 5% | 0.052 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.2 | 25.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N79 V80 P113 | N79-G115 PolarHBondContact N-O 2.87Å; V80-G115 PolarHBondContact N-O 3.31Å; V80-G115 WeakPolarHBondContact O-CA 3.15Å; P113-G115 PolarHBondContact O-N 3.35Å |
| 116 | F | 93.8 | Very high | 90.6 | Very high | 66 Ų | 66 | 74 Ų | 74 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 142.2 | 178.3 | -53.6 | -70.8 | 0 | 0 | 0 | 110.6 | Y76 V77 L105 K114 | Y76-F116 HydrophobicContact CE1-CD1 4.46Å; Y76-F116 HydrophobicContact CE2-CB 3.97Å; Y76-F116 AromaticContact CE2-CD1 3.67Å; Y76-F116 HydrophobicContact CE2-CD1 3.67Å; Y76-F116 HydrophobicContact CE2-CG 4.01Å; Y76-F116 AromaticContact CZ-CD1 3.42Å; Y76-F116 VanDerWaalsContact CZ-CD1 3.42Å; Y76-F116 AromaticContact CZ-CE1 3.91Å; Y76-F116 WeakPolarHBondContact OH-CD1 3.49Å; Y76-F116 WeakPolarHBondContact OH-CE1 3.44Å; V77-F116 CarbonylContact O-C 3.57Å; V77-F116 VanDerWaalsContact O-CA 3.3Å; V77-F116 WeakPolarHBondContact O-CA 3.25Å; L105-F116 PolarHBondContact N-O 3.28Å; K114-F116 HydrophobicContact CB-CD2 4Å; K114-F116 HydrophobicContact CD-CD2 4.12Å; K114-F116 HydrophobicContact CD-CE2 4.48Å; K114-F116 HydrophobicContact CG-CD2 3.77Å; K114-F116 HydrophobicContact CG-CE2 4.01Å; K114-F116 VanDerWaalsContact O-CD2 3.25Å; K114-F116 WeakPolarHBondContact O-CD2 3.33Å; K114-F116 VanDerWaalsContact O-CE2 3.22Å; K114-F116 WeakPolarHBondContact O-CE2 3.15Å |
| 117 | A | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 155 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V77 L89 T103 I104 | V77-A117 PolarHBondContact N-O 2.81Å; V77-A117 PolarHBondContact O-N 3.34Å; L89-A117 HydrophobicContact CD1-CB 3.76Å; T103-A117 CarbonylContact O-C 3.49Å; T103-A117 VanDerWaalsContact O-CA 3.32Å; T103-A117 WeakPolarHBondContact O-CA 3.25Å; I104-A117 HydrophobicContact CG1-CB 4.17Å |
| 118 | Y | 95.1 | Very high | 91.1 | Very high | 73 Ų | 73 | 75.6 Ų | 75.6 | 29% | 0.286 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.4 | 166.6 | -62.4 | -72.1 | 0 | 0 | 0 | 109.1 | V75 Y76 T103 L105 K148 | V75-Y118 WeakPolarHBondContact O-CA 3.37Å; Y76-Y118 HydrophobicContact CD2-CD1 4.41Å; Y76-Y118 AromaticContact CD2-CE1 3.77Å; Y76-Y118 HydrophobicContact CD2-CE1 3.77Å; Y76-Y118 HydrophobicContact CG-CE1 4.44Å; T103-Y118 PolarHBondContact N-O 3.18Å; T103-Y118 PolarHBondContact O-N 3Å; L105-Y118 HydrophobicContact CD1-CD2 4.23Å; L105-Y118 HydrophobicContact CD1-CE2 4.08Å; L105-Y118 HydrophobicContact CD2-CE2 4.26Å; Y118-K148 HydrophobicContact CD1-CB 4.48Å; Y118-K148 HydrophobicContact CD1-CD 3.84Å; Y118-K148 HydrophobicContact CD1-CG 3.84Å; Y118-K148 HydrophobicContact CE1-CD 4.3Å; Y118-K148 HydrophobicContact CE1-CG 3.92Å; Y118-K148 HydrophobicContact CG-CD 4.43Å |
| 119 | I | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 119.8 | 176.7 | -56.3 | 177.8 | 0 | 0 | 0 | 106.8 | S74 V75 V77 L89 F93 V99 V102 F121 | S74-I119 CarbonylContact C-O 3.5Å; S74-I119 WeakPolarHBondContact CA-O 3.23Å; V75-I119 HydrophobicContact CG2-CB 3.77Å; V75-I119 PolarHBondContact N-O 2.8Å; V75-I119 PolarHBondContact O-N 2.86Å; V77-I119 HydrophobicContact CG2-CD1 3.75Å; V77-I119 HydrophobicContact CG2-CG1 4.17Å; L89-I119 HydrophobicContact CB-CD1 4.33Å; F93-I119 HydrophobicContact CB-CD1 4.33Å; F93-I119 HydrophobicContact CD2-CD1 3.17Å; F93-I119 HydrophobicContact CE2-CD1 3.49Å; F93-I119 VanDerWaalsContact CE2-CD1 3.49Å; F93-I119 HydrophobicContact CG-CD1 3.78Å; F93-I119 HydrophobicContact CZ-CD1 4.31Å; V99-I119 HydrophobicContact CG1-CG2 3.79Å; V99-I119 HydrophobicContact CG2-CG2 4.15Å; V102-I119 HydrophobicContact CG1-CG1 4.35Å; V102-I119 HydrophobicContact CG2-CG1 4.4Å; V102-I119 HydrophobicContact CG2-CG2 4.41Å; I119-F121 HydrophobicContact CG2-CE1 4.12Å; I119-F121 HydrophobicContact CG2-CE2 4.21Å; I119-F121 HydrophobicContact CG2-CZ 3.91Å |
| 120 | E | 94.5 | Very high | 92.1 | Very high | 25 Ų | 25 | 59.7 Ų | 59.7 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.2 | 174.4 | -174.1 | -174.6 | 144.9 | 0 | 0 | 108.5 | N100 R101 | N100-E120 HydrophobicContact CB-CG 4.27Å; N100-E120 WeakPolarHBondContact CB-O 2.89Å; N100-E120 PolarHBondContact N-O 2.84Å; N100-E120 PolarHBondContact ND2-OE1 2.77Å; R101-E120 HydrophobicContact CB-CB 4.19Å; R101-E120 PolarHBondContact N-O 3.49Å; R101-E120 VanDerWaalsContact N-O 3.15Å; R101-E120 PolarHBondContact O-N 2.76Å |
| 121 | F | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 160.7 | 174.8 | -65.2 | -76.4 | 0 | 0 | 0 | 111.3 | R73 V75 F93 V99 I119 D123 V127 A130 | R73-F121 PolarHBondContact O-N 2.95Å; V75-F121 HydrophobicContact CB-CE2 4.39Å; V75-F121 HydrophobicContact CG1-CE2 3.96Å; V75-F121 HydrophobicContact CG2-CD2 4.48Å; V75-F121 HydrophobicContact CG2-CE2 3.57Å; V75-F121 HydrophobicContact CG2-CZ 4.24Å; F93-F121 HydrophobicContact CB-CE1 4.19Å; F93-F121 HydrophobicContact CB-CZ 4.09Å; F93-F121 HydrophobicContact CD1-CZ 4.28Å; F93-F121 HydrophobicContact CG-CZ 4.46Å; V99-F121 HydrophobicContact CG2-CD1 4.02Å; V99-F121 HydrophobicContact CG2-CE1 3.78Å; I119-F121 HydrophobicContact CG2-CE1 4.12Å; I119-F121 HydrophobicContact CG2-CE2 4.21Å; I119-F121 HydrophobicContact CG2-CZ 3.91Å; F121-D123 VanDerWaalsContact C-N 3.35Å; F121-V127 HydrophobicContact CD2-CG2 4.2Å; F121-A130 HydrophobicContact CE2-CB 3.75Å; F121-A130 HydrophobicContact CZ-CB 3.76Å |
| 122 | H | 93.3 | Very high | 93 | Very high | 109 Ų | 109 | 62.9 Ų | 62.9 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -67.4 | -39.4 | 171.5 | -164.5 | -83.3 | 0 | 0 | 0 | 111.7 | R73 P98 | R73-H122 WeakPolarHBondContact CD-O 3.24Å; R73-H122 PolarHBondContact NH1-O 2.81Å; P98-H122 HydrophobicContact CB-CB 4.33Å; P98-H122 HydrophobicContact CG-CB 3.87Å; P98-H122 PolarHBondContact O-N 2.8Å |
| 123 | D | 93.4 | Very high | 93.4 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -115.1 | 151.1 | -173 | -54.2 | -41.3 | 0 | 0 | 0 | 111.8 | F121 | F121-D123 VanDerWaalsContact C-N 3.35Š|
| 124 | R | 91.7 | Very high | 93.7 | Very high | 135 Ų | 135 | 60 Ų | 60 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -71.7 | -32 | 177.3 | -71.8 | -175.3 | -179.7 | -161.8 | 4.7 | 112.5 | D69 R73 S126 V127 | D69-R124 IonicContact OD1-CZ 3.51Å; D69-R124 IonicContact OD1-NE 2.72Å; D69-R124 PolarHBondContact OD1-NE 3.14Å; D69-R124 IonicContact OD1-NH2 3.09Å; D69-R124 PolarHBondContact OD1-NH2 3.11Å; R73-R124 HydrophobicContact CG-CB 4.36Å; R73-R124 HydrophobicContact CG-CG 3.39Å; R124-S126 PolarHBondContact O-N 3.15Å; R124-V127 VanDerWaalsContact O-CB 3.27Å; R124-V127 WeakPolarHBondContact O-CB 3.26Å; R124-V127 PolarHBondContact O-N 2.66Å; R124-V127 VanDerWaalsContact O-N 3.16Å |
| 125 | D | 93.3 | Very high | 94 | Very high | 131 Ų | 131 | 61 Ų | 61 | 70% | 0.701 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.3 | -32.4 | -178.8 | -61.8 | -32.9 | 0 | 0 | 0 | 111.6 | V127 Q128 T129 | D125-V127 PolarHBondContact O-N 3.1Å; D125-Q128 PolarHBondContact O-N 3.4Å; D125-T129 PolarHBondContact O-N 2.89Å; D125-T129 PolarHBondContact O-OG1 2.97Å |
| 126 | S | 94.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 6% | 0.056 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57 | -31.1 | 175.5 | -52.1 | 0 | 0 | 0 | 0 | 112.9 | R124 Q128 T129 A130 | R124-S126 PolarHBondContact O-N 3.15Å; S126-Q128 VanDerWaalsContact C-N 3.34Å; S126-Q128 PolarHBondContact O-N 2.66Å; S126-T129 VanDerWaalsContact C-OG1 3.29Å; S126-T129 VanDerWaalsContact CA-OG1 3.25Å; S126-T129 WeakPolarHBondContact CA-OG1 3.22Å; S126-T129 PolarHBondContact O-OG1 3.5Å; S126-A130 VanDerWaalsContact O-CB 3.24Å; S126-A130 WeakPolarHBondContact O-CB 3.05Å; S126-A130 PolarHBondContact O-N 2.72Å |
| 127 | V | 93.9 | Very high | 94.1 | Very high | 14 Ų | 14 | 63.9 Ų | 63.9 | 9% | 0.085 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 176.2 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | R73 V75 F121 R124 D125 A130 M131 P147 | R73-V127 VanDerWaalsContact C-CG2 3.47Å; R73-V127 WeakPolarHBondContact O-CG2 3.43Å; V75-V127 HydrophobicContact CG1-CB 4.27Å; V75-V127 HydrophobicContact CG1-CG1 3.74Å; V75-V127 HydrophobicContact CG1-CG2 4.43Å; F121-V127 HydrophobicContact CD2-CG2 4.2Å; R124-V127 VanDerWaalsContact O-CB 3.27Å; R124-V127 WeakPolarHBondContact O-CB 3.26Å; R124-V127 PolarHBondContact O-N 2.66Å; R124-V127 VanDerWaalsContact O-N 3.16Å; D125-V127 PolarHBondContact O-N 3.1Å; V127-A130 PolarHBondContact O-N 3.5Å; V127-M131 WeakPolarHBondContact O-CG 2.9Å; V127-M131 PolarHBondContact O-N 2.94Å; V127-P147 HydrophobicContact CG1-CB 4.44Å |
| 128 | Q | 93.7 | Very high | 94 | Very high | 148 Ų | 148 | 64.6 Ų | 64.6 | 69% | 0.692 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -72.4 | -36.8 | -176.9 | -172.5 | 151.4 | -1 | 0 | 0 | 112 | D125 S126 M131 S132 | D125-Q128 PolarHBondContact O-N 3.4Å; S126-Q128 VanDerWaalsContact C-N 3.34Å; S126-Q128 PolarHBondContact O-N 2.66Å; Q128-M131 PolarHBondContact O-N 2.86Å; Q128-S132 PolarHBondContact O-OG 2.82Å |
| 129 | T | 94.5 | Very high | 93.7 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 170.6 | 43.8 | 0 | 0 | 0 | 0 | 111.9 | C96 D125 S126 M131 S132 | C96-T129 PolarHBondContact O-OG1 3.19Å; C96-T129 VanDerWaalsContact O-OG1 3.08Å; D125-T129 PolarHBondContact O-N 2.89Å; D125-T129 PolarHBondContact O-OG1 2.97Å; S126-T129 VanDerWaalsContact C-OG1 3.29Å; S126-T129 VanDerWaalsContact CA-OG1 3.25Å; S126-T129 WeakPolarHBondContact CA-OG1 3.22Å; S126-T129 PolarHBondContact O-OG1 3.5Å; T129-M131 VanDerWaalsContact C-N 3.3Å; T129-M131 PolarHBondContact O-N 3.13Å; T129-S132 VanDerWaalsContact O-CB 3.24Å; T129-S132 WeakPolarHBondContact O-CB 3.48Å; T129-S132 PolarHBondContact O-N 3.16Å |
| 130 | A | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.4 | -35 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | V75 F93 C96 F121 S126 V127 S132 L133 V145 | V75-A130 HydrophobicContact CG1-CB 4.08Å; F93-A130 HydrophobicContact CD1-CB 4.05Å; F93-A130 HydrophobicContact CE1-CB 4.25Å; C96-A130 HydrophobicContact CB-CB 4.23Å; F121-A130 HydrophobicContact CE2-CB 3.75Å; F121-A130 HydrophobicContact CZ-CB 3.76Å; S126-A130 VanDerWaalsContact O-CB 3.24Å; S126-A130 WeakPolarHBondContact O-CB 3.05Å; S126-A130 PolarHBondContact O-N 2.72Å; V127-A130 PolarHBondContact O-N 3.5Å; A130-S132 PolarHBondContact O-N 2.72Å; A130-L133 WeakPolarHBondContact O-CB 3.38Å; A130-L133 PolarHBondContact O-N 3.45Å; A130-V145 WeakPolarHBondContact O-CG1 3.4Å |
| 131 | M | 94.8 | Very high | 93.4 | Very high | 82 Ų | 82 | 74.9 Ų | 74.9 | 40% | 0.404 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.6 | -22.8 | 171.6 | -73.9 | -179.1 | 66.6 | 0 | 0 | 113.4 | V127 Q128 T129 L133 D134 P147 | V127-M131 WeakPolarHBondContact O-CG 2.9Å; V127-M131 PolarHBondContact O-N 2.94Å; Q128-M131 PolarHBondContact O-N 2.86Å; T129-M131 VanDerWaalsContact C-N 3.3Å; T129-M131 PolarHBondContact O-N 3.13Å; M131-L133 PolarHBondContact O-N 3.21Å; M131-D134 WeakPolarHBondContact O-CB 3.27Å; M131-D134 PolarHBondContact O-N 3.46Å; M131-P147 HydrophobicContact CE-CG 4.47Å; M131-P147 HydrophobicContact SD-CB 4.44Å; M131-P147 HydrophobicContact SD-CG 4.2Å |
| 132 | S | 94.5 | Very high | 93.4 | Very high | 96 Ų | 96 | 78.5 Ų | 78.5 | 67% | 0.671 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -13.8 | 175.1 | -53.3 | 0 | 0 | 0 | 0 | 112.6 | Q128 T129 A130 D134 | Q128-S132 PolarHBondContact O-OG 2.82Å; T129-S132 VanDerWaalsContact O-CB 3.24Å; T129-S132 WeakPolarHBondContact O-CB 3.48Å; T129-S132 PolarHBondContact O-N 3.16Å; A130-S132 PolarHBondContact O-N 2.72Å; S132-D134 VanDerWaalsContact C-N 3.29Å |
| 133 | L | 92.3 | Very high | 93.6 | Very high | 47 Ų | 47 | 73.4 Ų | 73.4 | 25% | 0.246 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 12.9 | 171.2 | -59.9 | -177.4 | 0 | 0 | 0 | 112.8 | F93 C96 A130 M131 T136 | F93-L133 HydrophobicContact CD1-CD1 4.11Å; F93-L133 HydrophobicContact CE1-CB 4.44Å; F93-L133 HydrophobicContact CE1-CD1 4.2Å; C96-L133 WeakPolarHBondContact SG-CD1 3.48Å; A130-L133 WeakPolarHBondContact O-CB 3.38Å; A130-L133 PolarHBondContact O-N 3.45Å; M131-L133 PolarHBondContact O-N 3.21Å; L133-T136 HydrophobicContact CB-CG2 4.08Å; L133-T136 HydrophobicContact CD2-CG2 4.19Å; L133-T136 WeakPolarHBondContact O-CB 3.26Å; L133-T136 VanDerWaalsContact O-CG2 3.24Å; L133-T136 WeakPolarHBondContact O-CG2 3.11Å; L133-T136 PolarHBondContact O-N 3.02Å; L133-T136 PolarHBondContact O-OG1 2.87Å |
| 134 | D | 94.5 | Very high | 93.7 | Very high | 57 Ų | 57 | 75.3 Ų | 75.3 | 31% | 0.305 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 143.5 | 169.9 | -169.2 | 42.4 | 0 | 0 | 0 | 110.5 | M131 S132 T136 K144 V145 | M131-D134 WeakPolarHBondContact O-CB 3.27Å; M131-D134 PolarHBondContact O-N 3.46Å; S132-D134 VanDerWaalsContact C-N 3.29Å; D134-T136 PolarHBondContact O-N 3.2Å; D134-K144 WeakPolarHBondContact OD1-CA 3.48Å; D134-V145 HydrophobicContact CB-CB 4.34Å; D134-V145 PolarHBondContact OD1-N 3.27Å |
| 135 | E | 93.8 | Very high | 93.9 | Very high | 149 Ų | 149 | 69 Ų | 69 | 70% | 0.696 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 18.7 | -177.9 | -51.8 | -172.9 | 156.5 | 0 | 0 | 115.7 | V142 I143 | E135-V142 HydrophobicContact CB-CG1 4.1Å; E135-I143 VanDerWaalsContact CA-O 3.32Å; E135-I143 WeakPolarHBondContact CA-O 3.35Å; E135-I143 PolarHBondContact N-O 3.48Å; E135-I143 VanDerWaalsContact N-O 3.09Å |
| 136 | T | 93.7 | Very high | 93.9 | Very high | 37 Ų | 37 | 66 Ų | 66 | 23% | 0.227 | 34% | 0.342 | C | S | . | . | trans | -77.5 | 157.5 | 171.2 | 57.4 | 0 | 0 | 0 | 0 | 112 | L133 D134 V142 I143 | L133-T136 HydrophobicContact CB-CG2 4.08Å; L133-T136 HydrophobicContact CD2-CG2 4.19Å; L133-T136 WeakPolarHBondContact O-CB 3.26Å; L133-T136 VanDerWaalsContact O-CG2 3.24Å; L133-T136 WeakPolarHBondContact O-CG2 3.11Å; L133-T136 PolarHBondContact O-N 3.02Å; L133-T136 PolarHBondContact O-OG1 2.87Å; D134-T136 PolarHBondContact O-N 3.2Å; T136-V142 CarbonylContact O-C 3.59Å; T136-V142 WeakPolarHBondContact O-CA 3.1Å; T136-I143 VanDerWaalsContact O-CG1 3.32Å; T136-I143 WeakPolarHBondContact O-CG1 3.5Å; T136-I143 PolarHBondContact O-N 3.42Å | ||
| 137 | V | 93.7 | Very high | 93.9 | Very high | 96 Ų | 96 | 68.7 Ų | 68.7 | 58% | 0.582 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 125.2 | 178.3 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | V142 | V137-V142 HydrophobicContact CG2-CG2 4.24Å |
| 138 | F | 93.1 | Very high | 93.8 | Very high | 14 Ų | 14 | 70.1 Ų | 70.1 | 6% | 0.061 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 118.9 | 172.9 | 175.9 | -93.5 | 0 | 0 | 0 | 109 | V80 A84 E88 L89 H92 D140 R141 I143 | V80-F138 HydrophobicContact CG1-CE1 4.2Å; A84-F138 HydrophobicContact CB-CE1 3.7Å; A84-F138 HydrophobicContact CB-CZ 4.13Å; E88-F138 HydrophobicContact CB-CE2 4.15Å; E88-F138 HydrophobicContact CB-CZ 3.9Å; L89-F138 HydrophobicContact CD2-CE1 4.25Å; L89-F138 HydrophobicContact CD2-CE2 4.28Å; L89-F138 HydrophobicContact CD2-CZ 4.02Å; L89-F138 HydrophobicContact CG-CZ 4.44Å; H92-F138 HydrophobicContact CB-CD2 4.34Å; H92-F138 HydrophobicContact CB-CE2 4.39Å; F138-D140 VanDerWaalsContact C-N 3.31Å; F138-D140 PolarHBondContact O-N 3.22Å; F138-R141 PolarHBondContact N-O 3.37Å; F138-R141 PolarHBondContact O-N 3.47Å; F138-I143 HydrophobicContact CB-CD1 4.34Å; F138-I143 HydrophobicContact CB-CG1 4.37Å; F138-I143 HydrophobicContact CB-CG2 3.7Å; F138-I143 HydrophobicContact CD1-CG2 4.42Å; F138-I143 HydrophobicContact CG-CG2 4.38Å |
| 139 | R | 88.3 | Confident | 93.2 | Very high | 90 Ų | 90 | 71.1 Ų | 71.1 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.5 | 55.5 | -177.9 | -57.8 | 179.7 | 50 | 165.5 | -8.2 | 112.8 | E81 G83 E88 R141 | E81-R139 HydrophobicContact CB-CB 4.5Å; E81-R139 IonicContact OE1-CZ 3.97Å; E81-R139 IonicContact OE1-NE 3.02Å; E81-R139 IonicContact OE1-NH2 3.82Å; E81-R139 PolarHBondContact OE1-NH2 2.86Å; E81-R139 WeakPolarHBondContact OE2-CB 3.31Å; E81-R139 WeakPolarHBondContact OE2-CD 3.41Å; E81-R139 IonicContact OE2-CZ 3.02Å; E81-R139 VanDerWaalsContact OE2-CZ 3.31Å; E81-R139 IonicContact OE2-NE 3.25Å; E81-R139 PolarHBondContact OE2-NE 3.28Å; E81-R139 IonicContact OE2-NH2 3.31Å; E81-R139 PolarHBondContact OE2-NH2 2.91Å; G83-R139 PolarHBondContact O-NH1 2.91Å; E88-R139 VanDerWaalsContact CD-NH1 3.28Å; E88-R139 IonicContact OE1-CZ 2.82Å; E88-R139 IonicContact OE1-NH1 2.63Å; E88-R139 PolarHBondContact OE1-NH1 2.98Å; E88-R139 WeakPolarHBondContact OE2-CD 3.46Å; E88-R139 IonicContact OE2-CZ 3.43Å; E88-R139 IonicContact OE2-NE 3.38Å; E88-R139 IonicContact OE2-NH1 2.66Å; E88-R139 PolarHBondContact OE2-NH1 2.95Å; R139-R141 PolarHBondContact O-N 3.35Å; R139-R141 VanDerWaalsContact O-N 3.15Å |
| 140 | D | 91.6 | Very high | 92.4 | Very high | 161 Ų | 161 | 69.5 Ų | 69.5 | 86% | 0.861 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 9 | 179.8 | -52.7 | -40 | 0 | 0 | 0 | 116.5 | F138 | F138-D140 VanDerWaalsContact C-N 3.31Å; F138-D140 PolarHBondContact O-N 3.22Å |
| 141 | R | 92.9 | Very high | 91 | Very high | 64 Ų | 64 | 76.6 Ų | 76.6 | 24% | 0.242 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.8 | 175.1 | -63.5 | 178.3 | 69.3 | 164.9 | 0.3 | 110.6 | N79 F138 R139 I143 | N79-R141 PolarHBondContact O-NE 3.22Å; N79-R141 PolarHBondContact OD1-NH2 2.65Å; F138-R141 PolarHBondContact N-O 3.37Å; F138-R141 PolarHBondContact O-N 3.47Å; R139-R141 PolarHBondContact O-N 3.35Å; R139-R141 VanDerWaalsContact O-N 3.15Å; R141-I143 PolarHBondContact O-N 3.17Å |
| 142 | V | 95.7 | Very high | 89.3 | Confident | 75 Ų | 75 | 76.5 Ų | 76.5 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 116.9 | 172.4 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | N79 E135 T136 V137 | N79-V142 PolarHBondContact ND2-O 3.1Å; E135-V142 HydrophobicContact CB-CG1 4.1Å; T136-V142 CarbonylContact O-C 3.59Å; T136-V142 WeakPolarHBondContact O-CA 3.1Å; V137-V142 HydrophobicContact CG2-CG2 4.24Å |
| 143 | I | 95.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | trans | -85.3 | 154.6 | 178.3 | 55.2 | 164.9 | 0 | 0 | 0 | 111 | V77 G78 F93 E135 T136 F138 R141 V145 | V77-I143 HydrophobicContact CG1-CB 4.18Å; V77-I143 HydrophobicContact CG1-CD1 4.14Å; V77-I143 HydrophobicContact CG1-CG2 4.43Å; G78-I143 WeakPolarHBondContact O-CA 3.3Å; F93-I143 HydrophobicContact CE2-CD1 4.32Å; F93-I143 HydrophobicContact CZ-CD1 3.9Å; E135-I143 VanDerWaalsContact CA-O 3.32Å; E135-I143 WeakPolarHBondContact CA-O 3.35Å; E135-I143 PolarHBondContact N-O 3.48Å; E135-I143 VanDerWaalsContact N-O 3.09Å; T136-I143 VanDerWaalsContact O-CG1 3.32Å; T136-I143 WeakPolarHBondContact O-CG1 3.5Å; T136-I143 PolarHBondContact O-N 3.42Å; F138-I143 HydrophobicContact CB-CD1 4.34Å; F138-I143 HydrophobicContact CB-CG1 4.37Å; F138-I143 HydrophobicContact CB-CG2 3.7Å; F138-I143 HydrophobicContact CD1-CG2 4.42Å; F138-I143 HydrophobicContact CG-CG2 4.38Å; R141-I143 PolarHBondContact O-N 3.17Å; I143-V145 HydrophobicContact CD1-CG2 4.1Å | ||
| 144 | K | 95.8 | Very high | 85.8 | Confident | 111 Ų | 111 | 78.6 Ų | 78.6 | 48% | 0.483 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 121.5 | 175 | -176 | 169.3 | -169.6 | 167.9 | 0 | 110 | V77 G78 D134 L146 | V77-K144 CarbonylContact C-O 3.56Å; V77-K144 WeakPolarHBondContact CA-O 3.36Å; G78-K144 PolarHBondContact N-O 3.36Å; G78-K144 PolarHBondContact O-N 2.63Å; D134-K144 WeakPolarHBondContact OD1-CA 3.48Å; K144-L146 HydrophobicContact CD-CD1 4.49Å; K144-L146 HydrophobicContact CG-CG 4.34Å |
| 145 | V | 95.8 | Very high | 84.1 | Confident | 2 Ų | 2 | 81.2 Ų | 81.2 | 1% | 0.012 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.3 | -178.3 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | V75 Y76 F93 A130 D134 I143 | V75-V145 HydrophobicContact CB-CG1 4.21Å; V75-V145 HydrophobicContact CG1-CG1 4.43Å; Y76-V145 WeakPolarHBondContact O-CA 3.33Å; F93-V145 HydrophobicContact CE1-CG1 4.34Å; F93-V145 HydrophobicContact CE1-CG2 4.05Å; F93-V145 HydrophobicContact CZ-CG2 3.84Å; A130-V145 WeakPolarHBondContact O-CG1 3.4Å; D134-V145 HydrophobicContact CB-CB 4.34Å; D134-V145 PolarHBondContact OD1-N 3.27Å; I143-V145 HydrophobicContact CD1-CG2 4.1Å |
| 146 | L | 94.8 | Very high | 82.2 | Confident | 68 Ų | 68 | 78.5 Ų | 78.5 | 36% | 0.356 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 155.1 | 177 | -64.3 | 174.8 | 0 | 0 | 0 | 109.7 | V75 Y76 K144 K148 | V75-L146 CarbonylContact C-O 3.55Å; V75-L146 WeakPolarHBondContact CA-O 3.15Å; Y76-L146 HydrophobicContact CD1-CB 4.03Å; Y76-L146 HydrophobicContact CD1-CD1 4.17Å; Y76-L146 HydrophobicContact CD1-CG 4.37Å; Y76-L146 HydrophobicContact CE1-CD1 4.35Å; Y76-L146 PolarHBondContact N-O 3.38Å; Y76-L146 PolarHBondContact O-N 2.66Å; K144-L146 HydrophobicContact CD-CD1 4.49Å; K144-L146 HydrophobicContact CG-CG 4.34Å; L146-K148 PolarHBondContact O-N 3.28Å |
| 147 | P | 93.2 | Very high | 80.4 | Confident | 64 Ų | 64 | 80.4 Ų | 80.4 | 42% | 0.416 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 140.6 | 168.6 | 26.1 | -32.8 | 0 | 0 | 0 | 110.1 | V127 M131 R149 | V127-P147 HydrophobicContact CG1-CB 4.44Å; M131-P147 HydrophobicContact CE-CG 4.47Å; M131-P147 HydrophobicContact SD-CB 4.44Å; M131-P147 HydrophobicContact SD-CG 4.2Å; P147-R149 PolarHBondContact O-N 3.43Å |
| 148 | K | 91.7 | Very high | 78.6 | Confident | 44 Ų | 44 | 79.1 Ų | 79.1 | 19% | 0.191 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 137.2 | 176.6 | -174.3 | -179.1 | -178.1 | -170 | 0 | 109 | D71 S74 Y118 L146 T150 | D71-K148 HydrophobicContact CB-CD 4.36Å; D71-K148 WeakPolarHBondContact OD1-CE 3.42Å; D71-K148 IonicContact OD1-NZ 3.32Å; D71-K148 PolarHBondContact OD1-NZ 2.79Å; S74-K148 VanDerWaalsContact O-CB 3.22Å; S74-K148 WeakPolarHBondContact O-CB 3.4Å; S74-K148 PolarHBondContact O-N 2.74Å; Y118-K148 HydrophobicContact CD1-CB 4.48Å; Y118-K148 HydrophobicContact CD1-CD 3.84Å; Y118-K148 HydrophobicContact CD1-CG 3.84Å; Y118-K148 HydrophobicContact CE1-CD 4.3Å; Y118-K148 HydrophobicContact CE1-CG 3.92Å; Y118-K148 HydrophobicContact CG-CD 4.43Å; L146-K148 PolarHBondContact O-N 3.28Å; K148-T150 PolarHBondContact O-N 2.72Å |
| 149 | R | 82.9 | Confident | 76.8 | Confident | 170 Ų | 170 | 84.8 Ų | 84.8 | 64% | 0.642 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 118.1 | 176 | -67.9 | -178.5 | 175.2 | -155.2 | -6.4 | 109.3 | P147 N151 | P147-R149 PolarHBondContact O-N 3.43Å; R149-N151 PolarHBondContact O-N 3.1Å |
| 150 | T | 77.1 | Confident | 75.2 | Confident | 30 Ų | 30 | 91.4 Ų | 91.4 | 18% | 0.184 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 122.6 | 167 | 50.9 | 0 | 0 | 0 | 0 | 109.1 | I68 D71 N72 K148 M152 | I68-T150 HydrophobicContact CG2-CG2 4.29Å; D71-T150 HydrophobicContact CB-CG2 3.66Å; N72-T150 VanDerWaalsContact OD1-CG2 3.3Å; N72-T150 WeakPolarHBondContact OD1-CG2 3.41Å; K148-T150 PolarHBondContact O-N 2.72Å; T150-M152 PolarHBondContact O-N 3.34Å |
| 151 | N | 64 | Low | 73 | Confident | 149 Ų | 149 | 85.3 Ų | 85.3 | 80% | 0.797 | 46% | 0.464 | S | S | * | . | trans | -80.9 | 67.6 | 175.9 | -157.1 | 8.4 | 0 | 0 | 0 | 109.6 | R149 P153 | R149-N151 PolarHBondContact O-N 3.1Å; N151-P153 VanDerWaalsContact O-CD 3.31Å; N151-P153 WeakPolarHBondContact O-CD 3.27Å | ||
| 152 | M | 59.9 | Low | 71 | Confident | 80 Ų | 80 | 90 Ų | 90 | 39% | 0.394 | 49% | 0.491 | S | S | . | . | trans | -70.4 | 115.9 | 176.5 | -73.9 | -115.4 | -83.3 | 0 | 0 | 109 | I68 T150 G154 I155 | I68-M152 HydrophobicContact CD1-SD 4.13Å; T150-M152 PolarHBondContact O-N 3.34Å; M152-G154 PolarHBondContact O-N 2.92Å; M152-G154 VanDerWaalsContact O-N 3.11Å; M152-I155 PolarHBondContact O-N 3.24Å | ||
| 153 | P | 55.4 | Low | 68.8 | Low | 106 Ų | 106 | 94.8 Ų | 94.8 | 69% | 0.688 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 119 | 178.1 | 24.6 | -31.9 | 0 | 0 | 0 | 109.5 | N151 | N151-P153 VanDerWaalsContact O-CD 3.31Å; N151-P153 WeakPolarHBondContact O-CD 3.27Å |
| 154 | G | 58.2 | Low | 66.6 | Low | 81 Ų | 81 | 106.4 Ų | 106.4 | 84% | 0.835 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.7 | -12.7 | 176 | 0 | 0 | 0 | 0 | 0 | 116.3 | M152 | M152-G154 PolarHBondContact O-N 2.92Å; M152-G154 VanDerWaalsContact O-N 3.11Å |
| 155 | I | 58.8 | Low | 64.4 | Low | 113 Ų | 113 | 104.4 Ų | 104.4 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | trans | -127.9 | 87.4 | 174.8 | -57.3 | 167 | 0 | 0 | 0 | 107.5 | M152 T157 | M152-I155 PolarHBondContact O-N 3.24Å; I155-T157 PolarHBondContact O-N 3.1Å; I155-T157 VanDerWaalsContact O-N 3.13Å | ||
| 156 | S | 54 | Low | 62 | Low | 91 Ų | 91 | 108.8 Ų | 108.8 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | trans | -72 | 106.3 | 170.5 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | T158 | S156-T158 PolarHBondContact O-N 3.47Å; S156-T158 WeakPolarHBondContact OG-CB 3.31Å; S156-T158 PolarHBondContact OG-N 3.17Å; S156-T158 PolarHBondContact OG-OG1 2.92Å | ||
| 157 | T | 56.1 | Low | 59.8 | Low | 77 Ų | 77 | 116.8 Ų | 116.8 | 47% | 0.472 | 63% | 0.625 | S | S | . | * | trans | -65.4 | 17.9 | 164.5 | -38.8 | 0 | 0 | 0 | 0 | 111.9 | I155 D159 | I155-T157 PolarHBondContact O-N 3.1Å; I155-T157 VanDerWaalsContact O-N 3.13Å; T157-D159 PolarHBondContact O-N 3.4Å | ||
| 158 | T | 55.9 | Low | 57.6 | Low | 69 Ų | 69 | 118.9 Ų | 118.9 | 42% | 0.423 | 64% | 0.641 | S | S | . | * | trans | -72.1 | 70.4 | 158.8 | -49.5 | 0 | 0 | 0 | 0 | 107.4 | S156 R160 | S156-T158 PolarHBondContact O-N 3.47Å; S156-T158 WeakPolarHBondContact OG-CB 3.31Å; S156-T158 PolarHBondContact OG-N 3.17Å; S156-T158 PolarHBondContact OG-OG1 2.92Å; T158-R160 HydrophobicContact CG2-CB 4.24Å; T158-R160 HydrophobicContact CG2-CG 3.83Å; T158-R160 PolarHBondContact O-N 3.24Å | ||
| 159 | D | 55.4 | Low | 55.4 | Low | 134 Ų | 134 | 128.2 Ų | 128.2 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | trans | -65.4 | 69.6 | 153.8 | -94.2 | -53.2 | 0 | 0 | 0 | 108.5 | T157 | T157-D159 PolarHBondContact O-N 3.4Š| ||
| 160 | R | 53.4 | Low | 53.5 | Low | 229 Ų | 229 | 123.8 Ų | 123.8 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -87.4 | 47.9 | 141 | -67.3 | -170.3 | -158.9 | 159.3 | 4.8 | 108.1 | T158 | T158-R160 HydrophobicContact CG2-CB 4.24Å; T158-R160 HydrophobicContact CG2-CG 3.83Å; T158-R160 PolarHBondContact O-N 3.24Å |
| 161 | G | 45.5 | Very low | 52 | Low | 33 Ų | 33 | 134.1 Ų | 134.1 | 34% | 0.34 | 72% | 0.718 | S | S | . | * | trans | 49.3 | 111.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | H163 | G161-H163 PolarHBondContact O-N 2.82Š| ||
| 162 | I | 50.8 | Low | 51 | Low | 161 Ų | 161 | 130.5 Ų | 130.5 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 25.2 | 148.2 | -69.1 | 171.6 | 0 | 0 | 0 | 111.2 | ||
| 163 | H | 51 | Low | 50.2 | Low | 176 Ų | 176 | 135.6 Ų | 135.6 | 82% | 0.815 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | 40.6 | 179.7 | -60.6 | -47.1 | 0 | 0 | 0 | 111.8 | G161 | G161-H163 PolarHBondContact O-N 2.82Š|
| 164 | R | 49.8 | Very low | 49.5 | Very low | 247 Ų | 247 | 139.2 Ų | 139.2 | 93% | 0.932 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -136.6 | 80.7 | 159.5 | -137.9 | -174.6 | -85.9 | -170.1 | -3.1 | 110.9 | ||
| 165 | G | 47.7 | Very low | 48.9 | Very low | 69 Ų | 69 | 139.6 Ų | 139.6 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | 114 | 16.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | R167 | G165-R167 PolarHBondContact O-N 2.86Š| ||
| 166 | A | 46.7 | Very low | 48.3 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -74.9 | 73.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S168 | A166-S168 PolarHBondContact O-N 3.34Š| ||
| 167 | R | 48.8 | Very low | 47.9 | Very low | 236 Ų | 236 | 147.8 Ų | 147.8 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | trans | -68.3 | 64.8 | 153.6 | -64.9 | 179.2 | -175.9 | 169.6 | 0.9 | 107.8 | G165 R169 | G165-R167 PolarHBondContact O-N 2.86Å; R167-R169 PolarHBondContact O-N 3.11Å | ||
| 168 | S | 45.5 | Very low | 46.8 | Very low | 109 Ų | 109 | 154.8 Ų | 154.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -69.1 | 92.8 | 161.8 | -89 | 0 | 0 | 0 | 0 | 106.2 | A166 G170 | A166-S168 PolarHBondContact O-N 3.34Å; S168-G170 VanDerWaalsContact C-N 3.35Å; S168-G170 PolarHBondContact O-N 2.87Å | ||
| 169 | R | 46.8 | Very low | 46 | Very low | 239 Ų | 239 | 158.3 Ų | 158.3 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -50.6 | 105.3 | 162.1 | -75.2 | -179.7 | 172.5 | 152.8 | -3.2 | 106.8 | R167 R171 | R167-R169 PolarHBondContact O-N 3.11Å; R169-R171 PolarHBondContact O-N 3.13Å | ||
| 170 | G | 42.3 | Very low | 44.9 | Very low | 77 Ų | 77 | 154.4 Ų | 154.4 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -50.4 | 112.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S168 | S168-G170 VanDerWaalsContact C-N 3.35Å; S168-G170 PolarHBondContact O-N 2.87Å | ||
| 171 | R | 45.7 | Very low | 44.2 | Very low | 248 Ų | 248 | 153.8 Ų | 153.8 | 94% | 0.936 | 78% | 0.784 | S | S | * | * | trans | -80.2 | 120.6 | 149.4 | -93.9 | -175.2 | 171.2 | -160.7 | -1.9 | 106 | R169 | R169-R171 PolarHBondContact O-N 3.13Š| ||
| 172 | G | 42.8 | Very low | 43.9 | Very low | 73 Ų | 73 | 160.3 Ų | 160.3 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -54.3 | 136.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 173 | F | 42.8 | Very low | 43.3 | Very low | 187 Ų | 187 | 161 Ų | 161 | 82% | 0.82 | 81% | 0.806 | S | S | * | * | trans | -111.8 | 96.9 | 155.7 | -170 | -101.4 | 0 | 0 | 0 | 106.3 | P175 | F173-P175 WeakPolarHBondContact O-CD 3.33Š| ||
| 174 | H | 41.3 | Very low | 42.5 | Very low | 181 Ų | 181 | 155.8 Ų | 155.8 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -85.7 | 113.7 | 168 | -78.7 | -40.9 | 0 | 0 | 0 | 108 | ||||
| 175 | P | 46.3 | Very low | 41.8 | Very low | 90 Ų | 90 | 155.9 Ų | 155.9 | 58% | 0.584 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 143.9 | 164.8 | 27.9 | -30.7 | 0 | 0 | 0 | 109.7 | F173 R177 | F173-P175 WeakPolarHBondContact O-CD 3.33Å; P175-R177 PolarHBondContact O-N 3.33Å |
| 176 | P | 45.5 | Very low | 41 | Very low | 131 Ų | 131 | 161.8 Ų | 161.8 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 129 | -176.1 | 25.4 | -31.3 | 0 | 0 | 0 | 110.9 | Y178 | P176-Y178 PolarHBondContact O-N 3.11Š|
| 177 | R | 45.2 | Very low | 40.5 | Very low | 245 Ų | 245 | 167.9 Ų | 167.9 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 124 | 171.4 | -68.9 | -164.5 | -175.4 | -120.2 | 5.1 | 109.6 | P175 | P175-R177 PolarHBondContact O-N 3.33Š|
| 178 | Y | 32.5 | Very low | 39.8 | Very low | 223 Ų | 223 | 165.7 Ų | 165.7 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -128.3 | 116.3 | 155.8 | -140.8 | -99.5 | 0 | 0 | 0 | 110 | P176 | P176-Y178 PolarHBondContact O-N 3.11Š| ||
| 179 | N | 39.4 | Very low | 39.5 | Very low | 144 Ų | 144 | 167.6 Ų | 167.6 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | 73 | 134.2 | 149.3 | -142.9 | 36.4 | 0 | 0 | 0 | 122.6 | ||||
| 180 | G | 33.6 | Very low | 39 | Very low | 52 Ų | 52 | 163 Ų | 163 | 54% | 0.536 | 80% | 0.803 | S | S | . | * | 114 | 95.3 | 129.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 181 | Y | 37.3 | Very low | 38.6 | Very low | 215 Ų | 215 | 162.2 Ų | 162.2 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 36.4 | 115.3 | 141.6 | -61.2 | -85.5 | 0 | 0 | 0 | 120.2 | ||||
| 182 | Q | 39.1 | Very low | 39 | Very low | 170 Ų | 170 | 156.6 Ų | 156.6 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | 160.3 | 129.2 | 113.5 | -92.8 | 170.4 | 29.9 | 0 | 0 | 113.4 | |||||
| 183 | Q | 38.3 | Very low | 38.5 | Very low | 176 Ų | 176 | 157.8 Ų | 157.8 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 62.9 | 105.5 | 147.2 | -48.9 | -77.3 | 11.4 | 0 | 0 | 116 | ||||
| 184 | G | 34.9 | Very low | 38.4 | Very low | 66 Ų | 66 | 160.4 Ų | 160.4 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | 87.5 | 82.9 | 51.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 185 | R | 35.2 | Very low | 38.4 | Very low | 249 Ų | 249 | 157.7 Ų | 157.7 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | trans | -150.6 | 114.2 | 149 | -85.8 | -152.7 | 179.8 | -96.1 | -0.7 | 111.5 | ||||
| 186 | F | 31.3 | Very low | 38.1 | Very low | 194 Ų | 194 | 159.1 Ų | 159.1 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -56.7 | 136.2 | 162.8 | -77 | -102 | 0 | 0 | 0 | 111.4 | ||||
| 187 | R | 35.3 | Very low | 37.8 | Very low | 221 Ų | 221 | 158 Ų | 158 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -135.6 | 144.8 | 139.8 | -90.3 | -158.5 | -172.5 | -162.3 | 4.1 | 109.8 | ||||
| 188 | Y | 35.6 | Very low | 38 | Very low | 189 Ų | 189 | 151.2 Ų | 151.2 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -77.3 | 138.4 | -159.3 | -10 | -85.7 | 0 | 0 | 0 | 111.8 | ||||
| 189 | N | 39 | Very low | 38.3 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -21.4 | 125.8 | 154.1 | -160.7 | 32.3 | 0 | 0 | 0 | 116.9 | ||||
| 190 | T | 36.6 | Very low | 39.1 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -150.8 | 96.5 | 137.9 | 18 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 191 | G | 33.7 | Very low | 39.5 | Very low | 59 Ų | 59 | 155.4 Ų | 155.4 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | trans | -86.1 | -170.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 192 | P | 52.5 | Low | 39.6 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | cis | -130.6 | 171.3 | 4.4 | 39.1 | -20.1 | 0 | 0 | 0 | 112.3 | ||||
| 193 | A | 33.2 | Very low | 40.4 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | -169.5 | 134.7 | 91.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 194 | R | 41 | Very low | 40.8 | Very low | 242 Ų | 242 | 144 Ų | 144 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | -92.1 | 138 | 162.3 | -71.5 | 173.1 | 172.1 | -110.7 | 0.7 | 108 | ||||
| 195 | S | 40.3 | Very low | 41.3 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -139.2 | 143.5 | 148.6 | 58.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 196 | V | 40.3 | Very low | 41.8 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -110.4 | 128.4 | -158.2 | 169.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 197 | S | 39.9 | Very low | 42.2 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | 59.2 | 173.7 | 148.6 | -55.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 198 | P | 49.1 | Very low | 42.5 | Very low | 103 Ų | 103 | 139 Ų | 139 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | cis | -137.2 | 151.5 | -31.9 | 21.5 | 2.2 | 0 | 0 | 0 | 117.1 | ||||
| 199 | H | 39.2 | Very low | 42.9 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | trans | 61.1 | 174.9 | 148 | -64.5 | 93 | 0 | 0 | 0 | 121 | ||||
| 200 | P | 55.6 | Low | 43 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 61% | 0.61 | 81% | 0.805 | S | S | * | * | -130.5 | 174 | -55.9 | 34 | -15.6 | 0 | 0 | 0 | 113.3 | |||||
| 201 | Y | 42.4 | Very low | 43.1 | Very low | 233 Ų | 233 | 138.1 Ų | 138.1 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | trans | 82.1 | 101.7 | 171 | -57.2 | -78.3 | 0 | 0 | 0 | 119.4 | ||||
| 202 | G | 40 | Very low | 43.9 | Very low | 66 Ų | 66 | 141.8 Ų | 141.8 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | 178.6 | 103.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 203 | P | 54.6 | Low | 43.7 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 131.3 | 175.2 | 29.6 | -29.7 | 0 | 0 | 0 | 109.8 | ||
| 204 | P | 47.7 | Very low | 44.2 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 137.9 | 168.9 | 27.8 | -30.3 | 0 | 0 | 0 | 110.8 | ||
| 205 | A | 45.8 | Very low | 44.7 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 153 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 206 | G | 43.9 | Very low | 44.8 | Very low | 77 Ų | 77 | 148.2 Ų | 148.2 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 117.2 | 65.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 207 | K | 40.6 | Very low | 44.8 | Very low | 213 Ų | 213 | 151.4 Ų | 151.4 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | trans | -99.8 | 111.2 | 156.1 | -66.9 | -173.3 | -178.9 | -174.8 | 0 | 108.3 | H209 | K207-H209 PolarHBondContact O-N 2.74Š| ||
| 208 | R | 42.3 | Very low | 45.2 | Very low | 230 Ų | 230 | 156 Ų | 156 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 121.3 | 166.3 | -62.7 | 177.6 | -142.3 | -107 | -1 | 107.3 | ||
| 209 | H | 42.2 | Very low | 44.9 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 131 | 170.8 | 78.9 | 97.7 | 0 | 0 | 0 | 108.2 | K207 | K207-H209 PolarHBondContact O-N 2.74Š|
| 210 | W | 41.5 | Very low | 45.5 | Very low | 239 Ų | 239 | 151.3 Ų | 151.3 | 91% | 0.905 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 122.6 | 156.8 | -72.7 | 98.2 | 0 | 0 | 0 | 105.7 | ||
| 211 | G | 39.2 | Very low | 45.7 | Very low | 58 Ų | 58 | 156.2 Ų | 156.2 | 60% | 0.598 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 141.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 212 | V | 50.2 | Low | 45.8 | Very low | 136 Ų | 136 | 156.3 Ų | 156.3 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 131 | 166.6 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 213 | P | 47.8 | Very low | 46.3 | Very low | 122 Ų | 122 | 161.3 Ų | 161.3 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | trans | -85.1 | 113 | 157.8 | -0.1 | 19 | 0 | 0 | 0 | 108.7 | ||||
| 214 | E | 43.8 | Very low | 46.1 | Very low | 178 Ų | 178 | 160.7 Ų | 160.7 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -37.1 | 133.4 | 166.6 | -169.3 | 168.6 | -169.9 | 0 | 0 | 114.4 | R216 | E214-R216 PolarHBondContact O-N 2.76Å; E214-R216 VanDerWaalsContact O-N 3.11Å | ||
| 215 | H | 51.2 | Low | 45.7 | Very low | 192 Ų | 192 | 159.6 Ų | 159.6 | 89% | 0.889 | 82% | 0.82 | S | S | * | * | trans | -58.8 | 108.9 | 167.2 | -93.4 | -102.8 | 0 | 0 | 0 | 109.2 | ||||
| 216 | R | 43 | Very low | 46 | Very low | 239 Ų | 239 | 162.4 Ų | 162.4 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -101.1 | 122.3 | 167.3 | -165.9 | 167.2 | 176.7 | 165.8 | -2 | 110.3 | E214 | E214-R216 PolarHBondContact O-N 2.76Å; E214-R216 VanDerWaalsContact O-N 3.11Å | ||
| 217 | E | 41.7 | Very low | 46.2 | Very low | 186 Ų | 186 | 166.8 Ų | 166.8 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -52.3 | 139.8 | -173.8 | -58.9 | 178.3 | 131 | 0 | 0 | 113.9 | G219 | E217-G219 PolarHBondContact O-N 3.4Š| ||
| 218 | Q | 47.7 | Very low | 46.7 | Very low | 205 Ų | 205 | 163.9 Ų | 163.9 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -77.8 | 100.4 | 172.4 | -80.7 | 157 | 3.2 | 0 | 0 | 109.7 | ||||
| 219 | G | 42.3 | Very low | 46.8 | Very low | 63 Ų | 63 | 160.8 Ų | 160.8 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | trans | -77.7 | 157.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E217 | E217-G219 PolarHBondContact O-N 3.4Š| ||
| 220 | P | 52 | Low | 47.5 | Very low | 121 Ų | 121 | 158.8 Ų | 158.8 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | trans | -76.9 | 144.5 | -157 | 30.5 | -34.5 | 0 | 0 | 0 | 113.6 | R222 | P220-R222 PolarHBondContact O-N 2.83Å; P220-R222 VanDerWaalsContact O-N 3.13Å | ||
| 221 | K | 59.7 | Low | 48.6 | Very low | 196 Ų | 196 | 152.1 Ų | 152.1 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | -54.3 | 110.3 | 172.8 | -62.6 | 175 | -179.5 | 177.8 | 0 | 110.1 | ||||
| 222 | R | 44.3 | Very low | 49.7 | Very low | 235 Ų | 235 | 155.7 Ų | 155.7 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | -90.4 | 99.9 | 165.7 | -70 | -174.9 | 168.4 | -160.9 | -3.5 | 108.6 | P220 | P220-R222 PolarHBondContact O-N 2.83Å; P220-R222 VanDerWaalsContact O-N 3.13Å | ||
| 223 | H | 50.9 | Low | 50.1 | Low | 172 Ų | 172 | 155 Ų | 155 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | -73.3 | 132.9 | 139.4 | -59.9 | -78.5 | 0 | 0 | 0 | 105.5 | ||||
| 224 | P | 50.5 | Low | 50.5 | Low | 113 Ų | 113 | 156.3 Ų | 156.3 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | -154.7 | -174.6 | 85.5 | 37.4 | -13 | 0 | 0 | 0 | 110.2 | |||||
| 225 | C | 39.5 | Very low | 50.9 | Low | 105 Ų | 105 | 155.9 Ų | 155.9 | 71% | 0.709 | 81% | 0.81 | S | S | * | * | cis | -151.7 | 149 | 19.8 | -60.8 | 0 | 0 | 0 | 0 | 108.6 | L227 | C225-L227 PolarHBondContact O-N 2.84Š| ||
| 226 | L | 51.7 | Low | 50.8 | Low | 166 Ų | 166 | 151.9 Ų | 151.9 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -39 | 121.1 | 141.9 | -72.7 | 148.4 | 0 | 0 | 0 | 110.6 | ||||
| 227 | L | 48.9 | Very low | 50.9 | Low | 169 Ų | 169 | 144 Ų | 144 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -111.6 | 117.7 | 155.8 | -88.7 | 169.4 | 0 | 0 | 0 | 107.8 | C225 | C225-L227 PolarHBondContact O-N 2.84Š| ||
| 228 | L | 49.6 | Very low | 51.8 | Low | 151 Ų | 151 | 141.5 Ų | 141.5 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -61.9 | 133.4 | -177.8 | -65.3 | 155.8 | 0 | 0 | 0 | 109.4 | T230 | L228-T230 PolarHBondContact O-N 2.94Å; L228-T230 VanDerWaalsContact O-N 3.14Å | ||
| 229 | I | 46 | Very low | 51.6 | Low | 165 Ų | 165 | 134.8 Ų | 134.8 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -66.5 | 105.4 | 162.9 | -61.3 | 164.4 | 0 | 0 | 0 | 106.2 | ||||
| 230 | T | 55.8 | Low | 51.8 | Low | 123 Ų | 123 | 140.9 Ų | 140.9 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -81.6 | 122.7 | 160.3 | 46.5 | 0 | 0 | 0 | 0 | 107.8 | L228 | L228-T230 PolarHBondContact O-N 2.94Å; L228-T230 VanDerWaalsContact O-N 3.14Å | ||
| 231 | P | 64.3 | Low | 51.9 | Low | 100 Ų | 100 | 140.3 Ų | 140.3 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | trans | -68.4 | 149.8 | 174.4 | 29.4 | -33.9 | 0 | 0 | 0 | 110.3 | T233 | P231-T233 PolarHBondContact O-N 2.91Å; P231-T233 VanDerWaalsContact O-N 3.15Å | ||
| 232 | P | 63.6 | Low | 51.1 | Low | 132 Ų | 132 | 134.5 Ų | 134.5 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -65.7 | 115.9 | 172.1 | 27.1 | -31.2 | 0 | 0 | 0 | 109.1 | D234 | P232-D234 PolarHBondContact O-N 3.04Š| ||
| 233 | T | 57.4 | Low | 51.6 | Low | 121 Ų | 121 | 132.5 Ų | 132.5 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -70.5 | 117.5 | 168.1 | 38.3 | 0 | 0 | 0 | 0 | 109.5 | P231 | P231-T233 PolarHBondContact O-N 2.91Å; P231-T233 VanDerWaalsContact O-N 3.15Å | ||
| 234 | D | 57 | Low | 51.8 | Low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -57.7 | 123.8 | 162.3 | -152.4 | 1.4 | 0 | 0 | 0 | 109.5 | P232 | P232-D234 PolarHBondContact O-N 3.04Š| ||
| 235 | H | 52.3 | Low | 52.5 | Low | 169 Ų | 169 | 136.1 Ų | 136.1 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -134.3 | 91.7 | 165.9 | -98.2 | -57.2 | 0 | 0 | 0 | 109.4 | ||||
| 236 | S | 48.8 | Very low | 53.8 | Low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -44.7 | 134.8 | 144.6 | 42.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 237 | G | 45.7 | Very low | 54 | Low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | 174.5 | 134.3 | 165 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 238 | P | 59.1 | Low | 54.3 | Low | 135 Ų | 135 | 137.8 Ų | 137.8 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -106.7 | 160.4 | -150.3 | 38.6 | -30 | 0 | 0 | 0 | 115.8 | ||||
| 239 | G | 43.5 | Very low | 54.6 | Low | 64 Ų | 64 | 138.2 Ų | 138.2 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | trans | 97.6 | 119.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 240 | H | 46.8 | Very low | 55 | Low | 190 Ų | 190 | 144.8 Ų | 144.8 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | -171.5 | 136.7 | 101.3 | -104.6 | 68.5 | 0 | 0 | 0 | 111.4 | |||||
| 241 | S | 53.9 | Low | 55 | Low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -54 | 133.4 | 175.8 | 49.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 242 | G | 44.4 | Very low | 54.5 | Low | 73 Ų | 73 | 148.3 Ų | 148.3 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -138.9 | 81.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | M244 | G242-M244 PolarHBondContact O-N 3.41Š| ||
| 243 | H | 53.2 | Low | 54 | Low | 194 Ų | 194 | 149.2 Ų | 149.2 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -60.1 | 114.7 | 165.1 | -103.3 | 43.6 | 0 | 0 | 0 | 109 | ||||
| 244 | M | 54.9 | Low | 53.8 | Low | 181 Ų | 181 | 150.8 Ų | 150.8 | 89% | 0.892 | 82% | 0.824 | S | S | * | * | trans | -106.9 | 111.3 | 161.6 | -78.2 | -174.1 | 77.4 | 0 | 0 | 108.8 | G242 | G242-M244 PolarHBondContact O-N 3.41Š| ||
| 245 | H | 65.6 | Low | 53.6 | Low | 179 Ų | 179 | 150.8 Ų | 150.8 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 138.9 | 163 | -90 | 153.6 | 0 | 0 | 0 | 111 | ||
| 246 | P | 67.8 | Low | 53.6 | Low | 114 Ų | 114 | 149.6 Ų | 149.6 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 116.3 | 154.8 | 30.3 | -25.8 | 0 | 0 | 0 | 110 | Q248 | P246-Q248 PolarHBondContact O-N 3.46Š|
| 247 | Q | 55 | Low | 54 | Low | 174 Ų | 174 | 152.6 Ų | 152.6 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 116 | 158.6 | -87.8 | 178.9 | -42.1 | 0 | 0 | 108.3 | ||
| 248 | Q | 55.3 | Low | 54.6 | Low | 188 Ų | 188 | 158.8 Ų | 158.8 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -76 | 118.3 | 159.5 | -67.3 | -178.3 | 0.7 | 0 | 0 | 107.7 | P246 | P246-Q248 PolarHBondContact O-N 3.46Š|
| 249 | H | 56.5 | Low | 54.3 | Low | 160 Ų | 160 | 160.8 Ų | 160.8 | 74% | 0.741 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 138.3 | 161.6 | -99.4 | -95.1 | 0 | 0 | 0 | 108.6 | ||
| 250 | Y | 54.3 | Low | 55.2 | Low | 302 Ų | 302 | 169.5 Ų | 169.5 | 100% | 1.184 | 85% | 0.852 | S | S | * | * | trans | -22.4 | 0 | 171.7 | -81.7 | -98 | 0 | 0 | 0 | 117.8 |
Retrieved 250 of 250 residues in 404.9 ms
(Link to these results)