| 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 | 47.1 | Very low | 71.1 | Confident | 240 Ų | 240 | 118.7 Ų | 118.7 | 100% | 1.182 | 66% | 0.662 | S | S | * | * | 0 | 89.1 | 0 | -75 | 67.9 | 173.1 | 0 | 0 | 107.3 | |||||
| 2 | A | 56 | Low | 71.8 | Confident | 95 Ų | 95 | 113.4 Ų | 113.4 | 79% | 0.785 | 63% | 0.63 | S | S | * | * | trans | -102 | 111.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 3 | D | 57.6 | Low | 72 | Confident | 136 Ų | 136 | 111.8 Ų | 111.8 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | trans | 39.4 | 79.7 | 145.1 | -54 | -22.2 | 0 | 0 | 0 | 119.6 | ||||
| 4 | K | 68.6 | Low | 72.3 | Confident | 159 Ų | 159 | 112.8 Ų | 112.8 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -78.5 | 0.6 | 157.3 | -70.1 | -174.9 | 178.7 | -171.7 | 0 | 113.5 | ||
| 5 | M | 72.7 | Confident | 72.4 | Confident | 182 Ų | 182 | 110.5 Ų | 110.5 | 90% | 0.897 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -82.2 | -16.6 | -175.8 | -63.6 | -64.8 | -75.8 | 0 | 0 | 113.7 | ||
| 6 | G | 78.9 | Confident | 72 | Confident | 75 Ų | 75 | 108 Ų | 108 | 77% | 0.773 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -98.3 | 2.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 7 | L | 78.9 | Confident | 71.3 | Confident | 72 Ų | 72 | 111.9 Ų | 111.9 | 38% | 0.377 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -93 | 137.9 | -175.8 | -65.8 | 170.5 | 0 | 0 | 0 | 111 | D11 I12 L15 | L7-D11 HydrophobicContact CB-CB 4.46Å; L7-D11 HydrophobicContact CD2-CB 4.39Å; L7-I12 HydrophobicContact CB-CD1 4.25Å; L7-I12 HydrophobicContact CB-CG1 3.79Å; L7-I12 HydrophobicContact CD1-CG1 4.37Å; L7-L15 HydrophobicContact CD1-CD1 3.99Å |
| 8 | S | 82.8 | Confident | 70.5 | Confident | 50 Ų | 50 | 111.9 Ų | 111.9 | 35% | 0.35 | 59% | 0.594 | S | S | . | * | trans | -61.4 | 150.9 | 168.7 | 70.3 | 0 | 0 | 0 | 0 | 110.2 | E10 D11 I12 | S8-E10 PolarHBondContact O-N 3.15Å; S8-D11 PolarHBondContact O-N 3.18Å; S8-D11 WeakPolarHBondContact OG-CB 3.43Å; S8-D11 PolarHBondContact OG-N 2.92Å; S8-D11 PolarHBondContact OG-OD2 3.48Å; S8-I12 PolarHBondContact O-N 3.32Å | ||
| 9 | L | 79 | Confident | 69.7 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 60% | 0.602 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.5 | -37.6 | 177.6 | -178.6 | 61.7 | 0 | 0 | 0 | 110.7 | D11 I12 I13 | L9-D11 VanDerWaalsContact C-N 3.31Å; L9-D11 PolarHBondContact O-N 2.76Å; L9-I12 PolarHBondContact O-N 3.11Å; L9-I13 HydrophobicContact CD1-CD1 4.27Å; L9-I13 HydrophobicContact CD1-CG1 4.48Å; L9-I13 HydrophobicContact CG-CD1 3.9Å; L9-I13 WeakPolarHBondContact O-CB 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.36Å; L9-I13 PolarHBondContact O-N 3.36Å |
| 10 | E | 79.5 | Confident | 68.8 | Low | 119 Ų | 119 | 115.7 Ų | 115.7 | 56% | 0.556 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -57 | -41 | 172.1 | -76.3 | 66.4 | -149.9 | 0 | 0 | 112.6 | S8 I13 K14 | S8-E10 PolarHBondContact O-N 3.15Å; E10-I13 PolarHBondContact O-N 3.25Å; E10-K14 WeakPolarHBondContact O-CB 3.42Å; E10-K14 VanDerWaalsContact O-CG 3.27Å; E10-K14 WeakPolarHBondContact O-CG 3.3Å; E10-K14 PolarHBondContact O-N 3.18Å |
| 11 | D | 81.1 | Confident | 67.7 | Low | 63 Ų | 63 | 113.1 Ų | 113.1 | 34% | 0.337 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -74.9 | -34.8 | 179.9 | -67.8 | -32.4 | 0 | 0 | 0 | 112.5 | L7 S8 L9 I13 K14 L15 | L7-D11 HydrophobicContact CB-CB 4.46Å; L7-D11 HydrophobicContact CD2-CB 4.39Å; S8-D11 PolarHBondContact O-N 3.18Å; S8-D11 WeakPolarHBondContact OG-CB 3.43Å; S8-D11 PolarHBondContact OG-N 2.92Å; S8-D11 PolarHBondContact OG-OD2 3.48Å; L9-D11 VanDerWaalsContact C-N 3.31Å; L9-D11 PolarHBondContact O-N 2.76Å; D11-I13 VanDerWaalsContact C-N 3.35Å; D11-K14 PolarHBondContact O-N 2.79Å; D11-K14 IonicContact OD1-NZ 3.73Å; D11-L15 WeakPolarHBondContact O-CB 3.5Å; D11-L15 WeakPolarHBondContact O-CG 3.39Å; D11-L15 PolarHBondContact O-N 3.3Å |
| 12 | I | 79.3 | Confident | 67.5 | Low | 55 Ų | 55 | 107.6 Ų | 107.6 | 28% | 0.282 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.9 | -41.4 | 172.1 | -62.7 | 171.8 | 0 | 0 | 0 | 110.4 | L7 S8 L9 L15 N16 | L7-I12 HydrophobicContact CB-CD1 4.25Å; L7-I12 HydrophobicContact CB-CG1 3.79Å; L7-I12 HydrophobicContact CD1-CG1 4.37Å; S8-I12 PolarHBondContact O-N 3.32Å; L9-I12 PolarHBondContact O-N 3.11Å; I12-L15 PolarHBondContact O-N 2.93Å; I12-N16 WeakPolarHBondContact O-CB 3.49Å; I12-N16 PolarHBondContact O-N 3.22Å; I12-N16 PolarHBondContact O-ND2 3.14Å |
| 13 | I | 74.4 | Confident | 66.8 | Low | 92 Ų | 92 | 110.2 Ų | 110.2 | 47% | 0.472 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.4 | -42.9 | 176.7 | -69.3 | 166.6 | 0 | 0 | 0 | 110.3 | L9 E10 D11 K17 | L9-I13 HydrophobicContact CD1-CD1 4.27Å; L9-I13 HydrophobicContact CD1-CG1 4.48Å; L9-I13 HydrophobicContact CG-CD1 3.9Å; L9-I13 WeakPolarHBondContact O-CB 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.36Å; L9-I13 PolarHBondContact O-N 3.36Å; E10-I13 PolarHBondContact O-N 3.25Å; D11-I13 VanDerWaalsContact C-N 3.35Å; I13-K17 VanDerWaalsContact O-CB 3.22Å; I13-K17 WeakPolarHBondContact O-CB 3.49Å; I13-K17 PolarHBondContact O-N 3.35Å |
| 14 | K | 76.7 | Confident | 66.1 | Low | 126 Ų | 126 | 111 Ų | 111 | 55% | 0.548 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.1 | -45.1 | 175.5 | -74.8 | 170.2 | -170 | 166.2 | 0 | 112 | E10 D11 K17 I18 | E10-K14 WeakPolarHBondContact O-CB 3.42Å; E10-K14 VanDerWaalsContact O-CG 3.27Å; E10-K14 WeakPolarHBondContact O-CG 3.3Å; E10-K14 PolarHBondContact O-N 3.18Å; D11-K14 PolarHBondContact O-N 2.79Å; D11-K14 IonicContact OD1-NZ 3.73Å; K14-K17 PolarHBondContact O-N 3.32Å; K14-I18 WeakPolarHBondContact O-CD1 3.14Å; K14-I18 VanDerWaalsContact O-CG1 3.3Å; K14-I18 WeakPolarHBondContact O-CG1 3.49Å; K14-I18 PolarHBondContact O-N 3.25Å |
| 15 | L | 73.1 | Confident | 65.1 | Low | 79 Ų | 79 | 115.2 Ų | 115.2 | 41% | 0.414 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.9 | -42.7 | 179.2 | -83.3 | 160 | 0 | 0 | 0 | 112.5 | L7 D11 I12 I18 Q19 | L7-L15 HydrophobicContact CD1-CD1 3.99Å; D11-L15 WeakPolarHBondContact O-CB 3.5Å; D11-L15 WeakPolarHBondContact O-CG 3.39Å; D11-L15 PolarHBondContact O-N 3.3Å; I12-L15 PolarHBondContact O-N 2.93Å; L15-I18 PolarHBondContact O-N 3.31Å; L15-Q19 WeakPolarHBondContact O-CG 3.49Å; L15-Q19 PolarHBondContact O-N 2.95Å |
| 16 | N | 65.4 | Low | 63.6 | Low | 70 Ų | 70 | 112.5 Ų | 112.5 | 37% | 0.374 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -72.4 | -29.1 | 178.7 | -80 | -29.9 | 0 | 0 | 0 | 113 | I12 I18 Q19 Q20 | I12-N16 WeakPolarHBondContact O-CB 3.49Å; I12-N16 PolarHBondContact O-N 3.22Å; I12-N16 PolarHBondContact O-ND2 3.14Å; N16-I18 VanDerWaalsContact C-N 3.26Å; N16-I18 PolarHBondContact O-N 2.87Å; N16-Q19 PolarHBondContact O-N 2.87Å; N16-Q20 PolarHBondContact O-N 3.36Å |
| 17 | K | 61.2 | Low | 61.8 | Low | 174 Ų | 174 | 116.1 Ų | 116.1 | 76% | 0.757 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.2 | -19.9 | 176.3 | -152.3 | 167.8 | -172.9 | -179.2 | 0 | 112.7 | I13 K14 | I13-K17 VanDerWaalsContact O-CB 3.22Å; I13-K17 WeakPolarHBondContact O-CB 3.49Å; I13-K17 PolarHBondContact O-N 3.35Å; K14-K17 PolarHBondContact O-N 3.32Å |
| 18 | I | 56 | Low | 60.3 | Low | 112 Ų | 112 | 117 Ų | 117 | 57% | 0.574 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -89.1 | -27.3 | 174 | -63.8 | 165.6 | 0 | 0 | 0 | 111.5 | K14 L15 N16 | K14-I18 WeakPolarHBondContact O-CD1 3.14Å; K14-I18 VanDerWaalsContact O-CG1 3.3Å; K14-I18 WeakPolarHBondContact O-CG1 3.49Å; K14-I18 PolarHBondContact O-N 3.25Å; L15-I18 PolarHBondContact O-N 3.31Å; N16-I18 VanDerWaalsContact C-N 3.26Å; N16-I18 PolarHBondContact O-N 2.87Å |
| 19 | Q | 55.2 | Low | 58.1 | Low | 132 Ų | 132 | 126.2 Ų | 126.2 | 62% | 0.617 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85.7 | -21.4 | -178.7 | -71 | 179.6 | 19.8 | 0 | 0 | 114.1 | L15 N16 G21 | L15-Q19 WeakPolarHBondContact O-CG 3.49Å; L15-Q19 PolarHBondContact O-N 2.95Å; N16-Q19 PolarHBondContact O-N 2.87Å; Q19-G21 PolarHBondContact O-N 3.13Å; Q19-G21 VanDerWaalsContact O-N 3.13Å |
| 20 | Q | 53 | Low | 56.6 | Low | 167 Ų | 167 | 126.6 Ų | 126.6 | 78% | 0.78 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -84.6 | 85.9 | 175 | -66 | -163.4 | 28.1 | 0 | 0 | 111.9 | N16 | N16-Q20 PolarHBondContact O-N 3.36Š|
| 21 | G | 45.6 | Very low | 54.7 | Low | 63 Ų | 63 | 128.1 Ų | 128.1 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 104.4 | 65.4 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q19 | Q19-G21 PolarHBondContact O-N 3.13Å; Q19-G21 VanDerWaalsContact O-N 3.13Å |
| 22 | C | 41.6 | Very low | 52.7 | Low | 124 Ų | 124 | 135.6 Ų | 135.6 | 84% | 0.838 | 68% | 0.681 | S | S | * | * | 163.4 | 51 | 127.7 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | N24 | C22-N24 PolarHBondContact O-N 3.2Š| |||
| 23 | H | 41.1 | Very low | 50.7 | Low | 149 Ų | 149 | 136.8 Ų | 136.8 | 69% | 0.69 | 71% | 0.707 | S | S | * | * | trans | -86.6 | 92 | 164.3 | -72.6 | 80.3 | 0 | 0 | 0 | 109.1 | ||||
| 24 | N | 43.5 | Very low | 49.4 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | trans | -177.8 | 91.8 | 154 | -91.4 | -24.4 | 0 | 0 | 0 | 110 | C22 | C22-N24 PolarHBondContact O-N 3.2Š| ||
| 25 | R | 49.1 | Very low | 47.9 | Very low | 246 Ų | 246 | 135.6 Ų | 135.6 | 93% | 0.928 | 72% | 0.724 | S | S | * | * | trans | 177.1 | 107.2 | 136.1 | -97.6 | 167.6 | -171 | -160.3 | 1.9 | 110.1 | ||||
| 26 | P | 40 | Very low | 46.8 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | trans | -80.7 | 127.1 | 161.7 | 33.4 | -25.7 | 0 | 0 | 0 | 107.4 | ||||
| 27 | D | 42.2 | Very low | 45.7 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | 176.9 | 145.9 | 122.5 | -137.9 | -30.3 | 0 | 0 | 0 | 111.6 | |||||
| 28 | S | 46.3 | Very low | 44.9 | Very low | 92 Ų | 92 | 147.7 Ų | 147.7 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | 67.7 | 89.9 | 156.7 | 70.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 29 | R | 36.6 | Very low | 44.6 | Very low | 242 Ų | 242 | 152.8 Ų | 152.8 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | 53 | 138.4 | 119.4 | -63.2 | 175.2 | -174 | 167.1 | 2.4 | 118.9 | |||||
| 30 | V | 47.7 | Very low | 44.5 | Very low | 123 Ų | 123 | 155.7 Ų | 155.7 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | trans | 95.9 | 79.2 | 159.8 | -151.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 31 | N | 40.7 | Very low | 44.4 | Very low | 151 Ų | 151 | 153.6 Ų | 153.6 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | 21.3 | 102 | 124.4 | -157 | 16.2 | 0 | 0 | 0 | 117.3 | |||||
| 32 | R | 38.8 | Very low | 44.7 | Very low | 221 Ų | 221 | 154.1 Ų | 154.1 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -166.2 | 125.4 | 145.7 | -128.6 | 171.1 | -71.5 | 171 | -2.5 | 111.5 | ||||
| 33 | G | 36.4 | Very low | 45.3 | Very low | 79 Ų | 79 | 153 Ų | 153 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -55 | 133.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G35 | G33-G35 PolarHBondContact O-N 3.18Š| ||
| 34 | T | 46.6 | Very low | 45.9 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -99.8 | 77.6 | 177.5 | -49.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 35 | G | 46.2 | Very low | 46.4 | Very low | 47 Ų | 47 | 151.8 Ų | 151.8 | 49% | 0.485 | 79% | 0.794 | S | S | . | * | trans | -87.1 | 157.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110 | G33 K37 | G33-G35 PolarHBondContact O-N 3.18Å; G35-K37 PolarHBondContact O-N 3.38Å | ||
| 36 | P | 49 | Very low | 46.6 | Very low | 136 Ų | 136 | 146 Ų | 146 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -77.6 | 69.3 | -173.8 | 33.5 | -33.9 | 0 | 0 | 0 | 110.7 | R38 | P36-R38 PolarHBondContact O-N 3.36Š| ||
| 37 | K | 43 | Very low | 47.1 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | -84.2 | 99.8 | 170.7 | -68.7 | -154.7 | 177.9 | -174 | 0 | 108.9 | G35 Y39 | G35-K37 PolarHBondContact O-N 3.38Å; K37-Y39 PolarHBondContact O-N 3.45Å | ||
| 38 | R | 44 | Very low | 47.5 | Very low | 245 Ų | 245 | 143.2 Ų | 143.2 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | trans | -61.3 | 91.3 | 170.8 | -66.7 | 178.7 | 177.8 | 176.4 | -0.4 | 109.5 | P36 | P36-R38 PolarHBondContact O-N 3.36Š| ||
| 39 | Y | 50.5 | Low | 47.8 | Very low | 219 Ų | 219 | 146.8 Ų | 146.8 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -132.9 | 3.4 | 170.7 | -118.5 | -89.9 | 0 | 0 | 0 | 114.3 | K37 | K37-Y39 PolarHBondContact O-N 3.45Š| ||
| 40 | K | 52 | Low | 48.7 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -142.1 | 132 | 174.7 | -65.9 | -169.9 | 175.5 | -175.3 | 0 | 110.6 | G42 | K40-G42 PolarHBondContact O-N 3.29Š|
| 41 | P | 52.5 | Low | 49.2 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -63.3 | 118.8 | 173.4 | -15.8 | 28.7 | 0 | 0 | 0 | 109.4 | I43 | P41-I43 PolarHBondContact O-N 3.42Å; P41-I43 VanDerWaalsContact O-N 3.15Å | ||
| 42 | G | 51.5 | Low | 50 | Low | 73 Ų | 73 | 143.2 Ų | 143.2 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -64.1 | 111.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | K40 T44 | K40-G42 PolarHBondContact O-N 3.29Å; G42-T44 PolarHBondContact O-N 2.92Å | ||
| 43 | I | 53.8 | Low | 51 | Low | 102 Ų | 102 | 138.4 Ų | 138.4 | 52% | 0.523 | 76% | 0.757 | S | S | . | * | trans | -76.4 | 111.2 | 170 | -68.2 | 139.8 | 0 | 0 | 0 | 107 | P41 R48 | P41-I43 PolarHBondContact O-N 3.42Å; P41-I43 VanDerWaalsContact O-N 3.15Å; I43-R48 VanDerWaalsContact CG1-NH2 3.3Å; I43-R48 HydrophobicContact CG2-CG 4.46Å | ||
| 44 | T | 54.6 | Low | 51.9 | Low | 103 Ų | 103 | 145 Ų | 145 | 63% | 0.632 | 76% | 0.759 | S | S | * | * | trans | -99.8 | 141.1 | 160.3 | 57.7 | 0 | 0 | 0 | 0 | 108.9 | G42 S46 G47 | G42-T44 PolarHBondContact O-N 2.92Å; T44-S46 PolarHBondContact O-N 3.45Å; T44-G47 PolarHBondContact O-N 2.97Å | ||
| 45 | N | 52.8 | Low | 52.2 | Low | 173 Ų | 173 | 147.2 Ų | 147.2 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 20 | -171.7 | -82.2 | -11.7 | 0 | 0 | 0 | 115.9 | ||
| 46 | S | 54 | Low | 52.6 | Low | 124 Ų | 124 | 156.2 Ų | 156.2 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 1 | 177.7 | -165.6 | 0 | 0 | 0 | 0 | 113.2 | T44 | T44-S46 PolarHBondContact O-N 3.45Š|
| 47 | G | 49.4 | Very low | 53.1 | Low | 39 Ų | 39 | 155.1 Ų | 155.1 | 40% | 0.402 | 76% | 0.763 | S | S | . | * | trans | -110.3 | -9.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | T44 N49 | T44-G47 PolarHBondContact O-N 2.97Å; G47-N49 PolarHBondContact O-N 3.13Å | ||
| 48 | R | 51.3 | Low | 53.8 | Low | 180 Ų | 180 | 155.5 Ų | 155.5 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -0.1 | -168.1 | -71.3 | -166 | -167.2 | 165.3 | 0.1 | 116.4 | I43 | I43-R48 VanDerWaalsContact CG1-NH2 3.3Å; I43-R48 HydrophobicContact CG2-CG 4.46Å |
| 49 | N | 53 | Low | 54.3 | Low | 167 Ų | 167 | 151.1 Ų | 151.1 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 4.5 | 174.8 | -69.5 | -14 | 0 | 0 | 0 | 113.6 | G47 | G47-N49 PolarHBondContact O-N 3.13Š|
| 50 | R | 54.7 | Low | 54.6 | Low | 222 Ų | 222 | 146.5 Ų | 146.5 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -92.4 | 119.3 | 170.2 | -72.7 | -173.2 | -176.7 | 169 | 2.2 | 108.9 | ||
| 51 | L | 59.2 | Low | 54.6 | Low | 140 Ų | 140 | 144.5 Ų | 144.5 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 131.5 | 171.9 | -66.7 | 169.5 | 0 | 0 | 0 | 109.1 | ||
| 52 | P | 56.6 | Low | 54.9 | Low | 79 Ų | 79 | 145.6 Ų | 145.6 | 51% | 0.513 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 139.4 | -177.4 | 23.2 | -32.1 | 0 | 0 | 0 | 110 | Y54 R55 | P52-Y54 PolarHBondContact O-N 3.09Å; P52-R55 HydrophobicContact CG-CG 4.49Å; P52-R55 PolarHBondContact O-N 3.33Å |
| 53 | P | 60.5 | Low | 54.8 | Low | 119 Ų | 119 | 149 Ų | 149 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 3.2 | -171.7 | 26.7 | -34 | 0 | 0 | 0 | 114.6 | ||
| 54 | Y | 54.4 | Low | 54.9 | Low | 219 Ų | 219 | 148.4 Ų | 148.4 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | 32 | -179.9 | -62.6 | -73.7 | 0 | 0 | 0 | 112.9 | P52 R56 | P52-Y54 PolarHBondContact O-N 3.09Å; Y54-R56 PolarHBondContact O-N 3.38Å |
| 55 | R | 54.1 | Low | 55.2 | Low | 193 Ų | 193 | 152 Ų | 152 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | trans | -79.5 | 104.8 | 156.2 | -98.1 | -170.2 | 178.1 | -164.5 | 1 | 107.9 | P52 P57 | P52-R55 HydrophobicContact CG-CG 4.49Å; P52-R55 PolarHBondContact O-N 3.33Å; R55-P57 VanDerWaalsContact O-CD 3.28Å; R55-P57 WeakPolarHBondContact O-CD 3.4Å | ||
| 56 | R | 54.5 | Low | 55 | Low | 236 Ų | 236 | 150.5 Ų | 150.5 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | trans | -46.9 | 114 | 163.4 | -138.8 | 175.4 | 176.7 | 176.9 | -2.7 | 106.8 | Y54 K58 | Y54-R56 PolarHBondContact O-N 3.38Å; R56-K58 PolarHBondContact O-N 3.26Å; R56-K58 VanDerWaalsContact O-N 3.11Å | ||
| 57 | P | 58 | Low | 55.2 | Low | 113 Ų | 113 | 151.5 Ų | 151.5 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | -58.8 | 122 | 175.2 | -17.6 | 29.5 | 0 | 0 | 0 | 106.3 | R55 Q59 | R55-P57 VanDerWaalsContact O-CD 3.28Å; R55-P57 WeakPolarHBondContact O-CD 3.4Å; P57-Q59 VanDerWaalsContact C-N 3.34Å; P57-Q59 PolarHBondContact O-N 3.21Å | ||
| 58 | K | 59.4 | Low | 55.6 | Low | 203 Ų | 203 | 158.7 Ų | 158.7 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -59.3 | 108.8 | 161.7 | -70.4 | -176 | 177.6 | -173.2 | 0 | 104.4 | R56 L60 | R56-K58 PolarHBondContact O-N 3.26Å; R56-K58 VanDerWaalsContact O-N 3.11Å; K58-L60 VanDerWaalsContact C-N 3.3Å; K58-L60 PolarHBondContact O-N 3.12Å | ||
| 59 | Q | 54.3 | Low | 55.4 | Low | 154 Ų | 154 | 158.6 Ų | 158.6 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -56.9 | 101.4 | 169.6 | -89 | -172.4 | -15.9 | 0 | 0 | 106.2 | P57 Q61 | P57-Q59 VanDerWaalsContact C-N 3.34Å; P57-Q59 PolarHBondContact O-N 3.21Å; Q59-Q61 HydrophobicContact CB-CG 3.93Å; Q59-Q61 PolarHBondContact O-N 3.28Å | ||
| 60 | L | 55.5 | Low | 55.4 | Low | 122 Ų | 122 | 155.7 Ų | 155.7 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | trans | -80.3 | 99.5 | 163.8 | -154.7 | 89.5 | 0 | 0 | 0 | 104 | K58 D62 | K58-L60 VanDerWaalsContact C-N 3.3Å; K58-L60 PolarHBondContact O-N 3.12Å; L60-D62 PolarHBondContact O-N 3.1Å | ||
| 61 | Q | 53.6 | Low | 55 | Low | 150 Ų | 150 | 147.8 Ų | 147.8 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 0.4 | -169.3 | -67.5 | 175.3 | 2.4 | 0 | 0 | 113.6 | Q59 | Q59-Q61 HydrophobicContact CB-CG 3.93Å; Q59-Q61 PolarHBondContact O-N 3.28Å |
| 62 | D | 57.2 | Low | 54.6 | Low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 26.7 | -165.3 | -66.8 | -43.3 | 0 | 0 | 0 | 117.2 | L60 | L60-D62 PolarHBondContact O-N 3.1Š|
| 63 | K | 50.3 | Low | 54.1 | Low | 145 Ų | 145 | 150.4 Ų | 150.4 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | trans | -138.4 | 99.5 | 172.2 | -70 | -173.6 | 179.1 | 178.7 | 0 | 112.1 | Q65 H66 | K63-Q65 PolarHBondContact O-N 3.39Å; K63-H66 PolarHBondContact O-CD2 2.74Å | ||
| 64 | G | 56.2 | Low | 53.1 | Low | 89 Ų | 89 | 156.1 Ų | 156.1 | 92% | 0.918 | 76% | 0.763 | S | S | * | * | trans | -63.5 | 64.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 65 | Q | 59.3 | Low | 52.5 | Low | 177 Ų | 177 | 150.6 Ų | 150.6 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | -136.7 | 28.4 | 173.5 | -57.6 | -162.2 | 32.4 | 0 | 0 | 112.1 | K63 | K63-Q65 PolarHBondContact O-N 3.39Š| ||
| 66 | H | 50 | Low | 52.1 | Low | 143 Ų | 143 | 144.9 Ų | 144.9 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | trans | -82.1 | 125.7 | -177.5 | -82.2 | -85.6 | 0 | 0 | 0 | 112.2 | K63 | K63-H66 PolarHBondContact O-CD2 2.74Š| ||
| 67 | D | 57.3 | Low | 51.9 | Low | 145 Ų | 145 | 138.9 Ų | 138.9 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 84.5 | 12.2 | 157.9 | -56.9 | -10.2 | 0 | 0 | 0 | 122 | ||
| 68 | H | 58.9 | Low | 51.4 | Low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.875 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -115.5 | 11.3 | 169.1 | -66.1 | -53.7 | 0 | 0 | 0 | 115.8 | ||
| 69 | F | 46.1 | Very low | 51.2 | Low | 179 Ų | 179 | 135.8 Ų | 135.8 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | -116.5 | 88 | 173.9 | -171.5 | -107.3 | 0 | 0 | 0 | 110.8 | G71 | F69-G71 PolarHBondContact O-N 2.99Š| ||
| 70 | V | 53.7 | Low | 51.3 | Low | 105 Ų | 105 | 133.2 Ų | 133.2 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | trans | -71.6 | 119.2 | 168.3 | -100.7 | 0 | 0 | 0 | 0 | 109 | F73 | V70-F73 HydrophobicContact CB-CE1 4.27Å; V70-F73 HydrophobicContact CG2-CE1 3.8Å; V70-F73 HydrophobicContact CG2-CZ 3.91Å; V70-F73 WeakPolarHBondContact O-CZ 3.22Å | ||
| 71 | G | 46.5 | Very low | 51.7 | Low | 57 Ų | 57 | 132.9 Ų | 132.9 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -56.7 | 145.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F69 | F69-G71 PolarHBondContact O-N 2.99Š|
| 72 | S | 50.5 | Low | 52.7 | Low | 112 Ų | 112 | 126.5 Ų | 126.5 | 78% | 0.783 | 70% | 0.699 | S | S | * | * | trans | 62.4 | 66.6 | 161.1 | -67.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 73 | F | 45.6 | Very low | 54.1 | Low | 161 Ų | 161 | 119.6 Ų | 119.6 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | trans | -103.8 | 70.1 | 139.6 | 17.6 | -92.5 | 0 | 0 | 0 | 108.7 | V70 | V70-F73 HydrophobicContact CB-CE1 4.27Å; V70-F73 HydrophobicContact CG2-CE1 3.8Å; V70-F73 HydrophobicContact CG2-CZ 3.91Å; V70-F73 WeakPolarHBondContact O-CZ 3.22Å | ||
| 74 | R | 39.5 | Very low | 56.1 | Low | 239 Ų | 239 | 116.1 Ų | 116.1 | 90% | 0.902 | 65% | 0.647 | S | S | * | * | trans | -102.6 | 79 | 167 | -73.9 | -173.2 | 170.9 | -161.5 | -1.9 | 108 | ||||
| 75 | A | 42.3 | Very low | 57.8 | Low | 103 Ų | 103 | 111.9 Ų | 111.9 | 85% | 0.851 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 167.1 | 109.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 76 | G | 45.7 | Very low | 59.5 | Low | 73 Ų | 73 | 106.2 Ų | 106.2 | 75% | 0.753 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 161.5 | -58.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 77 | N | 49.1 | Very low | 61.5 | Low | 111 Ų | 111 | 99.4 Ų | 99.4 | 59% | 0.594 | 55% | 0.547 | S | S | * | . | trans | -129.1 | 98.6 | -172.4 | -74.8 | -10.3 | 0 | 0 | 0 | 111.2 | M79 D80 | N77-M79 PolarHBondContact O-N 3.48Å; N77-D80 WeakPolarHBondContact CB-OD2 3.46Å; N77-D80 PolarHBondContact ND2-OD2 3.34Å; N77-D80 PolarHBondContact O-N 2.92Å | ||
| 78 | H | 48.8 | Very low | 63.3 | Low | 137 Ų | 137 | 93.8 Ų | 93.8 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 43.3 | 168.6 | -178 | -130 | 0 | 0 | 0 | 111.7 | R110 | H78-R110 PolarHBondContact CD2-NH1 2.96Å; H78-R110 PolarHBondContact CE1-NH1 3.39Å; H78-R110 PolarHBondContact CE1-NH2 2.94Å; H78-R110 PolarHBondContact ND1-NH2 3.42Å; H78-R110 VanDerWaalsContact NE2-CZ 3.34Å; H78-R110 PolarHBondContact NE2-NH1 3.49Å; H78-R110 PolarHBondContact O-NH1 3.25Å; H78-R110 PolarHBondContact O-NH2 3.05Å; H78-R110 VanDerWaalsContact O-NH2 3.08Å |
| 79 | M | 53.8 | Low | 64.9 | Low | 114 Ų | 114 | 87.8 Ų | 87.8 | 56% | 0.562 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | -25.2 | 176.6 | -73.2 | -74.6 | 146.8 | 0 | 0 | 110.8 | N77 | N77-M79 PolarHBondContact O-N 3.48Š|
| 80 | D | 57.1 | Low | 67.1 | Low | 100 Ų | 100 | 79.5 Ų | 79.5 | 54% | 0.535 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -94 | -13.5 | -171.4 | -55.2 | -39.2 | 0 | 0 | 0 | 113.7 | N77 | N77-D80 WeakPolarHBondContact CB-OD2 3.46Å; N77-D80 PolarHBondContact ND2-OD2 3.34Å; N77-D80 PolarHBondContact O-N 2.92Å |
| 81 | T | 65.1 | Low | 68.9 | Low | 114 Ų | 114 | 77.8 Ų | 77.8 | 70% | 0.699 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -81.4 | -22.5 | 175.3 | -45.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 82 | G | 74 | Confident | 71 | Confident | 17 Ų | 17 | 80.4 Ų | 80.4 | 18% | 0.175 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -84.3 | 156.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F130 | G82-F130 WeakPolarHBondContact CA-O 3.36Š|
| 83 | G | 86.1 | Confident | 72.9 | Confident | 2 Ų | 2 | 77.7 Ų | 77.7 | 2% | 0.021 | 43% | 0.427 | C | S | . | . | trans | -86.8 | 112.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F130 | G83-F130 PolarHBondContact N-O 3.35Å; G83-F130 PolarHBondContact O-N 2.76Å | ||
| 84 | K | 91.6 | Very high | 75 | Confident | 72 Ų | 72 | 70.3 Ų | 70.3 | 31% | 0.313 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.6 | 171 | -178.1 | 173.9 | -178.6 | 166.3 | 0 | 109.8 | V128 H129 V158 | K84-V128 CarbonylContact C-O 3.55Å; K84-V128 WeakPolarHBondContact CA-O 3.27Å; K84-H129 VanDerWaalsContact CD-NE2 3.28Å; K84-H129 WeakPolarHBondContact CD-NE2 3.4Å; K84-H129 WeakPolarHBondContact CE-NE2 3.49Å; K84-H129 PolarHBondContact NZ-NE2 2.87Å; K84-V158 HydrophobicContact CB-CB 4.15Å; K84-V158 HydrophobicContact CD-CB 4.11Å; K84-V158 HydrophobicContact CD-CG1 4.17Å; K84-V158 HydrophobicContact CG-CB 3.94Å; K84-V158 HydrophobicContact CG-CG2 4.3Å; K84-V158 PolarHBondContact O-N 3.28Å |
| 85 | L | 93 | Very high | 77.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 140.5 | 172.2 | -59.8 | -175.7 | 0 | 0 | 0 | 110.2 | F103 H127 V128 F130 A136 A139 M140 I155 Q156 L157 | L85-F103 HydrophobicContact CD1-CE1 4.32Å; L85-H127 CarbonylContact O-C 3.58Å; L85-H127 VanDerWaalsContact O-CA 3.28Å; L85-H127 WeakPolarHBondContact O-CA 3.43Å; L85-V128 HydrophobicContact CB-CB 4.5Å; L85-V128 PolarHBondContact N-O 3.49Å; L85-V128 PolarHBondContact O-N 2.98Å; L85-F130 HydrophobicContact CD1-CD2 4.17Å; L85-F130 HydrophobicContact CD1-CE2 3.61Å; L85-F130 HydrophobicContact CG-CD2 4.31Å; L85-F130 HydrophobicContact CG-CE2 4.2Å; L85-A136 HydrophobicContact CD1-CB 4.24Å; L85-A136 WeakPolarHBondContact CD1-O 3.46Å; L85-A136 HydrophobicContact CD2-CB 3.95Å; L85-A136 HydrophobicContact CG-CB 3.97Å; L85-A139 HydrophobicContact CD1-CB 3.98Å; L85-M140 HydrophobicContact CD2-CB 4.28Å; L85-I155 HydrophobicContact CB-CG2 4.16Å; L85-I155 HydrophobicContact CD1-CG2 3.85Å; L85-I155 HydrophobicContact CD2-CG2 4.2Å; L85-I155 HydrophobicContact CG-CG2 4.3Å; L85-Q156 CarbonylContact C-O 3.6Å; L85-Q156 WeakPolarHBondContact CA-O 3.23Å; L85-L157 HydrophobicContact CD2-CB 4.25Å; L85-L157 HydrophobicContact CD2-CD1 3.79Å |
| 86 | L | 93.8 | Very high | 79.9 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 30% | 0.304 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 124.2 | 167.2 | -179 | 70.3 | 0 | 0 | 0 | 108 | Q156 V158 | L86-Q156 PolarHBondContact N-O 3.04Å; L86-Q156 PolarHBondContact O-N 3.41Å; L86-V158 HydrophobicContact CB-CG2 3.55Å |
| 87 | L | 94 | Very high | 82.1 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.1 | 177.2 | -53.1 | 174.4 | 0 | 0 | 0 | 108.3 | L90 I99 F103 T125 A126 V128 M153 N154 I155 | L87-L90 HydrophobicContact CB-CD1 3.92Å; L87-L90 HydrophobicContact CB-CD2 4.38Å; L87-L90 HydrophobicContact CB-CG 4.31Å; L87-L90 HydrophobicContact CD1-CD1 4.42Å; L87-I99 HydrophobicContact CD1-CD1 4.3Å; L87-I99 HydrophobicContact CD1-CG2 3.87Å; L87-F103 HydrophobicContact CD1-CD2 4.15Å; L87-F103 HydrophobicContact CD1-CE2 3.33Å; L87-F103 HydrophobicContact CD1-CZ 3.65Å; L87-F103 HydrophobicContact CD2-CE1 4.12Å; L87-F103 HydrophobicContact CD2-CE2 4.03Å; L87-F103 HydrophobicContact CD2-CZ 3.4Å; L87-F103 HydrophobicContact CG-CE2 4.33Å; L87-F103 HydrophobicContact CG-CZ 4.17Å; L87-T125 CarbonylContact O-C 3.57Å; L87-T125 VanDerWaalsContact O-CA 3.23Å; L87-T125 WeakPolarHBondContact O-CA 3.27Å; L87-A126 HydrophobicContact CB-CB 4.25Å; L87-A126 HydrophobicContact CD1-CB 4.19Å; L87-A126 PolarHBondContact N-O 2.94Å; L87-A126 PolarHBondContact O-N 2.9Å; L87-V128 HydrophobicContact CD1-CG2 3.79Å; L87-M153 HydrophobicContact CD2-SD 4.04Å; L87-N154 CarbonylContact C-O 3.55Å; L87-N154 WeakPolarHBondContact CA-O 3.46Å; L87-I155 HydrophobicContact CD2-CB 4.04Å; L87-I155 HydrophobicContact CD2-CD1 3.72Å; L87-I155 HydrophobicContact CD2-CG1 3.5Å; L87-I155 VanDerWaalsContact CD2-CG1 3.5Å; L87-I155 HydrophobicContact CD2-CG2 3.76Å |
| 88 | S | 93.1 | Very high | 84.2 | Confident | 27 Ų | 27 | 55.3 Ų | 55.3 | 19% | 0.189 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 160.2 | 178.6 | 58.7 | 0 | 0 | 0 | 0 | 110.6 | L90 N154 | S88-L90 VanDerWaalsContact C-N 3.33Å; S88-L90 PolarHBondContact O-N 3.17Å; S88-N154 PolarHBondContact N-O 3.12Å; S88-N154 PolarHBondContact O-N 2.69Å; S88-N154 VanDerWaalsContact OG-CB 3.31Å; S88-N154 WeakPolarHBondContact OG-CB 3.4Å; S88-N154 PolarHBondContact OG-ND2 3.18Å; S88-N154 VanDerWaalsContact OG-ND2 3.08Å; S88-N154 PolarHBondContact OG-O 3.4Å |
| 89 | N | 93.7 | Very high | 86.3 | Confident | 62 Ų | 62 | 49 Ų | 49 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 63.3 | 32.1 | -176.3 | -162.5 | 40.8 | 0 | 0 | 0 | 114.6 | G124 R151 P152 | N89-G124 PolarHBondContact N-O 2.77Å; N89-R151 PolarHBondContact OD1-NE 3.46Å; N89-R151 PolarHBondContact OD1-NH2 2.88Å; N89-P152 PolarHBondContact ND2-O 2.77Å |
| 90 | L | 92.1 | Very high | 88.2 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | trans | -75.2 | 150.3 | 174.3 | -57.6 | 178.9 | 0 | 0 | 0 | 111.3 | L87 S88 I99 G124 A126 L148 R151 M153 | L87-L90 HydrophobicContact CB-CD1 3.92Å; L87-L90 HydrophobicContact CB-CD2 4.38Å; L87-L90 HydrophobicContact CB-CG 4.31Å; L87-L90 HydrophobicContact CD1-CD1 4.42Å; S88-L90 VanDerWaalsContact C-N 3.33Å; S88-L90 PolarHBondContact O-N 3.17Å; L90-I99 HydrophobicContact CD1-CD1 3.66Å; L90-G124 PolarHBondContact N-O 3.04Å; L90-G124 WeakPolarHBondContact O-CA 3.34Å; L90-A126 HydrophobicContact CD1-CB 3.76Å; L90-L148 HydrophobicContact CD2-CD2 4.48Å; L90-R151 PolarHBondContact O-NH1 3.02Å; L90-M153 HydrophobicContact CD2-CB 4.16Å; L90-M153 HydrophobicContact CD2-CG 3.63Å; L90-M153 HydrophobicContact CD2-SD 3.58Å; L90-M153 VanDerWaalsContact CD2-SD 3.58Å | ||
| 91 | H | 91.6 | Very high | 89.9 | Confident | 69 Ų | 69 | 51 Ų | 51 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | trans | -67.7 | 145 | 171.3 | -178.2 | -112.7 | 0 | 0 | 0 | 110.9 | G93 V94 D149 | H91-G93 PolarHBondContact ND1-N 3.3Å; H91-G93 PolarHBondContact O-N 3.46Å; H91-V94 HydrophobicContact CB-CG2 4.11Å; H91-V94 WeakPolarHBondContact O-CB 3.35Å; H91-V94 WeakPolarHBondContact O-CG2 3.21Å; H91-V94 PolarHBondContact O-N 3.47Å; H91-V94 VanDerWaalsContact O-N 3.1Å; H91-D149 HydrophobicContact CB-CB 3.68Å; H91-D149 IonicContact CG-OD2 3.76Å; H91-D149 IonicContact ND1-OD2 3.27Å; H91-D149 PolarHBondContact ND1-OD2 3.35Å | ||
| 92 | F | 91.1 | Very high | 91.2 | Very high | 113 Ų | 113 | 47.6 Ų | 47.6 | 50% | 0.496 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20.6 | -171.8 | -57.8 | -59.9 | 0 | 0 | 0 | 113.5 | V94 S122 | F92-V94 VanDerWaalsContact C-N 3.32Å; F92-S122 WeakPolarHBondContact CD1-O 3.46Å; F92-S122 WeakPolarHBondContact CE1-O 3.43Å; F92-S122 WeakPolarHBondContact O-CB 3.14Å; F92-S122 PolarHBondContact O-OG 3.03Å |
| 93 | G | 89.7 | Confident | 92 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 56% | 0.557 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -8.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | H91 S95 | H91-G93 PolarHBondContact ND1-N 3.3Å; H91-G93 PolarHBondContact O-N 3.46Å; G93-S95 PolarHBondContact O-N 3.29Å |
| 94 | V | 90.5 | Very high | 92.4 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | trans | -73 | 117.7 | -179.5 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | H91 F92 D98 I99 L148 | H91-V94 HydrophobicContact CB-CG2 4.11Å; H91-V94 WeakPolarHBondContact O-CB 3.35Å; H91-V94 WeakPolarHBondContact O-CG2 3.21Å; H91-V94 PolarHBondContact O-N 3.47Å; H91-V94 VanDerWaalsContact O-N 3.1Å; F92-V94 VanDerWaalsContact C-N 3.32Å; V94-D98 HydrophobicContact CG1-CB 4.3Å; V94-I99 HydrophobicContact CG1-CD1 4.02Å; V94-I99 HydrophobicContact CG1-CG1 3.55Å; V94-L148 HydrophobicContact CG2-CD2 3.91Å; V94-L148 HydrophobicContact CG2-CG 4.46Å | ||
| 95 | S | 91.4 | Very high | 92.3 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | trans | -91.5 | 166.5 | 178 | 74.8 | 0 | 0 | 0 | 0 | 112.2 | G93 A97 D98 I99 | G93-S95 PolarHBondContact O-N 3.29Å; S95-A97 PolarHBondContact O-N 3.04Å; S95-A97 PolarHBondContact OG-N 2.99Å; S95-D98 WeakPolarHBondContact CB-OD2 3.28Å; S95-D98 PolarHBondContact N-OD2 3.34Å; S95-D98 PolarHBondContact O-N 2.71Å; S95-D98 VanDerWaalsContact O-N 3.13Å; S95-D98 VanDerWaalsContact OG-CG 3.26Å; S95-D98 PolarHBondContact OG-N 3.44Å; S95-D98 PolarHBondContact OG-OD2 3.26Å; S95-I99 PolarHBondContact O-N 3.48Å | ||
| 96 | D | 92.4 | Very high | 92.2 | Very high | 57 Ų | 57 | 54 Ų | 54 | 31% | 0.305 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.6 | -35 | 174.4 | -175.7 | 32.6 | 0 | 0 | 0 | 111.9 | D98 I99 Q100 S112 A113 V114 | D96-D98 VanDerWaalsContact C-N 3.33Å; D96-D98 PolarHBondContact O-N 3.26Å; D96-I99 PolarHBondContact O-N 3.12Å; D96-Q100 WeakPolarHBondContact O-CB 3.48Å; D96-Q100 PolarHBondContact O-N 3.04Å; D96-S112 VanDerWaalsContact OD1-C 3.23Å; D96-S112 VanDerWaalsContact OD1-CB 3.23Å; D96-S112 WeakPolarHBondContact OD1-CB 3.48Å; D96-S112 PolarHBondContact OD1-OG 3.42Å; D96-A113 PolarHBondContact OD1-N 3.28Å; D96-V114 HydrophobicContact CB-CG2 4.27Å |
| 97 | A | 93 | Very high | 91.9 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S95 K101 | S95-A97 PolarHBondContact O-N 3.04Å; S95-A97 PolarHBondContact OG-N 2.99Å; A97-K101 VanDerWaalsContact O-CG 3.27Å; A97-K101 WeakPolarHBondContact O-CG 3.37Å; A97-K101 PolarHBondContact O-N 3.06Å |
| 98 | D | 92.3 | Very high | 91.8 | Very high | 70 Ų | 70 | 55.6 Ų | 55.6 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.2 | -42 | 179.6 | -55.7 | -45.2 | 0 | 0 | 0 | 110.8 | V94 S95 D96 Q100 K101 L102 | V94-D98 HydrophobicContact CG1-CB 4.3Å; S95-D98 WeakPolarHBondContact CB-OD2 3.28Å; S95-D98 PolarHBondContact N-OD2 3.34Å; S95-D98 PolarHBondContact O-N 2.71Å; S95-D98 VanDerWaalsContact O-N 3.13Å; S95-D98 VanDerWaalsContact OG-CG 3.26Å; S95-D98 PolarHBondContact OG-N 3.44Å; S95-D98 PolarHBondContact OG-OD2 3.26Å; D96-D98 VanDerWaalsContact C-N 3.33Å; D96-D98 PolarHBondContact O-N 3.26Å; D98-Q100 VanDerWaalsContact C-N 3.33Å; D98-Q100 PolarHBondContact O-N 2.99Å; D98-K101 PolarHBondContact O-N 3.14Å; D98-L102 VanDerWaalsContact O-CB 3.28Å; D98-L102 WeakPolarHBondContact O-CB 3.46Å; D98-L102 PolarHBondContact O-N 3.44Å |
| 99 | I | 92.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 173.6 | -61.5 | -172.2 | 0 | 0 | 0 | 110.4 | L87 L90 V94 S95 D96 K101 L102 F103 V114 A126 V128 | L87-I99 HydrophobicContact CD1-CD1 4.3Å; L87-I99 HydrophobicContact CD1-CG2 3.87Å; L90-I99 HydrophobicContact CD1-CD1 3.66Å; V94-I99 HydrophobicContact CG1-CD1 4.02Å; V94-I99 HydrophobicContact CG1-CG1 3.55Å; S95-I99 PolarHBondContact O-N 3.48Å; D96-I99 PolarHBondContact O-N 3.12Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.25Å; I99-L102 PolarHBondContact O-N 3.38Å; I99-F103 HydrophobicContact CG2-CD2 3.68Å; I99-F103 HydrophobicContact CG2-CE2 4.07Å; I99-F103 WeakPolarHBondContact O-CD2 3.37Å; I99-F103 PolarHBondContact O-N 3.31Å; I99-V114 HydrophobicContact CD1-CG2 3.37Å; I99-V114 HydrophobicContact CG1-CG2 4.24Å; I99-A126 HydrophobicContact CD1-CB 3.27Å; I99-V128 HydrophobicContact CG2-CG2 3.52Å |
| 100 | Q | 93.5 | Very high | 91.6 | Very high | 106 Ų | 106 | 57.5 Ų | 57.5 | 50% | 0.495 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 178.3 | -171.3 | -178.8 | 8.5 | 0 | 0 | 111.3 | D96 D98 A104 | D96-Q100 WeakPolarHBondContact O-CB 3.48Å; D96-Q100 PolarHBondContact O-N 3.04Å; D98-Q100 VanDerWaalsContact C-N 3.33Å; D98-Q100 PolarHBondContact O-N 2.99Å; Q100-A104 WeakPolarHBondContact O-CB 3.44Å; Q100-A104 PolarHBondContact O-N 3.26Å |
| 101 | K | 93.2 | Very high | 91.6 | Very high | 151 Ų | 151 | 63.3 Ų | 63.3 | 66% | 0.657 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 177.3 | -72.1 | 169.3 | -173.3 | 172.3 | 0 | 112.2 | A97 D98 I99 A104 | A97-K101 VanDerWaalsContact O-CG 3.27Å; A97-K101 WeakPolarHBondContact O-CG 3.37Å; A97-K101 PolarHBondContact O-N 3.06Å; D98-K101 PolarHBondContact O-N 3.14Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.25Å; K101-A104 PolarHBondContact O-N 3.25Å |
| 102 | L | 91.3 | Very high | 91.6 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -45.2 | -176.9 | -176.8 | 64.9 | 0 | 0 | 0 | 112 | D98 I99 Y143 L148 M153 | D98-L102 VanDerWaalsContact O-CB 3.28Å; D98-L102 WeakPolarHBondContact O-CB 3.46Å; D98-L102 PolarHBondContact O-N 3.44Å; I99-L102 PolarHBondContact O-N 3.38Å; L102-Y143 HydrophobicContact CD1-CD2 4.45Å; L102-Y143 HydrophobicContact CD1-CE1 4.22Å; L102-Y143 HydrophobicContact CD1-CE2 3.56Å; L102-Y143 VanDerWaalsContact CD1-CZ 3.46Å; L102-Y143 WeakPolarHBondContact CD1-OH 3.46Å; L102-Y143 HydrophobicContact CD2-CD2 4.34Å; L102-Y143 HydrophobicContact CD2-CE2 4.18Å; L102-Y143 HydrophobicContact CG-CD2 4.11Å; L102-Y143 HydrophobicContact CG-CE2 3.49Å; L102-Y143 VanDerWaalsContact CG-CE2 3.49Å; L102-L148 HydrophobicContact CD2-CD1 4.5Å; L102-L148 HydrophobicContact CD2-CD2 4.2Å; L102-M153 HydrophobicContact CD2-CE 4.03Å |
| 103 | F | 92.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -84 | -17.3 | -177.8 | -76.8 | -83.6 | 0 | 0 | 0 | 113.4 | L85 L87 I99 E105 F106 L109 V128 F130 A139 Y143 M153 I155 | L85-F103 HydrophobicContact CD1-CE1 4.32Å; L87-F103 HydrophobicContact CD1-CD2 4.15Å; L87-F103 HydrophobicContact CD1-CE2 3.33Å; L87-F103 HydrophobicContact CD1-CZ 3.65Å; L87-F103 HydrophobicContact CD2-CE1 4.12Å; L87-F103 HydrophobicContact CD2-CE2 4.03Å; L87-F103 HydrophobicContact CD2-CZ 3.4Å; L87-F103 HydrophobicContact CG-CE2 4.33Å; L87-F103 HydrophobicContact CG-CZ 4.17Å; I99-F103 HydrophobicContact CG2-CD2 3.68Å; I99-F103 HydrophobicContact CG2-CE2 4.07Å; I99-F103 WeakPolarHBondContact O-CD2 3.37Å; I99-F103 PolarHBondContact O-N 3.31Å; F103-E105 PolarHBondContact O-N 3.02Å; F103-F106 HydrophobicContact CD1-CD2 4.32Å; F103-F106 HydrophobicContact CD1-CE2 4.37Å; F103-F106 PolarHBondContact O-N 3.46Å; F103-L109 HydrophobicContact CB-CD1 4.31Å; F103-L109 HydrophobicContact CB-CD2 4Å; F103-V128 HydrophobicContact CB-CG1 4.31Å; F103-V128 HydrophobicContact CD2-CG2 4.14Å; F103-V128 HydrophobicContact CG-CG1 4.46Å; F103-V128 HydrophobicContact CG-CG2 4.31Å; F103-F130 HydrophobicContact CB-CZ 3.92Å; F103-F130 HydrophobicContact CD1-CE2 4.18Å; F103-F130 AromaticContact CD1-CZ 3.86Å; F103-F130 HydrophobicContact CD1-CZ 3.86Å; F103-F130 HydrophobicContact CG-CZ 4.32Å; F103-A139 HydrophobicContact CD1-CB 3.85Å; F103-A139 HydrophobicContact CE1-CB 3.97Å; F103-Y143 HydrophobicContact CD1-CD2 4.5Å; F103-Y143 HydrophobicContact CE1-CD2 4.04Å; F103-Y143 HydrophobicContact CZ-CD2 4.15Å; F103-M153 HydrophobicContact CE2-SD 4.2Å; F103-M153 HydrophobicContact CZ-CE 4.43Å; F103-M153 HydrophobicContact CZ-SD 3.96Å; F103-I155 HydrophobicContact CE1-CD1 3.91Å; F103-I155 HydrophobicContact CZ-CD1 3.74Å |
| 104 | A | 92.6 | Very high | 91.9 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 44% | 0.438 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.3 | -22.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q100 K101 F106 L109 | Q100-A104 WeakPolarHBondContact O-CB 3.44Å; Q100-A104 PolarHBondContact O-N 3.26Å; K101-A104 PolarHBondContact O-N 3.25Å; A104-F106 VanDerWaalsContact C-N 3.27Å; A104-F106 PolarHBondContact O-N 3.4Å; A104-L109 HydrophobicContact CB-CD1 3.94Å |
| 105 | E | 91.3 | Very high | 92.1 | Very high | 146 Ų | 146 | 57.4 Ų | 57.4 | 68% | 0.682 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -28.3 | 177.2 | -171.8 | 174.2 | 177.2 | 0 | 0 | 113.2 | F103 Y143 | F103-E105 PolarHBondContact O-N 3.02Å; E105-Y143 PolarHBondContact OE2-OH 2.93Å |
| 106 | F | 89.5 | Confident | 92.2 | Very high | 26 Ų | 26 | 60.8 Ų | 60.8 | 11% | 0.114 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -25.9 | -178.4 | -56.2 | -70.1 | 0 | 0 | 0 | 114.6 | F103 A104 K138 A139 E142 Y143 | F103-F106 HydrophobicContact CD1-CD2 4.32Å; F103-F106 HydrophobicContact CD1-CE2 4.37Å; F103-F106 PolarHBondContact O-N 3.46Å; A104-F106 VanDerWaalsContact C-N 3.27Å; A104-F106 PolarHBondContact O-N 3.4Å; F106-K138 HydrophobicContact CD1-CD 4.05Å; F106-K138 HydrophobicContact CD1-CG 4.15Å; F106-A139 HydrophobicContact CB-CB 4.22Å; F106-A139 HydrophobicContact CD2-CB 3.33Å; F106-A139 HydrophobicContact CE2-CB 3.6Å; F106-A139 HydrophobicContact CG-CB 3.85Å; F106-A139 HydrophobicContact CZ-CB 4.43Å; F106-E142 HydrophobicContact CE1-CB 3.88Å; F106-E142 HydrophobicContact CE1-CG 3.94Å; F106-E142 HydrophobicContact CZ-CB 3.87Å; F106-E142 HydrophobicContact CZ-CG 4.44Å; F106-Y143 HydrophobicContact CD2-CD2 4.41Å; F106-Y143 HydrophobicContact CD2-CE2 4.11Å; F106-Y143 AromaticContact CE2-CD2 3.18Å; F106-Y143 HydrophobicContact CE2-CD2 3.18Å; F106-Y143 AromaticContact CE2-CE2 2.97Å; F106-Y143 HydrophobicContact CE2-CE2 2.97Å; F106-Y143 HydrophobicContact CE2-CG 4.06Å; F106-Y143 AromaticContact CE2-CZ 3.75Å; F106-Y143 HydrophobicContact CZ-CD1 4.26Å; F106-Y143 AromaticContact CZ-CD2 3.49Å; F106-Y143 HydrophobicContact CZ-CD2 3.49Å; F106-Y143 VanDerWaalsContact CZ-CD2 3.49Å; F106-Y143 HydrophobicContact CZ-CE1 4.07Å; F106-Y143 AromaticContact CZ-CE2 3.22Å; F106-Y143 HydrophobicContact CZ-CE2 3.22Å; F106-Y143 AromaticContact CZ-CG 3.95Å; F106-Y143 HydrophobicContact CZ-CG 3.95Å; F106-Y143 AromaticContact CZ-CZ 3.51Å |
| 107 | G | 89 | Confident | 92.3 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 172 | -177 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | L109 | G107-L109 WeakPolarHBondContact O-CD1 3.45Å; G107-L109 PolarHBondContact O-N 3.42Å |
| 108 | T | 91.6 | Very high | 92.3 | Very high | 72 Ų | 72 | 71.5 Ų | 71.5 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | trans | -77 | 118.9 | -177.2 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | E131 | T108-E131 PolarHBondContact O-N 3.5Å; T108-E131 WeakPolarHBondContact OG1-CB 3.1Å; T108-E131 PolarHBondContact OG1-OE2 3.19Å | ||
| 109 | L | 91.5 | Very high | 92.2 | Very high | 41 Ų | 41 | 71.7 Ų | 71.7 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 132.7 | 173.8 | -71.4 | 86 | 0 | 0 | 0 | 109.9 | F103 A104 G107 V128 F130 | F103-L109 HydrophobicContact CB-CD1 4.31Å; F103-L109 HydrophobicContact CB-CD2 4Å; A104-L109 HydrophobicContact CB-CD1 3.94Å; G107-L109 WeakPolarHBondContact O-CD1 3.45Å; G107-L109 PolarHBondContact O-N 3.42Å; L109-V128 HydrophobicContact CD2-CG1 3.53Å; L109-V128 HydrophobicContact CG-CG1 4.04Å; L109-F130 HydrophobicContact CD1-CE1 4.23Å; L109-F130 HydrophobicContact CG-CE1 4.25Å |
| 110 | R | 90.7 | Very high | 92 | Very high | 89 Ų | 89 | 74 Ų | 74 | 34% | 0.336 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -36.4 | 168.4 | -69.5 | -170.6 | 59.3 | -154.7 | -12.9 | 112.4 | H78 H129 E131 | H78-R110 PolarHBondContact CD2-NH1 2.96Å; H78-R110 PolarHBondContact CE1-NH1 3.39Å; H78-R110 PolarHBondContact CE1-NH2 2.94Å; H78-R110 PolarHBondContact ND1-NH2 3.42Å; H78-R110 VanDerWaalsContact NE2-CZ 3.34Å; H78-R110 PolarHBondContact NE2-NH1 3.49Å; H78-R110 PolarHBondContact O-NH1 3.25Å; H78-R110 PolarHBondContact O-NH2 3.05Å; H78-R110 VanDerWaalsContact O-NH2 3.08Å; R110-H129 HydrophobicContact CB-CB 4.38Å; R110-H129 PolarHBondContact N-O 3.01Å; R110-E131 HydrophobicContact CG-CB 4.06Å |
| 111 | K | 91.1 | Very high | 91.8 | Very high | 126 Ų | 126 | 74.8 Ų | 74.8 | 55% | 0.548 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 139.1 | 178.5 | -169.3 | 169.8 | -177.9 | 175 | 0 | 110.4 | H129 | K111-H129 HydrophobicContact CB-CB 4.17Å; K111-H129 PolarHBondContact N-O 3.49Å; K111-H129 PolarHBondContact O-N 2.91Å |
| 112 | S | 92.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 68.3 Ų | 68.3 | 11% | 0.105 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 149.2 | 162.6 | 56.3 | 0 | 0 | 0 | 0 | 108.3 | D96 H127 | D96-S112 VanDerWaalsContact OD1-C 3.23Å; D96-S112 VanDerWaalsContact OD1-CB 3.23Å; D96-S112 WeakPolarHBondContact OD1-CB 3.48Å; D96-S112 PolarHBondContact OD1-OG 3.42Å; S112-H127 WeakPolarHBondContact CA-O 3.04Å |
| 113 | A | 92.8 | Very high | 91.8 | Very high | 22 Ų | 22 | 71 Ų | 71 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 132.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | D96 A126 H127 | D96-A113 PolarHBondContact OD1-N 3.28Å; A113-A126 CarbonylContact O-C 3.59Å; A113-A126 VanDerWaalsContact O-CA 3.3Å; A113-A126 WeakPolarHBondContact O-CA 3.47Å; A113-A126 WeakPolarHBondContact O-CB 3.37Å; A113-H127 PolarHBondContact N-O 3.34Å; A113-H127 PolarHBondContact O-N 3.43Å |
| 114 | V | 94.4 | Very high | 91.7 | Very high | 16 Ų | 16 | 71.1 Ų | 71.1 | 10% | 0.097 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 140.9 | 166.4 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | D96 I99 Y116 A126 | D96-V114 HydrophobicContact CB-CG2 4.27Å; I99-V114 HydrophobicContact CD1-CG2 3.37Å; I99-V114 HydrophobicContact CG1-CG2 4.24Å; V114-Y116 HydrophobicContact CB-CD2 4.4Å; V114-Y116 HydrophobicContact CB-CE2 3.65Å; V114-Y116 HydrophobicContact CG1-CD2 4.31Å; V114-Y116 HydrophobicContact CG1-CE1 4.04Å; V114-Y116 HydrophobicContact CG1-CE2 3.81Å; V114-Y116 WeakPolarHBondContact O-CD2 3.36Å; V114-A126 HydrophobicContact CG2-CB 4.15Å |
| 115 | H | 94.3 | Very high | 91.8 | Very high | 67 Ų | 67 | 70.6 Ų | 70.6 | 31% | 0.31 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122 | 173 | -66.2 | -74.3 | 0 | 0 | 0 | 110 | L123 T125 H127 | H115-L123 HydrophobicContact CB-CB 4.34Å; H115-L123 HydrophobicContact CB-CD1 4.08Å; H115-L123 WeakPolarHBondContact O-CB 3.34Å; H115-L123 PolarHBondContact O-N 2.93Å; H115-T125 WeakPolarHBondContact CB-O 3.28Å; H115-T125 WeakPolarHBondContact CB-OG1 3.35Å; H115-T125 PolarHBondContact N-O 3.34Å; H115-H127 AromaticContact CE1-CE1 3.68Å; H115-H127 AromaticContact CE1-ND1 3.27Å; H115-H127 PolarHBondContact CE1-ND1 3.02Å; H115-H127 VanDerWaalsContact CE1-ND1 3.27Å; H115-H127 AromaticContact NE2-CE1 3.83Å; H115-H127 AromaticContact NE2-ND1 2.98Å; H115-H127 PolarHBondContact NE2-ND1 3.38Å |
| 116 | Y | 94 | Very high | 91.9 | Very high | 110 Ų | 110 | 63.7 Ų | 63.7 | 43% | 0.431 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 145.3 | 174.8 | -60.4 | -86.9 | 0 | 0 | 0 | 110 | V114 Q121 S122 | V114-Y116 HydrophobicContact CB-CD2 4.4Å; V114-Y116 HydrophobicContact CB-CE2 3.65Å; V114-Y116 HydrophobicContact CG1-CD2 4.31Å; V114-Y116 HydrophobicContact CG1-CE1 4.04Å; V114-Y116 HydrophobicContact CG1-CE2 3.81Å; V114-Y116 WeakPolarHBondContact O-CD2 3.36Å; Y116-Q121 CarbonylContact C-O 3.58Å; Y116-Q121 WeakPolarHBondContact CA-O 3.19Å; Y116-S122 VanDerWaalsContact CE1-OG 3.24Å; Y116-S122 WeakPolarHBondContact CE1-OG 2.92Å |
| 117 | D | 93.6 | Very high | 92.1 | Very high | 75 Ų | 75 | 63.9 Ų | 63.9 | 40% | 0.401 | 33% | 0.328 | S | S | . | . | trans | -73.3 | 166.8 | 169.5 | -176.2 | 34.5 | 0 | 0 | 0 | 110.8 | S119 G120 Q121 L123 | D117-S119 PolarHBondContact O-N 3.31Å; D117-S119 VanDerWaalsContact O-N 3.16Å; D117-S119 PolarHBondContact OD2-OG 3.5Å; D117-G120 PolarHBondContact O-N 3.48Å; D117-Q121 PolarHBondContact N-O 3.19Å; D117-L123 HydrophobicContact CB-CD2 3.91Å; D117-L123 HydrophobicContact CB-CG 4.23Å | ||
| 118 | R | 93.4 | Very high | 92.4 | Very high | 251 Ų | 251 | 63 Ų | 63 | 95% | 0.947 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.2 | 176.5 | -55.5 | 179.3 | -165.2 | -169.8 | 3.3 | 112.6 | G120 | R118-G120 PolarHBondContact O-N 3.3Š|
| 119 | S | 89.8 | Confident | 92.4 | Very high | 75 Ų | 75 | 61 Ų | 61 | 52% | 0.524 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -4.3 | 174.2 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | D117 Q121 | D117-S119 PolarHBondContact O-N 3.31Å; D117-S119 VanDerWaalsContact O-N 3.16Å; D117-S119 PolarHBondContact OD2-OG 3.5Å; S119-Q121 PolarHBondContact O-N 2.93Å; S119-Q121 WeakPolarHBondContact OG-CG 3.41Å |
| 120 | G | 88.8 | Confident | 92.5 | Very high | 51 Ų | 51 | 59 Ų | 59 | 53% | 0.526 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 80.1 | 1.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | D117 R118 | D117-G120 PolarHBondContact O-N 3.48Å; R118-G120 PolarHBondContact O-N 3.3Å |
| 121 | Q | 89.1 | Confident | 92.4 | Very high | 124 Ų | 124 | 59.7 Ų | 59.7 | 58% | 0.579 | 30% | 0.301 | S | S | * | . | trans | -79.1 | 138.2 | 176.3 | -62.6 | -62.1 | -42.3 | 0 | 0 | 110.7 | Y116 D117 S119 L123 | Y116-Q121 CarbonylContact C-O 3.58Å; Y116-Q121 WeakPolarHBondContact CA-O 3.19Å; D117-Q121 PolarHBondContact N-O 3.19Å; S119-Q121 PolarHBondContact O-N 2.93Å; S119-Q121 WeakPolarHBondContact OG-CG 3.41Å; Q121-L123 PolarHBondContact O-N 3.46Å | ||
| 122 | S | 91.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 132.4 | 174.1 | -55.7 | 0 | 0 | 0 | 0 | 110.1 | F92 Y116 G124 | F92-S122 WeakPolarHBondContact CD1-O 3.46Å; F92-S122 WeakPolarHBondContact CE1-O 3.43Å; F92-S122 WeakPolarHBondContact O-CB 3.14Å; F92-S122 PolarHBondContact O-OG 3.03Å; Y116-S122 VanDerWaalsContact CE1-OG 3.24Å; Y116-S122 WeakPolarHBondContact CE1-OG 2.92Å; S122-G124 PolarHBondContact O-N 3.3Å |
| 123 | L | 92.8 | Very high | 92.2 | Very high | 96 Ų | 96 | 65.6 Ų | 65.6 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -1.9 | 174.3 | -71.7 | 171.2 | 0 | 0 | 0 | 112.7 | H115 D117 Q121 T125 | H115-L123 HydrophobicContact CB-CB 4.34Å; H115-L123 HydrophobicContact CB-CD1 4.08Å; H115-L123 WeakPolarHBondContact O-CB 3.34Å; H115-L123 PolarHBondContact O-N 2.93Å; D117-L123 HydrophobicContact CB-CD2 3.91Å; D117-L123 HydrophobicContact CB-CG 4.23Å; Q121-L123 PolarHBondContact O-N 3.46Å; L123-T125 PolarHBondContact O-N 3.04Å |
| 124 | G | 91.7 | Very high | 92.1 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.1 | 20.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N89 L90 S122 | N89-G124 PolarHBondContact N-O 2.77Å; L90-G124 PolarHBondContact N-O 3.04Å; L90-G124 WeakPolarHBondContact O-CA 3.34Å; S122-G124 PolarHBondContact O-N 3.3Å |
| 125 | T | 94.5 | Very high | 92 | Very high | 43 Ų | 43 | 68.4 Ų | 68.4 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.2 | 176.6 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | L87 H115 L123 | L87-T125 CarbonylContact O-C 3.57Å; L87-T125 VanDerWaalsContact O-CA 3.23Å; L87-T125 WeakPolarHBondContact O-CA 3.27Å; H115-T125 WeakPolarHBondContact CB-O 3.28Å; H115-T125 WeakPolarHBondContact CB-OG1 3.35Å; H115-T125 PolarHBondContact N-O 3.34Å; L123-T125 PolarHBondContact O-N 3.04Å |
| 126 | A | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 159.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L87 L90 I99 A113 V114 | L87-A126 HydrophobicContact CB-CB 4.25Å; L87-A126 HydrophobicContact CD1-CB 4.19Å; L87-A126 PolarHBondContact N-O 2.94Å; L87-A126 PolarHBondContact O-N 2.9Å; L90-A126 HydrophobicContact CD1-CB 3.76Å; I99-A126 HydrophobicContact CD1-CB 3.27Å; A113-A126 CarbonylContact O-C 3.59Å; A113-A126 VanDerWaalsContact O-CA 3.3Å; A113-A126 WeakPolarHBondContact O-CA 3.47Å; A113-A126 WeakPolarHBondContact O-CB 3.37Å; V114-A126 HydrophobicContact CG2-CB 4.15Å |
| 127 | H | 93.7 | Very high | 91.8 | Very high | 30 Ų | 30 | 62.7 Ų | 62.7 | 14% | 0.139 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.9 | 169.6 | 60.7 | -104.2 | 0 | 0 | 0 | 111.6 | L85 S112 A113 H115 H129 | L85-H127 CarbonylContact O-C 3.58Å; L85-H127 VanDerWaalsContact O-CA 3.28Å; L85-H127 WeakPolarHBondContact O-CA 3.43Å; S112-H127 WeakPolarHBondContact CA-O 3.04Å; A113-H127 PolarHBondContact N-O 3.34Å; A113-H127 PolarHBondContact O-N 3.43Å; H115-H127 AromaticContact CE1-CE1 3.68Å; H115-H127 AromaticContact CE1-ND1 3.27Å; H115-H127 PolarHBondContact CE1-ND1 3.02Å; H115-H127 VanDerWaalsContact CE1-ND1 3.27Å; H115-H127 AromaticContact NE2-CE1 3.83Å; H115-H127 AromaticContact NE2-ND1 2.98Å; H115-H127 PolarHBondContact NE2-ND1 3.38Å; H127-H129 AromaticContact CD2-CD2 3.69Å; H127-H129 AromaticContact CD2-NE2 3.56Å |
| 128 | V | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.2 | 178 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | K84 L85 L87 I99 F103 L109 F130 | K84-V128 CarbonylContact C-O 3.55Å; K84-V128 WeakPolarHBondContact CA-O 3.27Å; L85-V128 HydrophobicContact CB-CB 4.5Å; L85-V128 PolarHBondContact N-O 3.49Å; L85-V128 PolarHBondContact O-N 2.98Å; L87-V128 HydrophobicContact CD1-CG2 3.79Å; I99-V128 HydrophobicContact CG2-CG2 3.52Å; F103-V128 HydrophobicContact CB-CG1 4.31Å; F103-V128 HydrophobicContact CD2-CG2 4.14Å; F103-V128 HydrophobicContact CG-CG1 4.46Å; F103-V128 HydrophobicContact CG-CG2 4.31Å; L109-V128 HydrophobicContact CD2-CG1 3.53Å; L109-V128 HydrophobicContact CG-CG1 4.04Å; V128-F130 HydrophobicContact CB-CE2 4.36Å; V128-F130 HydrophobicContact CG1-CD2 3.92Å; V128-F130 HydrophobicContact CG1-CE2 3.49Å; V128-F130 VanDerWaalsContact CG1-CE2 3.49Å; V128-F130 HydrophobicContact CG1-CZ 3.95Å |
| 129 | H | 92.2 | Very high | 91.7 | Very high | 30 Ų | 30 | 51.8 Ų | 51.8 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 112.1 | 178.8 | -71.1 | -146.8 | 0 | 0 | 0 | 108.1 | K84 R110 K111 H127 | K84-H129 VanDerWaalsContact CD-NE2 3.28Å; K84-H129 WeakPolarHBondContact CD-NE2 3.4Å; K84-H129 WeakPolarHBondContact CE-NE2 3.49Å; K84-H129 PolarHBondContact NZ-NE2 2.87Å; R110-H129 HydrophobicContact CB-CB 4.38Å; R110-H129 PolarHBondContact N-O 3.01Å; K111-H129 HydrophobicContact CB-CB 4.17Å; K111-H129 PolarHBondContact N-O 3.49Å; K111-H129 PolarHBondContact O-N 2.91Å; H127-H129 AromaticContact CD2-CD2 3.69Å; H127-H129 AromaticContact CD2-NE2 3.56Å |
| 130 | F | 92.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 151.9 | 172.9 | -74.1 | -84.8 | 0 | 0 | 0 | 111.6 | G82 G83 L85 F103 L109 V128 R132 D135 A136 A139 | G82-F130 WeakPolarHBondContact CA-O 3.36Å; G83-F130 PolarHBondContact N-O 3.35Å; G83-F130 PolarHBondContact O-N 2.76Å; L85-F130 HydrophobicContact CD1-CD2 4.17Å; L85-F130 HydrophobicContact CD1-CE2 3.61Å; L85-F130 HydrophobicContact CG-CD2 4.31Å; L85-F130 HydrophobicContact CG-CE2 4.2Å; F103-F130 HydrophobicContact CB-CZ 3.92Å; F103-F130 HydrophobicContact CD1-CE2 4.18Å; F103-F130 AromaticContact CD1-CZ 3.86Å; F103-F130 HydrophobicContact CD1-CZ 3.86Å; F103-F130 HydrophobicContact CG-CZ 4.32Å; L109-F130 HydrophobicContact CD1-CE1 4.23Å; L109-F130 HydrophobicContact CG-CE1 4.25Å; V128-F130 HydrophobicContact CB-CE2 4.36Å; V128-F130 HydrophobicContact CG1-CD2 3.92Å; V128-F130 HydrophobicContact CG1-CE2 3.49Å; V128-F130 VanDerWaalsContact CG1-CE2 3.49Å; V128-F130 HydrophobicContact CG1-CZ 3.95Å; F130-R132 VanDerWaalsContact C-N 3.34Å; F130-R132 WeakPolarHBondContact CB-O 3.4Å; F130-D135 HydrophobicContact CD1-CB 3.94Å; F130-D135 HydrophobicContact CE1-CB 4.42Å; F130-D135 HydrophobicContact CG-CB 4.44Å; F130-A136 HydrophobicContact CB-CB 4.14Å; F130-A136 HydrophobicContact CD2-CB 3.58Å; F130-A136 HydrophobicContact CE2-CB 4.31Å; F130-A136 HydrophobicContact CG-CB 4.06Å; F130-A139 HydrophobicContact CE2-CB 4.23Å; F130-A139 HydrophobicContact CZ-CB 4.03Å |
| 131 | E | 90.3 | Very high | 91.9 | Very high | 102 Ų | 102 | 56.6 Ų | 56.6 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -64.8 | -41.1 | 170.4 | -168.2 | -174.3 | 160.2 | 0 | 0 | 111.5 | T108 R110 | T108-E131 PolarHBondContact O-N 3.5Å; T108-E131 WeakPolarHBondContact OG1-CB 3.1Å; T108-E131 PolarHBondContact OG1-OE2 3.19Å; R110-E131 HydrophobicContact CG-CB 4.06Å |
| 132 | R | 89.5 | Confident | 92 | Very high | 159 Ų | 159 | 56.2 Ų | 56.2 | 60% | 0.6 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -112.9 | 139.7 | -179.5 | -58.7 | 178.8 | 178.8 | -172.1 | 1.2 | 111 | F130 A134 D135 A136 | F130-R132 VanDerWaalsContact C-N 3.34Å; F130-R132 WeakPolarHBondContact CB-O 3.4Å; R132-A134 VanDerWaalsContact C-N 3.27Å; R132-A134 PolarHBondContact O-N 2.74Å; R132-D135 PolarHBondContact O-N 2.94Å; R132-A136 PolarHBondContact O-N 3.3Å |
| 133 | K | 89.7 | Confident | 92 | Very high | 107 Ų | 107 | 57.2 Ų | 57.2 | 47% | 0.465 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.3 | -31.3 | 172.1 | -174.1 | 178.9 | 178.4 | -178.7 | 0 | 112.9 | A136 L137 | K133-A136 PolarHBondContact O-N 2.78Å; K133-L137 HydrophobicContact CG-CD1 4.38Å; K133-L137 WeakPolarHBondContact O-CG 3.23Å; K133-L137 PolarHBondContact O-N 3.26Å |
| 134 | A | 90.9 | Very high | 92 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R132 L137 K138 | R132-A134 VanDerWaalsContact C-N 3.27Å; R132-A134 PolarHBondContact O-N 2.74Å; A134-L137 PolarHBondContact O-N 3.36Å; A134-K138 PolarHBondContact O-N 2.93Å |
| 135 | D | 92 | Very high | 91.9 | Very high | 30 Ų | 30 | 58.5 Ų | 58.5 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.9 | -40.8 | -179.7 | -53.4 | -13.1 | 0 | 0 | 0 | 110.6 | F130 R132 L137 K138 A139 | F130-D135 HydrophobicContact CD1-CB 3.94Å; F130-D135 HydrophobicContact CE1-CB 4.42Å; F130-D135 HydrophobicContact CG-CB 4.44Å; R132-D135 PolarHBondContact O-N 2.94Å; D135-L137 VanDerWaalsContact C-N 3.35Å; D135-L137 PolarHBondContact O-N 3.08Å; D135-K138 WeakPolarHBondContact O-CB 3.47Å; D135-K138 PolarHBondContact O-N 2.72Å; D135-A139 PolarHBondContact O-N 3.26Å |
| 136 | A | 91.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L85 F130 R132 K133 K138 A139 M140 L157 | L85-A136 HydrophobicContact CD1-CB 4.24Å; L85-A136 WeakPolarHBondContact CD1-O 3.46Å; L85-A136 HydrophobicContact CD2-CB 3.95Å; L85-A136 HydrophobicContact CG-CB 3.97Å; F130-A136 HydrophobicContact CB-CB 4.14Å; F130-A136 HydrophobicContact CD2-CB 3.58Å; F130-A136 HydrophobicContact CE2-CB 4.31Å; F130-A136 HydrophobicContact CG-CB 4.06Å; R132-A136 PolarHBondContact O-N 3.3Å; K133-A136 PolarHBondContact O-N 2.78Å; A136-K138 VanDerWaalsContact C-N 3.34Å; A136-A139 PolarHBondContact O-N 3.21Å; A136-M140 WeakPolarHBondContact O-CB 3.28Å; A136-M140 PolarHBondContact O-N 3.35Å; A136-L157 HydrophobicContact CB-CD1 4.44Å |
| 137 | L | 91.4 | Very high | 91.4 | Very high | 58 Ų | 58 | 63.4 Ų | 63.4 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.4 | -32.2 | 176.5 | -74.5 | 171.8 | 0 | 0 | 0 | 112.7 | K133 A134 D135 M140 R141 L157 | K133-L137 HydrophobicContact CG-CD1 4.38Å; K133-L137 WeakPolarHBondContact O-CG 3.23Å; K133-L137 PolarHBondContact O-N 3.26Å; A134-L137 PolarHBondContact O-N 3.36Å; D135-L137 VanDerWaalsContact C-N 3.35Å; D135-L137 PolarHBondContact O-N 3.08Å; L137-M140 HydrophobicContact CD2-CE 3.92Å; L137-R141 WeakPolarHBondContact O-CG 3.28Å; L137-R141 PolarHBondContact O-N 2.84Å; L137-R141 PolarHBondContact O-NE 2.63Å; L137-R141 VanDerWaalsContact O-NE 3.14Å; L137-L157 HydrophobicContact CD2-CD2 3.93Å |
| 138 | K | 92.6 | Very high | 91.1 | Very high | 97 Ų | 97 | 64 Ų | 64 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66 | -52.9 | 172.6 | -169.9 | -173.5 | 176.5 | -156.4 | 0 | 109.8 | F106 A134 D135 A136 M140 R141 E142 | F106-K138 HydrophobicContact CD1-CD 4.05Å; F106-K138 HydrophobicContact CD1-CG 4.15Å; A134-K138 PolarHBondContact O-N 2.93Å; D135-K138 WeakPolarHBondContact O-CB 3.47Å; D135-K138 PolarHBondContact O-N 2.72Å; A136-K138 VanDerWaalsContact C-N 3.34Å; K138-M140 VanDerWaalsContact C-N 3.3Å; K138-M140 PolarHBondContact O-N 2.78Å; K138-R141 PolarHBondContact O-N 3.28Å; K138-E142 WeakPolarHBondContact O-CG 3.37Å; K138-E142 PolarHBondContact O-N 3.03Å; K138-E142 VanDerWaalsContact O-N 3.12Å |
| 139 | A | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.4 | -41.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | L85 F103 F106 F130 D135 A136 R141 Y143 | L85-A139 HydrophobicContact CD1-CB 3.98Å; F103-A139 HydrophobicContact CD1-CB 3.85Å; F103-A139 HydrophobicContact CE1-CB 3.97Å; F106-A139 HydrophobicContact CB-CB 4.22Å; F106-A139 HydrophobicContact CD2-CB 3.33Å; F106-A139 HydrophobicContact CE2-CB 3.6Å; F106-A139 HydrophobicContact CG-CB 3.85Å; F106-A139 HydrophobicContact CZ-CB 4.43Å; F130-A139 HydrophobicContact CE2-CB 4.23Å; F130-A139 HydrophobicContact CZ-CB 4.03Å; D135-A139 PolarHBondContact O-N 3.26Å; A136-A139 PolarHBondContact O-N 3.21Å; A139-R141 VanDerWaalsContact C-N 3.34Å; A139-R141 PolarHBondContact O-N 3.09Å; A139-Y143 PolarHBondContact O-N 3.43Å |
| 140 | M | 92.3 | Very high | 90.6 | Very high | 45 Ų | 45 | 71 Ų | 71 | 22% | 0.222 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.6 | -38 | 175.9 | -176.2 | -172.6 | 76.8 | 0 | 0 | 112.5 | L85 A136 L137 K138 N144 I155 L157 | L85-M140 HydrophobicContact CD2-CB 4.28Å; A136-M140 WeakPolarHBondContact O-CB 3.28Å; A136-M140 PolarHBondContact O-N 3.35Å; L137-M140 HydrophobicContact CD2-CE 3.92Å; K138-M140 VanDerWaalsContact C-N 3.3Å; K138-M140 PolarHBondContact O-N 2.78Å; M140-N144 WeakPolarHBondContact O-CB 3.13Å; M140-N144 PolarHBondContact O-N 3.43Å; M140-I155 HydrophobicContact CB-CG2 4Å; M140-I155 HydrophobicContact CG-CB 4.3Å; M140-I155 HydrophobicContact CG-CG2 3.98Å; M140-L157 HydrophobicContact SD-CB 3.84Å |
| 141 | R | 91.9 | Very high | 90.5 | Very high | 181 Ų | 181 | 74.3 Ų | 74.3 | 68% | 0.683 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -74 | -38.8 | -178.8 | -75.7 | -179.6 | -69.3 | 177.6 | 4.4 | 112.6 | L137 K138 A139 | L137-R141 WeakPolarHBondContact O-CG 3.28Å; L137-R141 PolarHBondContact O-N 2.84Å; L137-R141 PolarHBondContact O-NE 2.63Å; L137-R141 VanDerWaalsContact O-NE 3.14Å; K138-R141 PolarHBondContact O-N 3.28Å; A139-R141 VanDerWaalsContact C-N 3.34Å; A139-R141 PolarHBondContact O-N 3.09Å |
| 142 | E | 90.6 | Very high | 90.6 | Very high | 116 Ų | 116 | 72.8 Ų | 72.8 | 54% | 0.542 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -79.8 | -41.2 | -175.5 | -61.8 | -64.3 | 166.8 | 0 | 0 | 112.6 | F106 K138 V146 | F106-E142 HydrophobicContact CE1-CB 3.88Å; F106-E142 HydrophobicContact CE1-CG 3.94Å; F106-E142 HydrophobicContact CZ-CB 3.87Å; F106-E142 HydrophobicContact CZ-CG 4.44Å; K138-E142 WeakPolarHBondContact O-CG 3.37Å; K138-E142 PolarHBondContact O-N 3.03Å; K138-E142 VanDerWaalsContact O-N 3.12Å; E142-V146 WeakPolarHBondContact O-CG2 3.4Å |
| 143 | Y | 91.6 | Very high | 90.8 | Very high | 37 Ų | 37 | 65.4 Ų | 65.4 | 15% | 0.145 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -100.2 | -6.5 | -173.6 | -77.9 | -24.6 | 0 | 0 | 0 | 115.2 | L102 F103 E105 F106 A139 G145 V146 M153 | L102-Y143 HydrophobicContact CD1-CD2 4.45Å; L102-Y143 HydrophobicContact CD1-CE1 4.22Å; L102-Y143 HydrophobicContact CD1-CE2 3.56Å; L102-Y143 VanDerWaalsContact CD1-CZ 3.46Å; L102-Y143 WeakPolarHBondContact CD1-OH 3.46Å; L102-Y143 HydrophobicContact CD2-CD2 4.34Å; L102-Y143 HydrophobicContact CD2-CE2 4.18Å; L102-Y143 HydrophobicContact CG-CD2 4.11Å; L102-Y143 HydrophobicContact CG-CE2 3.49Å; L102-Y143 VanDerWaalsContact CG-CE2 3.49Å; F103-Y143 HydrophobicContact CD1-CD2 4.5Å; F103-Y143 HydrophobicContact CE1-CD2 4.04Å; F103-Y143 HydrophobicContact CZ-CD2 4.15Å; E105-Y143 PolarHBondContact OE2-OH 2.93Å; F106-Y143 HydrophobicContact CD2-CD2 4.41Å; F106-Y143 HydrophobicContact CD2-CE2 4.11Å; F106-Y143 AromaticContact CE2-CD2 3.18Å; F106-Y143 HydrophobicContact CE2-CD2 3.18Å; F106-Y143 AromaticContact CE2-CE2 2.97Å; F106-Y143 HydrophobicContact CE2-CE2 2.97Å; F106-Y143 HydrophobicContact CE2-CG 4.06Å; F106-Y143 AromaticContact CE2-CZ 3.75Å; F106-Y143 HydrophobicContact CZ-CD1 4.26Å; F106-Y143 AromaticContact CZ-CD2 3.49Å; F106-Y143 HydrophobicContact CZ-CD2 3.49Å; F106-Y143 VanDerWaalsContact CZ-CD2 3.49Å; F106-Y143 HydrophobicContact CZ-CE1 4.07Å; F106-Y143 AromaticContact CZ-CE2 3.22Å; F106-Y143 HydrophobicContact CZ-CE2 3.22Å; F106-Y143 AromaticContact CZ-CG 3.95Å; F106-Y143 HydrophobicContact CZ-CG 3.95Å; F106-Y143 AromaticContact CZ-CZ 3.51Å; A139-Y143 PolarHBondContact O-N 3.43Å; Y143-G145 PolarHBondContact O-N 3.49Å; Y143-V146 HydrophobicContact CD1-CB 4.39Å; Y143-V146 HydrophobicContact CD1-CG1 4.48Å; Y143-V146 HydrophobicContact CD1-CG2 4.26Å; Y143-V146 PolarHBondContact O-N 3.2Å; Y143-M153 HydrophobicContact CD2-CE 4.36Å; Y143-M153 HydrophobicContact CG-CE 4.07Å |
| 144 | N | 92.3 | Very high | 91 | Very high | 80 Ų | 80 | 63.1 Ų | 63.1 | 43% | 0.428 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 117.5 | 173.6 | -173.5 | 40.7 | 0 | 0 | 0 | 110.3 | M140 N154 I155 | M140-N144 WeakPolarHBondContact O-CB 3.13Å; M140-N144 PolarHBondContact O-N 3.43Å; N144-N154 PolarHBondContact OD1-OD1 3.13Å; N144-I155 HydrophobicContact CB-CB 4.24Å; N144-I155 HydrophobicContact CB-CG1 4.45Å; N144-I155 PolarHBondContact OD1-N 2.64Å; N144-I155 VanDerWaalsContact OD1-N 3.09Å |
| 145 | G | 89.6 | Confident | 91.2 | Very high | 46 Ų | 46 | 60.1 Ų | 60.1 | 47% | 0.474 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -6.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y143 M153 | Y143-G145 PolarHBondContact O-N 3.49Å; G145-M153 WeakPolarHBondContact CA-O 3.31Å; G145-M153 PolarHBondContact N-O 2.79Å |
| 146 | V | 90.1 | Very high | 91.2 | Very high | 56 Ų | 56 | 63.5 Ų | 63.5 | 34% | 0.339 | 34% | 0.344 | S | S | . | . | trans | -71.9 | 130.5 | 179.7 | 175.1 | 0 | 0 | 0 | 0 | 110 | E142 Y143 L148 M153 | E142-V146 WeakPolarHBondContact O-CG2 3.4Å; Y143-V146 HydrophobicContact CD1-CB 4.39Å; Y143-V146 HydrophobicContact CD1-CG1 4.48Å; Y143-V146 HydrophobicContact CD1-CG2 4.26Å; Y143-V146 PolarHBondContact O-N 3.2Å; V146-L148 PolarHBondContact O-N 3.29Å; V146-M153 PolarHBondContact O-N 3.42Å | ||
| 147 | P | 89 | Confident | 91.2 | Very high | 91 Ų | 91 | 65.6 Ų | 65.6 | 59% | 0.591 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 122 | 175.7 | 28.2 | -33.1 | 0 | 0 | 0 | 110.8 | R151 | P147-R151 CarbonylContact C-O 3.6Å; P147-R151 WeakPolarHBondContact CA-O 3.46Å |
| 148 | L | 86.9 | Confident | 91 | Very high | 43 Ų | 43 | 65.7 Ų | 65.7 | 23% | 0.225 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.5 | 170.1 | -173 | 68 | 0 | 0 | 0 | 107.9 | L90 V94 L102 V146 G150 R151 | L90-L148 HydrophobicContact CD2-CD2 4.48Å; V94-L148 HydrophobicContact CG2-CD2 3.91Å; V94-L148 HydrophobicContact CG2-CG 4.46Å; L102-L148 HydrophobicContact CD2-CD1 4.5Å; L102-L148 HydrophobicContact CD2-CD2 4.2Å; V146-L148 PolarHBondContact O-N 3.29Å; L148-G150 PolarHBondContact O-N 2.74Å; L148-G150 VanDerWaalsContact O-N 3.15Å; L148-R151 PolarHBondContact N-O 2.84Å; L148-R151 PolarHBondContact O-N 2.79Å |
| 149 | D | 87.5 | Confident | 90 | Very high | 104 Ų | 104 | 64.3 Ų | 64.3 | 56% | 0.556 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 35.8 | -174.1 | -59.7 | -20.9 | 0 | 0 | 0 | 113.9 | H91 | H91-D149 HydrophobicContact CB-CB 3.68Å; H91-D149 IonicContact CG-OD2 3.76Å; H91-D149 IonicContact ND1-OD2 3.27Å; H91-D149 PolarHBondContact ND1-OD2 3.35Å |
| 150 | G | 88.1 | Confident | 88.5 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 74% | 0.742 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 4.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L148 | L148-G150 PolarHBondContact O-N 2.74Å; L148-G150 VanDerWaalsContact O-N 3.15Å |
| 151 | R | 91.2 | Very high | 86.7 | Confident | 70 Ų | 70 | 71.4 Ų | 71.4 | 26% | 0.264 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.5 | 174.6 | -65.8 | 178.5 | 67.6 | 177.4 | 1 | 111.2 | N89 L90 P147 L148 M153 | N89-R151 PolarHBondContact OD1-NE 3.46Å; N89-R151 PolarHBondContact OD1-NH2 2.88Å; L90-R151 PolarHBondContact O-NH1 3.02Å; P147-R151 CarbonylContact C-O 3.6Å; P147-R151 WeakPolarHBondContact CA-O 3.46Å; L148-R151 PolarHBondContact N-O 2.84Å; L148-R151 PolarHBondContact O-N 2.79Å; R151-M153 PolarHBondContact O-N 2.91Å |
| 152 | P | 92.3 | Very high | 84.6 | Confident | 71 Ų | 71 | 69 Ų | 69 | 46% | 0.461 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 120.5 | 178.4 | 27.4 | -32.8 | 0 | 0 | 0 | 110.5 | N89 | N89-P152 PolarHBondContact ND2-O 2.77Å |
| 153 | M | 93.4 | Very high | 82.5 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.015 | 41% | 0.405 | C | S | . | . | trans | -74.6 | 134.9 | 177.6 | 173.7 | 171.2 | 37.9 | 0 | 0 | 110.6 | L87 L90 L102 F103 Y143 G145 V146 R151 I155 | L87-M153 HydrophobicContact CD2-SD 4.04Å; L90-M153 HydrophobicContact CD2-CB 4.16Å; L90-M153 HydrophobicContact CD2-CG 3.63Å; L90-M153 HydrophobicContact CD2-SD 3.58Å; L90-M153 VanDerWaalsContact CD2-SD 3.58Å; L102-M153 HydrophobicContact CD2-CE 4.03Å; F103-M153 HydrophobicContact CE2-SD 4.2Å; F103-M153 HydrophobicContact CZ-CE 4.43Å; F103-M153 HydrophobicContact CZ-SD 3.96Å; Y143-M153 HydrophobicContact CD2-CE 4.36Å; Y143-M153 HydrophobicContact CG-CE 4.07Å; G145-M153 WeakPolarHBondContact CA-O 3.31Å; G145-M153 PolarHBondContact N-O 2.79Å; V146-M153 PolarHBondContact O-N 3.42Å; R151-M153 PolarHBondContact O-N 2.91Å; M153-I155 HydrophobicContact CE-CD1 4.24Å; M153-I155 HydrophobicContact CG-CD1 4.25Å; M153-I155 HydrophobicContact CG-CG1 3.86Å; M153-I155 HydrophobicContact SD-CD1 4.02Å; M153-I155 HydrophobicContact SD-CG1 4.21Å | ||
| 154 | N | 94.3 | Very high | 80.4 | Confident | 59 Ų | 59 | 72 Ų | 72 | 32% | 0.316 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.6 | 176.1 | 173.7 | 27.2 | 0 | 0 | 0 | 110.2 | L87 S88 N144 | L87-N154 CarbonylContact C-O 3.55Å; L87-N154 WeakPolarHBondContact CA-O 3.46Å; S88-N154 PolarHBondContact N-O 3.12Å; S88-N154 PolarHBondContact O-N 2.69Å; S88-N154 VanDerWaalsContact OG-CB 3.31Å; S88-N154 WeakPolarHBondContact OG-CB 3.4Å; S88-N154 PolarHBondContact OG-ND2 3.18Å; S88-N154 VanDerWaalsContact OG-ND2 3.08Å; S88-N154 PolarHBondContact OG-O 3.4Å; N144-N154 PolarHBondContact OD1-OD1 3.13Å |
| 155 | I | 94.1 | Very high | 78.3 | Confident | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.021 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.1 | -172.8 | -50 | -169.9 | 0 | 0 | 0 | 109.9 | L85 L87 F103 M140 N144 M153 | L85-I155 HydrophobicContact CB-CG2 4.16Å; L85-I155 HydrophobicContact CD1-CG2 3.85Å; L85-I155 HydrophobicContact CD2-CG2 4.2Å; L85-I155 HydrophobicContact CG-CG2 4.3Å; L87-I155 HydrophobicContact CD2-CB 4.04Å; L87-I155 HydrophobicContact CD2-CD1 3.72Å; L87-I155 HydrophobicContact CD2-CG1 3.5Å; L87-I155 VanDerWaalsContact CD2-CG1 3.5Å; L87-I155 HydrophobicContact CD2-CG2 3.76Å; F103-I155 HydrophobicContact CE1-CD1 3.91Å; F103-I155 HydrophobicContact CZ-CD1 3.74Å; M140-I155 HydrophobicContact CB-CG2 4Å; M140-I155 HydrophobicContact CG-CB 4.3Å; M140-I155 HydrophobicContact CG-CG2 3.98Å; N144-I155 HydrophobicContact CB-CB 4.24Å; N144-I155 HydrophobicContact CB-CG1 4.45Å; N144-I155 PolarHBondContact OD1-N 2.64Å; N144-I155 VanDerWaalsContact OD1-N 3.09Å; M153-I155 HydrophobicContact CE-CD1 4.24Å; M153-I155 HydrophobicContact CG-CD1 4.25Å; M153-I155 HydrophobicContact CG-CG1 3.86Å; M153-I155 HydrophobicContact SD-CD1 4.02Å; M153-I155 HydrophobicContact SD-CG1 4.21Å |
| 156 | Q | 92.7 | Very high | 76.2 | Confident | 100 Ų | 100 | 80.2 Ų | 80.2 | 47% | 0.467 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.6 | 178.3 | -65.6 | -177.9 | -5.5 | 0 | 0 | 110.9 | L85 L86 V158 | L85-Q156 CarbonylContact C-O 3.6Å; L85-Q156 WeakPolarHBondContact CA-O 3.23Å; L86-Q156 PolarHBondContact N-O 3.04Å; L86-Q156 PolarHBondContact O-N 3.41Å; Q156-V158 PolarHBondContact O-N 2.79Å |
| 157 | L | 90.7 | Very high | 74.5 | Confident | 45 Ų | 45 | 87 Ų | 87 | 24% | 0.236 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 116.1 | 170.5 | -178.3 | 71 | 0 | 0 | 0 | 109.6 | L85 A136 L137 M140 T159 | L85-L157 HydrophobicContact CD2-CB 4.25Å; L85-L157 HydrophobicContact CD2-CD1 3.79Å; A136-L157 HydrophobicContact CB-CD1 4.44Å; L137-L157 HydrophobicContact CD2-CD2 3.93Å; M140-L157 HydrophobicContact SD-CB 3.84Å; L157-T159 HydrophobicContact CD2-CG2 3.85Å; L157-T159 HydrophobicContact CG-CG2 4.07Å; L157-T159 PolarHBondContact O-N 3.15Å; L157-T159 VanDerWaalsContact O-N 3.12Å |
| 158 | V | 87.9 | Confident | 72.7 | Confident | 59 Ų | 59 | 87.7 Ų | 87.7 | 36% | 0.358 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 86.4 | 172 | -173.8 | 0 | 0 | 0 | 0 | 107.9 | K84 L86 Q156 | K84-V158 HydrophobicContact CB-CB 4.15Å; K84-V158 HydrophobicContact CD-CB 4.11Å; K84-V158 HydrophobicContact CD-CG1 4.17Å; K84-V158 HydrophobicContact CG-CB 3.94Å; K84-V158 HydrophobicContact CG-CG2 4.3Å; K84-V158 PolarHBondContact O-N 3.28Å; L86-V158 HydrophobicContact CB-CG2 3.55Å; Q156-V158 PolarHBondContact O-N 2.79Å |
| 159 | T | 72.1 | Confident | 71.1 | Confident | 69 Ų | 69 | 90.2 Ų | 90.2 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | trans | -74.5 | 136.9 | 157.2 | 57.6 | 0 | 0 | 0 | 0 | 107.1 | L157 T161 | L157-T159 HydrophobicContact CD2-CG2 3.85Å; L157-T159 HydrophobicContact CG-CG2 4.07Å; L157-T159 PolarHBondContact O-N 3.15Å; L157-T159 VanDerWaalsContact O-N 3.12Å; T159-T161 PolarHBondContact O-N 2.99Å | ||
| 160 | S | 59.7 | Low | 69.5 | Low | 82 Ų | 82 | 92.1 Ų | 92.1 | 57% | 0.573 | 52% | 0.515 | S | S | * | . | trans | -58.4 | 92.2 | 166 | 55.2 | 0 | 0 | 0 | 0 | 107.7 | I162 | S160-I162 PolarHBondContact O-N 2.75Š| ||
| 161 | T | 53.7 | Low | 67.7 | Low | 111 Ų | 111 | 92.9 Ų | 92.9 | 68% | 0.681 | 51% | 0.509 | S | S | * | . | trans | -71.4 | 66.8 | 163.1 | 56.4 | 0 | 0 | 0 | 0 | 105.9 | T159 D163 | T159-T161 PolarHBondContact O-N 2.99Å; T161-D163 PolarHBondContact O-N 3.1Å | ||
| 162 | I | 48.7 | Very low | 65.9 | Low | 132 Ų | 132 | 98.5 Ų | 98.5 | 68% | 0.677 | 53% | 0.53 | S | S | * | . | trans | -57.2 | 102.5 | 131.5 | -59.6 | 175.3 | 0 | 0 | 0 | 101.4 | S160 T164 | S160-I162 PolarHBondContact O-N 2.75Å; I162-T164 HydrophobicContact CG2-CG2 4.22Å; I162-T164 PolarHBondContact O-N 3.26Å | ||
| 163 | D | 46.9 | Very low | 64 | Low | 96 Ų | 96 | 102.1 Ų | 102.1 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | trans | -47.2 | 86.7 | 158.5 | -90.3 | -34.4 | 0 | 0 | 0 | 106.2 | T161 R165 | T161-D163 PolarHBondContact O-N 3.1Å; D163-R165 HydrophobicContact CB-CG 4.29Å; D163-R165 PolarHBondContact O-N 3.22Å; D163-R165 IonicContact OD1-NE 3.82Å; D163-R165 IonicContact OD2-CZ 3.43Å; D163-R165 IonicContact OD2-NE 3.26Å; D163-R165 PolarHBondContact OD2-NE 2.95Å; D163-R165 IonicContact OD2-NH2 2.74Å; D163-R165 PolarHBondContact OD2-NH2 3.42Å | ||
| 164 | T | 47.5 | Very low | 61.8 | Low | 120 Ų | 120 | 110.9 Ų | 110.9 | 74% | 0.736 | 58% | 0.579 | S | S | * | * | trans | -75.7 | 50 | 151.3 | 62.1 | 0 | 0 | 0 | 0 | 106.4 | I162 P166 | I162-T164 HydrophobicContact CG2-CG2 4.22Å; I162-T164 PolarHBondContact O-N 3.26Å; T164-P166 WeakPolarHBondContact O-CD 3.4Å; T164-P166 VanDerWaalsContact O-N 3.13Å | ||
| 165 | R | 48.1 | Very low | 59.1 | Low | 183 Ų | 183 | 111.1 Ų | 111.1 | 69% | 0.691 | 60% | 0.595 | S | S | * | * | trans | -50.1 | 118.3 | 136.4 | -71.6 | -174.1 | -114.9 | -155.3 | -1.3 | 102.7 | D163 R167 | D163-R165 HydrophobicContact CB-CG 4.29Å; D163-R165 PolarHBondContact O-N 3.22Å; D163-R165 IonicContact OD1-NE 3.82Å; D163-R165 IonicContact OD2-CZ 3.43Å; D163-R165 IonicContact OD2-NE 3.26Å; D163-R165 PolarHBondContact OD2-NE 2.95Å; D163-R165 IonicContact OD2-NH2 2.74Å; D163-R165 PolarHBondContact OD2-NH2 3.42Å; R165-R167 VanDerWaalsContact C-N 3.26Å; R165-R167 PolarHBondContact O-N 3.49Å | ||
| 166 | P | 46.1 | Very low | 56.5 | Low | 115 Ų | 115 | 114 Ų | 114 | 75% | 0.747 | 63% | 0.626 | S | S | * | * | trans | -55.9 | 108.3 | 174.4 | -10.9 | 22.6 | 0 | 0 | 0 | 103.2 | T164 P168 | T164-P166 WeakPolarHBondContact O-CD 3.4Å; T164-P166 VanDerWaalsContact O-N 3.13Å; P166-P168 VanDerWaalsContact C-N 3.28Å; P166-P168 WeakPolarHBondContact O-CD 3.3Å | ||
| 167 | R | 53.2 | Low | 54.4 | Low | 197 Ų | 197 | 118.2 Ų | 118.2 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | trans | -54 | 110.9 | 163 | -153.8 | -178.4 | -151.3 | -127.8 | 8 | 100.7 | R165 A169 | R165-R167 VanDerWaalsContact C-N 3.26Å; R165-R167 PolarHBondContact O-N 3.49Å; R167-A169 WeakPolarHBondContact O-CA 3.13Å; R167-A169 PolarHBondContact O-N 3.2Å | ||
| 168 | P | 52 | Low | 52.6 | Low | 107 Ų | 107 | 121.7 Ų | 121.7 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | trans | -52.5 | 116.4 | -177 | 19.9 | -30 | 0 | 0 | 0 | 103 | P166 Q170 | P166-P168 VanDerWaalsContact C-N 3.28Å; P166-P168 WeakPolarHBondContact O-CD 3.3Å; P168-Q170 VanDerWaalsContact C-N 3.29Å; P168-Q170 PolarHBondContact O-N 2.94Å | ||
| 169 | A | 53.5 | Low | 50.7 | Low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -47.6 | 106.5 | -168 | 0 | 0 | 0 | 0 | 0 | 104.7 | R167 S171 | R167-A169 WeakPolarHBondContact O-CA 3.13Å; R167-A169 PolarHBondContact O-N 3.2Å; A169-S171 PolarHBondContact O-N 2.82Å | ||
| 170 | Q | 54.2 | Low | 49.4 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | trans | -62.3 | 102.6 | -179.4 | -94.3 | -176.4 | -63.2 | 0 | 0 | 100.9 | P168 R172 | P168-Q170 VanDerWaalsContact C-N 3.29Å; P168-Q170 PolarHBondContact O-N 2.94Å; Q170-R172 PolarHBondContact O-N 3.19Å | ||
| 171 | S | 50.3 | Low | 48.5 | Very low | 88 Ų | 88 | 135.5 Ų | 135.5 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | trans | -53.1 | 100.5 | -180 | 178.3 | 0 | 0 | 0 | 0 | 103.5 | A169 N173 | A169-S171 PolarHBondContact O-N 2.82Å; S171-N173 PolarHBondContact O-N 3.08Å; S171-N173 PolarHBondContact OG-OD1 3.31Å | ||
| 172 | R | 53.3 | Low | 47.7 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 71% | 0.709 | 72% | 0.718 | S | S | * | * | trans | -74.9 | 67.9 | 168.3 | -84.8 | -176.3 | 159.7 | 180 | -2.4 | 104.1 | Q170 R174 | Q170-R172 PolarHBondContact O-N 3.19Å; R172-R174 HydrophobicContact CB-CB 4.34Å; R172-R174 PolarHBondContact O-N 2.87Å | ||
| 173 | N | 52.5 | Low | 47.8 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | trans | -60 | 58.5 | 134.3 | -69.8 | 15.7 | 0 | 0 | 0 | 107.3 | S171 G175 | S171-N173 PolarHBondContact O-N 3.08Å; S171-N173 PolarHBondContact OG-OD1 3.31Å; N173-G175 VanDerWaalsContact C-N 3.28Å; N173-G175 PolarHBondContact O-N 3Å | ||
| 174 | R | 47.3 | Very low | 47.5 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | -87.5 | 83.7 | 154.1 | -179 | -178.3 | -70.6 | -168.5 | -6.8 | 101.4 | R172 | R172-R174 HydrophobicContact CB-CB 4.34Å; R172-R174 PolarHBondContact O-N 2.87Å | ||
| 175 | G | 36.7 | Very low | 47.1 | Very low | 64 Ų | 64 | 129.3 Ų | 129.3 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | 80.1 | 102.1 | 62.3 | 0 | 0 | 0 | 0 | 0 | 106 | N173 | N173-G175 VanDerWaalsContact C-N 3.28Å; N173-G175 PolarHBondContact O-N 3Å | |||
| 176 | G | 38.7 | Very low | 46.9 | Very low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | trans | 76.4 | 86 | 151.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 177 | M | 50.1 | Low | 46.5 | Very low | 187 Ų | 187 | 130.1 Ų | 130.1 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | trans | -145.4 | 98.2 | 131 | -104.9 | 125.8 | 166.5 | 0 | 0 | 108.5 | R179 | M177-R179 PolarHBondContact O-N 2.78Š| ||
| 178 | P | 51.9 | Low | 45.9 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -66.7 | 127.7 | 170.1 | 29.1 | -29.3 | 0 | 0 | 0 | 107.3 | N180 | P178-N180 PolarHBondContact O-N 2.93Š| ||
| 179 | R | 48.9 | Very low | 45.2 | Very low | 236 Ų | 236 | 123.7 Ų | 123.7 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | trans | -60.3 | 111.4 | 169.5 | -70.4 | -179.7 | 175.1 | 174.5 | -2 | 106.7 | M177 P181 | M177-R179 PolarHBondContact O-N 2.78Å; R179-P181 WeakPolarHBondContact O-CD 3.48Å; R179-P181 VanDerWaalsContact O-N 3.09Å | ||
| 180 | N | 44.8 | Very low | 44.6 | Very low | 143 Ų | 143 | 122 Ų | 122 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | -48.7 | 111.4 | 177.1 | -171.4 | 29.1 | 0 | 0 | 0 | 109.8 | P178 | P178-N180 PolarHBondContact O-N 2.93Š| ||
| 181 | P | 41 | Very low | 44.1 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | -97.8 | 93 | 172.5 | 26.9 | -10.3 | 0 | 0 | 0 | 107.2 | R179 | R179-P181 WeakPolarHBondContact O-CD 3.48Å; R179-P181 VanDerWaalsContact O-N 3.09Å | ||
| 182 | G | 35.5 | Very low | 43.8 | Very low | 52 Ų | 52 | 127.7 Ų | 127.7 | 54% | 0.536 | 78% | 0.781 | S | S | . | * | trans | 176.1 | 137.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 183 | S | 50.4 | Low | 43.1 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | 81.7 | 93.4 | -179.1 | -147.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 184 | G | 41.8 | Very low | 42.8 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | 94.2 | 123.9 | 60.1 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 185 | G | 39.1 | Very low | 42.7 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | cis | 153 | 105.1 | 8.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 186 | Y | 44.3 | Very low | 43.1 | Very low | 230 Ų | 230 | 129 Ų | 129 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -179.2 | 119.7 | 158.4 | 49.2 | -93.8 | 0 | 0 | 0 | 106.3 | ||||
| 187 | G | 37.1 | Very low | 43.2 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | cis | 112.2 | 97.9 | 22.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 188 | G | 39.9 | Very low | 42.7 | Very low | 81 Ų | 81 | 131.1 Ų | 131.1 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 166.7 | 81.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 189 | G | 37.7 | Very low | 42.7 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | 67.9 | 134.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 190 | G | 41.7 | Very low | 42.3 | Very low | 61 Ų | 61 | 127 Ų | 127 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | 162.7 | 148.3 | 4.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 191 | T | 42.6 | Very low | 42.4 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | 71 | 131.3 | 161 | 72.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 192 | R | 45.2 | Very low | 42.4 | Very low | 222 Ų | 222 | 130 Ų | 130 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | cis | -155.7 | 138.8 | 15.8 | -94.2 | 143.8 | -170.1 | 179.1 | 5.1 | 107 | ||||
| 193 | R | 38.5 | Very low | 42.6 | Very low | 219 Ų | 219 | 131.6 Ų | 131.6 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | 64.9 | 120.3 | 92.3 | -131.4 | -163 | -168.4 | -178.5 | 3.9 | 110.6 | |||||
| 194 | E | 46.1 | Very low | 42.5 | Very low | 143 Ų | 143 | 129 Ų | 129 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | -167.8 | 136.9 | 60.8 | -86.8 | 174.6 | 152.1 | 0 | 0 | 113.3 | |||||
| 195 | T | 45.4 | Very low | 42.3 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | 75.2 | 109.1 | 135.1 | 62.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 196 | L | 44.6 | Very low | 42.8 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | 77.1 | 124 | 92.3 | -73 | 163 | 0 | 0 | 0 | 110.1 | |||||
| 197 | E | 40.3 | Very low | 42.9 | Very low | 154 Ų | 154 | 133 Ų | 133 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | cis | -169.8 | 152.6 | 42.2 | -106.4 | 146.6 | 154 | 0 | 0 | 109.9 | ||||
| 198 | D | 40.8 | Very low | 43.4 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | 36.8 | 147.6 | 137.8 | -81.4 | -60.8 | 0 | 0 | 0 | 121.6 | ||||
| 199 | S | 52.1 | Low | 43.9 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 55% | 0.545 | 79% | 0.785 | S | S | . | * | cis | -177.8 | 151 | -9.3 | -120 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 200 | Q | 39.4 | Very low | 44.3 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | 49.4 | 117.7 | 140.6 | -61.8 | 175.6 | -1.8 | 0 | 0 | 120.6 | ||||
| 201 | G | 46.1 | Very low | 44.7 | Very low | 76 Ų | 76 | 150.1 Ų | 150.1 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 175.4 | 75.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 202 | R | 42.6 | Very low | 45 | Very low | 253 Ų | 253 | 154.1 Ų | 154.1 | 96% | 0.955 | 80% | 0.801 | S | S | * | * | 49.4 | 114.1 | 94.4 | -84.3 | -168.3 | 173.7 | -176 | 0.8 | 115.4 | |||||
| 203 | G | 38.3 | Very low | 45 | Very low | 85 Ų | 85 | 152.1 Ų | 152.1 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | 105.5 | 121.9 | 134.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 204 | G | 48.5 | Very low | 45.5 | Very low | 77 Ų | 77 | 150.8 Ų | 150.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 170.6 | 42 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | S206 | G204-S206 PolarHBondContact O-N 2.98Š| ||
| 205 | T | 39.1 | Very low | 46 | Very low | 121 Ų | 121 | 153.3 Ų | 153.3 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | -70.4 | 108.7 | 172.5 | -53.5 | 0 | 0 | 0 | 0 | 109.6 | R207 | T205-R207 HydrophobicContact CG2-CG 4.1Š| ||
| 206 | S | 48.2 | Very low | 46.4 | Very low | 122 Ų | 122 | 157.3 Ų | 157.3 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -109.7 | 103.9 | 167.8 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | G204 | G204-S206 PolarHBondContact O-N 2.98Š| ||
| 207 | R | 47.1 | Very low | 46.8 | Very low | 217 Ų | 217 | 159.6 Ų | 159.6 | 82% | 0.819 | 83% | 0.834 | S | S | * | * | trans | -93.6 | 114.6 | 166.3 | -54.9 | 172.3 | -158.1 | 156.8 | 4.3 | 106.7 | T205 | T205-R207 HydrophobicContact CG2-CG 4.1Š| ||
| 208 | N | 46.6 | Very low | 47.3 | Very low | 150 Ų | 150 | 161 Ų | 161 | 80% | 0.802 | 84% | 0.841 | S | S | * | * | trans | 174.3 | 108.4 | 140.3 | -115.6 | -15.6 | 0 | 0 | 0 | 111.6 | ||||
| 209 | S | 51.5 | Low | 47.8 | Very low | 125 Ų | 125 | 163 Ų | 163 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | trans | -152.9 | 55.1 | 158.3 | 51 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 210 | K | 46.7 | Very low | 48 | Very low | 195 Ų | 195 | 168 Ų | 168 | 85% | 0.848 | 86% | 0.86 | S | S | * | * | trans | -120.4 | 84.3 | 164.4 | -91.3 | -174.8 | 176 | 177.4 | 0 | 108.2 | ||||
| 211 | K | 50 | Low | 48.5 | Very low | 203 Ų | 203 | 168.2 Ų | 168.2 | 88% | 0.883 | 86% | 0.861 | S | S | * | * | trans | 172.7 | 91.4 | 162.5 | -103.8 | 172.3 | 179.9 | -174.4 | 0 | 108.6 | ||||
| 212 | K | 48 | Very low | 49.1 | Very low | 214 Ų | 214 | 169.5 Ų | 169.5 | 93% | 0.93 | 85% | 0.849 | S | S | * | * | trans | 167.6 | 63.3 | 152.9 | -98.4 | 177.9 | 172.5 | -175.1 | 0 | 110.2 | ||||
| 213 | Q | 45.3 | Very low | 50.2 | Low | 180 Ų | 180 | 160 Ų | 160 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | -125.2 | 145.7 | 150.2 | -73.3 | 179.1 | 5.3 | 0 | 0 | 104.1 | ||||
| 214 | Q | 49.6 | Very low | 51.8 | Low | 191 Ų | 191 | 159.4 Ų | 159.4 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 93.1 | 92.7 | -170.8 | -52.8 | 169.4 | 28.2 | 0 | 0 | 113 | ||
| 215 | Q | 56.1 | Low | 53.2 | Low | 195 Ų | 195 | 163.2 Ų | 163.2 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | 175.4 | -1.2 | 144.8 | -98.6 | 171 | 28.5 | 0 | 0 | 115.5 | ||||
| 216 | Q | 54 | Low | 55 | Low | 194 Ų | 194 | 162.1 Ų | 162.1 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -105.7 | 68.1 | -176.7 | -67.2 | -179.7 | 8.4 | 0 | 0 | 113.2 | ||||
| 217 | Q | 51.9 | Low | 56 | Low | 189 Ų | 189 | 160.6 Ų | 160.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -151.9 | 45.9 | 167.6 | -65.2 | -169.1 | 17.3 | 0 | 0 | 112.2 | ||
| 218 | Q | 52.3 | Low | 57.5 | Low | 185 Ų | 185 | 155 Ų | 155 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -153.8 | 51.6 | 175.1 | -65.2 | -169 | 29.4 | 0 | 0 | 114.3 | ||||
| 219 | Q | 50 | Low | 59.2 | Low | 184 Ų | 184 | 150.4 Ų | 150.4 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -149.3 | 83.4 | 163 | -63.2 | -174.2 | 8 | 0 | 0 | 106.1 | ||||
| 220 | Q | 56.3 | Low | 60.5 | Low | 184 Ų | 184 | 150.1 Ų | 150.1 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | 40.1 | 115.5 | 94.5 | -65.3 | -168.9 | 20.2 | 0 | 0 | 112.4 | L222 | Q220-L222 PolarHBondContact O-N 3.27Š| |||
| 221 | Q | 50 | Low | 62 | Low | 193 Ų | 193 | 145.6 Ų | 145.6 | 90% | 0.902 | 71% | 0.712 | S | S | * | * | trans | -69.3 | 103.6 | -163 | -56.8 | -180 | -3.6 | 0 | 0 | 110.1 | ||||
| 222 | L | 58.7 | Low | 63.5 | Low | 103 Ų | 103 | 140.4 Ų | 140.4 | 54% | 0.539 | 69% | 0.694 | S | S | . | * | trans | -74.2 | 114.9 | 147.7 | -80.9 | 122.4 | 0 | 0 | 0 | 105.6 | Q220 | Q220-L222 PolarHBondContact O-N 3.27Š| ||
| 223 | S | 66.1 | Low | 65.1 | Low | 54 Ų | 54 | 134.3 Ų | 134.3 | 38% | 0.378 | 68% | 0.675 | S | S | . | * | trans | -62.5 | 147.9 | 179.8 | 65 | 0 | 0 | 0 | 0 | 109.3 | E225 E226 L227 | S223-E225 PolarHBondContact O-N 3.27Å; S223-E226 PolarHBondContact N-OE2 2.71Å; S223-E226 PolarHBondContact O-N 2.99Å; S223-E226 WeakPolarHBondContact OG-CG 3.09Å; S223-L227 PolarHBondContact O-N 2.66Å | ||
| 224 | A | 73 | Confident | 66.6 | Low | 71 Ų | 71 | 132.2 Ų | 132.2 | 59% | 0.587 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -54.4 | -29.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L227 D228 | A224-L227 PolarHBondContact O-N 2.79Å; A224-D228 PolarHBondContact O-N 2.67Å |
| 225 | E | 77.8 | Confident | 67.9 | Low | 158 Ų | 158 | 131.2 Ų | 131.2 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.5 | -36.3 | 177.6 | -166.1 | 169 | -174.4 | 0 | 0 | 113 | S223 L227 D228 A229 | S223-E225 PolarHBondContact O-N 3.27Å; E225-L227 VanDerWaalsContact C-N 3.34Å; E225-D228 PolarHBondContact O-N 2.74Å; E225-A229 WeakPolarHBondContact O-CB 3.45Å; E225-A229 PolarHBondContact O-N 2.96Å |
| 226 | E | 75.1 | Confident | 69 | Low | 97 Ų | 97 | 128.7 Ų | 128.7 | 45% | 0.453 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.6 | -30.8 | 173.7 | -73 | 173.1 | 147.1 | 0 | 0 | 112.1 | S223 Q230 | S223-E226 PolarHBondContact N-OE2 2.71Å; S223-E226 PolarHBondContact O-N 2.99Å; S223-E226 WeakPolarHBondContact OG-CG 3.09Å; E226-Q230 VanDerWaalsContact O-CG 3.28Å; E226-Q230 WeakPolarHBondContact O-CG 3.1Å; E226-Q230 PolarHBondContact O-N 2.83Å |
| 227 | L | 70.6 | Confident | 70 | Confident | 91 Ų | 91 | 126 Ų | 126 | 48% | 0.476 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.9 | -38.9 | 174.2 | -71.6 | 173.4 | 0 | 0 | 0 | 111.8 | S223 A224 E225 Q230 L231 | S223-L227 PolarHBondContact O-N 2.66Å; A224-L227 PolarHBondContact O-N 2.79Å; E225-L227 VanDerWaalsContact C-N 3.34Å; L227-Q230 PolarHBondContact O-N 3.49Å; L227-L231 PolarHBondContact O-N 2.67Å |
| 228 | D | 77.8 | Confident | 71 | Confident | 99 Ų | 99 | 122.4 Ų | 122.4 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.3 | -43.1 | 178.3 | -72.6 | -13 | 0 | 0 | 0 | 111.2 | A224 E225 Q230 L231 D232 | A224-D228 PolarHBondContact O-N 2.67Å; E225-D228 PolarHBondContact O-N 2.74Å; D228-Q230 VanDerWaalsContact C-N 3.28Å; D228-Q230 PolarHBondContact O-N 3.39Å; D228-L231 WeakPolarHBondContact O-CB 3.24Å; D228-L231 PolarHBondContact O-N 2.88Å; D228-D232 PolarHBondContact O-N 3.01Å; D228-D232 VanDerWaalsContact O-N 3.1Å |
| 229 | A | 81.7 | Confident | 71.8 | Confident | 54 Ų | 54 | 120.6 Ų | 120.6 | 45% | 0.446 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.4 | -33.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E225 L231 T233 | E225-A229 WeakPolarHBondContact O-CB 3.45Å; E225-A229 PolarHBondContact O-N 2.96Å; A229-L231 VanDerWaalsContact C-N 3.31Å; A229-T233 WeakPolarHBondContact O-CG2 3.35Å; A229-T233 PolarHBondContact O-N 3.32Å; A229-T233 VanDerWaalsContact O-N 3.12Å; A229-T233 PolarHBondContact O-OG1 2.78Å |
| 230 | Q | 78.9 | Confident | 72.5 | Confident | 118 Ų | 118 | 117.3 Ų | 117.3 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.2 | -28.8 | 174.7 | -77.6 | 180 | 5.2 | 0 | 0 | 112.8 | E226 L227 D228 T233 Y234 | E226-Q230 VanDerWaalsContact O-CG 3.28Å; E226-Q230 WeakPolarHBondContact O-CG 3.1Å; E226-Q230 PolarHBondContact O-N 2.83Å; L227-Q230 PolarHBondContact O-N 3.49Å; D228-Q230 VanDerWaalsContact C-N 3.28Å; D228-Q230 PolarHBondContact O-N 3.39Å; Q230-T233 WeakPolarHBondContact CA-OG1 3.43Å; Q230-T233 PolarHBondContact O-OG1 3.25Å; Q230-Y234 PolarHBondContact O-N 2.86Å |
| 231 | L | 78.7 | Confident | 72.4 | Confident | 100 Ų | 100 | 116.4 Ų | 116.4 | 52% | 0.524 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -75 | -43.4 | 175.4 | -72 | 171.3 | 0 | 0 | 0 | 111.5 | L227 D228 A229 Y234 W235 | L227-L231 PolarHBondContact O-N 2.67Å; D228-L231 WeakPolarHBondContact O-CB 3.24Å; D228-L231 PolarHBondContact O-N 2.88Å; A229-L231 VanDerWaalsContact C-N 3.31Å; L231-Y234 PolarHBondContact O-N 3.26Å; L231-W235 PolarHBondContact O-N 2.84Å; L231-W235 VanDerWaalsContact O-N 3.09Å |
| 232 | D | 80.9 | Confident | 73.5 | Confident | 95 Ų | 95 | 112.6 Ų | 112.6 | 51% | 0.508 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.5 | -43.5 | 178.8 | -77 | -15.3 | 0 | 0 | 0 | 111.9 | D228 Y234 W235 E236 | D228-D232 PolarHBondContact O-N 3.01Å; D228-D232 VanDerWaalsContact O-N 3.1Å; D232-Y234 VanDerWaalsContact C-N 3.27Å; D232-Y234 PolarHBondContact O-N 3.36Å; D232-W235 PolarHBondContact O-N 3.44Å; D232-W235 VanDerWaalsContact O-N 3.13Å; D232-E236 PolarHBondContact O-N 2.91Å |
| 233 | T | 82.2 | Confident | 74.3 | Confident | 85 Ų | 85 | 113.1 Ų | 113.1 | 52% | 0.521 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.9 | -32.4 | 176.3 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | A229 Q230 M237 | A229-T233 WeakPolarHBondContact O-CG2 3.35Å; A229-T233 PolarHBondContact O-N 3.32Å; A229-T233 VanDerWaalsContact O-N 3.12Å; A229-T233 PolarHBondContact O-OG1 2.78Å; Q230-T233 WeakPolarHBondContact CA-OG1 3.43Å; Q230-T233 PolarHBondContact O-OG1 3.25Å; T233-M237 WeakPolarHBondContact O-CB 3.46Å; T233-M237 PolarHBondContact O-N 2.75Å |
| 234 | Y | 76.7 | Confident | 74.8 | Confident | 136 Ų | 136 | 116.4 Ų | 116.4 | 53% | 0.533 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -72.3 | -34.1 | 174.8 | -168.3 | -98.1 | 0 | 0 | 0 | 112.4 | Q230 L231 D232 M238 | Q230-Y234 PolarHBondContact O-N 2.86Å; L231-Y234 PolarHBondContact O-N 3.26Å; D232-Y234 VanDerWaalsContact C-N 3.27Å; D232-Y234 PolarHBondContact O-N 3.36Å; Y234-M238 HydrophobicContact CD1-CG 4.47Å; Y234-M238 HydrophobicContact CE1-CE 3.93Å; Y234-M238 HydrophobicContact CE1-CG 4.16Å; Y234-M238 HydrophobicContact CE2-CE 4.36Å; Y234-M238 WeakPolarHBondContact O-CG 3.4Å; Y234-M238 PolarHBondContact O-N 3.43Å; Y234-M238 WeakPolarHBondContact OH-CE 3.45Å |
| 235 | W | 77.3 | Confident | 74.9 | Confident | 171 Ų | 171 | 119.1 Ų | 119.1 | 65% | 0.648 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.2 | -42.4 | 174.5 | -75.9 | -15.4 | 0 | 0 | 0 | 112.5 | L231 D232 M237 M238 D239 | L231-W235 PolarHBondContact O-N 2.84Å; L231-W235 VanDerWaalsContact O-N 3.09Å; D232-W235 PolarHBondContact O-N 3.44Å; D232-W235 VanDerWaalsContact O-N 3.13Å; W235-M237 VanDerWaalsContact C-N 3.28Å; W235-M237 PolarHBondContact O-N 3.47Å; W235-M238 PolarHBondContact O-N 2.79Å; W235-M238 VanDerWaalsContact O-N 3.14Å; W235-D239 PolarHBondContact O-N 3.16Å |
| 236 | E | 78.4 | Confident | 74.7 | Confident | 142 Ų | 142 | 116.6 Ų | 116.6 | 66% | 0.664 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.3 | -32.4 | 176.1 | -74.8 | -172.7 | 149.7 | 0 | 0 | 113 | D232 M238 T240 | D232-E236 PolarHBondContact O-N 2.91Å; E236-M238 VanDerWaalsContact C-N 3.34Å; E236-T240 WeakPolarHBondContact O-CG2 3.5Å; E236-T240 PolarHBondContact O-OG1 2.75Å |
| 237 | M | 75.9 | Confident | 74.6 | Confident | 138 Ų | 138 | 117.9 Ų | 117.9 | 68% | 0.68 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74 | -24.6 | 176.3 | -169.2 | 168.3 | 128.3 | 0 | 0 | 112.9 | T233 W235 | T233-M237 WeakPolarHBondContact O-CB 3.46Å; T233-M237 PolarHBondContact O-N 2.75Å; W235-M237 VanDerWaalsContact C-N 3.28Å; W235-M237 PolarHBondContact O-N 3.47Å |
| 238 | M | 72.8 | Confident | 74.9 | Confident | 112 Ų | 112 | 119.9 Ų | 119.9 | 55% | 0.552 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -82.3 | -26.6 | 177.1 | -79.3 | -71.5 | -178.6 | 0 | 0 | 113.4 | Y234 W235 E236 T240 | Y234-M238 HydrophobicContact CD1-CG 4.47Å; Y234-M238 HydrophobicContact CE1-CE 3.93Å; Y234-M238 HydrophobicContact CE1-CG 4.16Å; Y234-M238 HydrophobicContact CE2-CE 4.36Å; Y234-M238 WeakPolarHBondContact O-CG 3.4Å; Y234-M238 PolarHBondContact O-N 3.43Å; Y234-M238 WeakPolarHBondContact OH-CE 3.45Å; W235-M238 PolarHBondContact O-N 2.79Å; W235-M238 VanDerWaalsContact O-N 3.14Å; E236-M238 VanDerWaalsContact C-N 3.34Å; M238-T240 VanDerWaalsContact C-N 3.35Å |
| 239 | D | 68.9 | Low | 74.7 | Confident | 147 Ų | 147 | 121.5 Ų | 121.5 | 79% | 0.786 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -3.5 | 178.2 | -78.9 | -22 | 0 | 0 | 0 | 113.7 | W235 | W235-D239 PolarHBondContact O-N 3.16Š|
| 240 | T | 66 | Low | 74.1 | Confident | 115 Ų | 115 | 127.1 Ų | 127.1 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 12 | -176.8 | 52.7 | 0 | 0 | 0 | 0 | 115.1 | E236 M238 | E236-T240 WeakPolarHBondContact O-CG2 3.5Å; E236-T240 PolarHBondContact O-OG1 2.75Å; M238-T240 VanDerWaalsContact C-N 3.35Å |
| 241 | S | 53.1 | Low | 73.7 | Confident | 166 Ų | 166 | 127.9 Ų | 127.9 | 100% | 1.161 | 66% | 0.662 | S | S | * | * | trans | -121.9 | 0 | 172.4 | -63 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 241 of 241 residues in 87.7 ms
(Link to these results)