| 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 | 29.5 | Very low | 25.8 | Very low | 235 Ų | 235 | 151.5 Ų | 151.5 | 100% | 1.158 | 76% | 0.756 | S | S | * | * | 0 | 82.6 | 0 | -114 | 168.7 | 158.8 | 0 | 0 | 106.5 | |||||
| 2 | F | 24.6 | Very low | 26.5 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | 49.1 | 96.4 | 112.7 | -80.1 | -79.7 | 0 | 0 | 0 | 111.9 | |||||
| 3 | L | 26.1 | Very low | 26.7 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | 77.3 | 145.9 | 91.8 | -145.4 | 86.1 | 0 | 0 | 0 | 109.8 | |||||
| 4 | Q | 25.2 | Very low | 26.7 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 62% | 0.617 | 74% | 0.744 | S | S | * | * | trans | 107.3 | 112.4 | 144.5 | -72.3 | -179.8 | -19.1 | 0 | 0 | 118.9 | ||||
| 5 | F | 26.2 | Very low | 27.1 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | 79.1 | 145.5 | 120.5 | -69 | -39.1 | 0 | 0 | 0 | 116.3 | |||||
| 6 | A | 26.6 | Very low | 27.3 | Very low | 71 Ų | 71 | 140.3 Ų | 140.3 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | cis | 177.3 | 160.6 | -8.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 7 | V | 26.1 | Very low | 27.7 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | trans | 75.2 | 108.7 | 133.3 | 169 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 8 | W | 24.2 | Very low | 28.3 | Very low | 206 Ų | 206 | 136.6 Ų | 136.6 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | 81.7 | 134.7 | 127.8 | -94.4 | -7.5 | 0 | 0 | 0 | 122.5 | |||||
| 9 | K | 24.2 | Very low | 29 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | 104.5 | 109.2 | 122.3 | -87.4 | 167.9 | 175.3 | 176.2 | 0 | 117.6 | |||||
| 10 | C | 26.7 | Very low | 29.4 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 75% | 0.75 | 72% | 0.718 | S | S | * | * | 40.1 | 109.4 | 127 | -59.6 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 11 | L | 24.3 | Very low | 29.8 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | -149.5 | 108.4 | 141.9 | -130.6 | 102 | 0 | 0 | 0 | 110.3 | H13 | L11-H13 HydrophobicContact CD2-CB 4.46Š| ||
| 12 | P | 34.9 | Very low | 29.7 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | trans | -93.6 | 106.1 | 161.3 | 32.1 | -22.3 | 0 | 0 | 0 | 108.8 | ||||
| 13 | H | 29.2 | Very low | 30.3 | Very low | 142 Ų | 142 | 127 Ų | 127 | 66% | 0.657 | 70% | 0.703 | S | S | * | * | trans | -141 | 117.1 | 166.9 | -72.2 | 5.9 | 0 | 0 | 0 | 105.4 | L11 | L11-H13 HydrophobicContact CD2-CB 4.46Š| ||
| 14 | G | 26.8 | Very low | 30.4 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | cis | 55.8 | 66.3 | 21.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 15 | I | 32.7 | Very low | 30.6 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | cis | 47.4 | 98.4 | 42.3 | -47.2 | 175.2 | 0 | 0 | 0 | 112.4 | ||||
| 16 | L | 30.5 | Very low | 30.6 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 58% | 0.576 | 72% | 0.718 | S | S | * | * | -155.4 | 150.9 | -65.3 | -122.1 | 150.3 | 0 | 0 | 0 | 106.2 | A18 S19 | L16-A18 VanDerWaalsContact CB-C 3.41Å; L16-A18 HydrophobicContact CB-CB 4.05Å; L16-A18 WeakPolarHBondContact CB-O 3.41Å; L16-A18 HydrophobicContact CD2-CB 4.12Å; L16-A18 HydrophobicContact CG-CB 4.47Å; L16-A18 CarbonylContact O-C 3.35Å; L16-A18 PolarHBondContact O-N 3.37Å; L16-S19 PolarHBondContact O-N 3.23Å | |||
| 17 | I | 33.5 | Very low | 30.6 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -62.2 | 90.9 | 139.7 | -67.2 | -163 | 0 | 0 | 0 | 104.9 | L20 | I17-L20 HydrophobicContact CB-CD1 3.94Å; I17-L20 HydrophobicContact CD1-CD1 3.59Å; I17-L20 HydrophobicContact CG1-CD1 3.38Å; I17-L20 HydrophobicContact CG1-CG 4.14Å; I17-L20 HydrophobicContact CG2-CD1 3.88Å |
| 18 | A | 38.2 | Very low | 30.9 | Very low | 74 Ų | 74 | 137 Ų | 137 | 61% | 0.612 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 115.3 | 53.5 | -159.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L16 | L16-A18 VanDerWaalsContact CB-C 3.41Å; L16-A18 HydrophobicContact CB-CB 4.05Å; L16-A18 WeakPolarHBondContact CB-O 3.41Å; L16-A18 HydrophobicContact CD2-CB 4.12Å; L16-A18 HydrophobicContact CG-CB 4.47Å; L16-A18 CarbonylContact O-C 3.35Å; L16-A18 PolarHBondContact O-N 3.37Å |
| 19 | S | 41.3 | Very low | 31.3 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | S | Bend | -125.5 | 81.4 | 61 | 54 | 0 | 0 | 0 | 0 | 113.5 | L16 L21 | L16-S19 PolarHBondContact O-N 3.23Å; S19-L21 PolarHBondContact O-N 2.7Å | |
| 20 | L | 36.9 | Very low | 31.8 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 61% | 0.607 | 74% | 0.743 | S | S | * | * | trans | -85.6 | 96.2 | 167.5 | -108.5 | 178.1 | 0 | 0 | 0 | 109.5 | I17 | I17-L20 HydrophobicContact CB-CD1 3.94Å; I17-L20 HydrophobicContact CD1-CD1 3.59Å; I17-L20 HydrophobicContact CG1-CD1 3.38Å; I17-L20 HydrophobicContact CG1-CG 4.14Å; I17-L20 HydrophobicContact CG2-CD1 3.88Å | ||
| 21 | L | 37.3 | Very low | 32.5 | Very low | 162 Ų | 162 | 133 Ų | 133 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | 174.4 | 119.2 | 144.6 | -91.4 | 155.7 | 0 | 0 | 0 | 106.1 | S19 | S19-L21 PolarHBondContact O-N 2.7Š| ||
| 22 | V | 29.4 | Very low | 33.9 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | cis | -170.7 | 158.3 | -0.9 | 129.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 23 | V | 35.7 | Very low | 34.7 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | trans | -45 | 127.3 | 172.1 | 173.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 24 | S | 28.1 | Very low | 36.1 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | trans | 154.5 | 124.7 | 150.2 | 48.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 25 | W | 30.9 | Very low | 38.3 | Very low | 258 Ų | 258 | 133.3 Ų | 133.3 | 98% | 0.977 | 69% | 0.691 | S | S | * | * | cis | -135 | 135 | 13.9 | -75.1 | -28.4 | 0 | 0 | 0 | 110.3 | ||||
| 26 | G | 25.9 | Very low | 40.6 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 75% | 0.753 | 66% | 0.661 | S | S | * | * | trans | -99 | 167.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 27 | Q | 26.7 | Very low | 43.2 | Very low | 168 Ų | 168 | 122.1 Ų | 122.1 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | trans | 75.7 | 105.8 | 169.2 | -88.7 | 176.5 | -46.9 | 0 | 0 | 119.1 | ||||
| 28 | Y | 31.1 | Very low | 45.6 | Very low | 246 Ų | 246 | 120.5 Ų | 120.5 | 97% | 0.965 | 62% | 0.621 | S | S | * | * | trans | -139.1 | 126.6 | 132.8 | -106.7 | -87.7 | 0 | 0 | 0 | 108 | ||||
| 29 | D | 32.1 | Very low | 47.6 | Very low | 131 Ų | 131 | 118.7 Ų | 118.7 | 70% | 0.701 | 60% | 0.601 | S | S | * | * | trans | -73 | 157 | -166.8 | -74.2 | -53.4 | 0 | 0 | 0 | 115.3 | ||||
| 30 | D | 35.1 | Very low | 49.5 | Very low | 144 Ų | 144 | 116.9 Ų | 116.9 | 77% | 0.77 | 59% | 0.592 | S | S | * | * | trans | -53.4 | 123.1 | 168.4 | -76.9 | -49.7 | 0 | 0 | 0 | 113.2 | W32 | D30-W32 PolarHBondContact O-N 3.15Å; D30-W32 VanDerWaalsContact O-N 3.17Å | ||
| 31 | D | 42.5 | Very low | 51.5 | Low | 102 Ų | 102 | 116 Ų | 116 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | trans | -84.5 | 76.9 | 167.2 | -89 | -23.2 | 0 | 0 | 0 | 110.8 | Q33 Y34 | D31-Q33 PolarHBondContact O-N 3.49Å; D31-Y34 HydrophobicContact CB-CD2 3.99Å; D31-Y34 HydrophobicContact CB-CE2 3.95Å | ||
| 32 | W | 52 | Low | 52.9 | Low | 163 Ų | 163 | 112.3 Ų | 112.3 | 62% | 0.617 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -57 | -5.7 | 166.1 | 50.4 | -85.3 | 0 | 0 | 0 | 113.8 | D30 Y34 K129 | D30-W32 PolarHBondContact O-N 3.15Å; D30-W32 VanDerWaalsContact O-N 3.17Å; W32-Y34 VanDerWaalsContact C-N 3.29Å; W32-Y34 PolarHBondContact O-N 3.19Å; W32-K129 VanDerWaalsContact CH2-NZ 3.32Å |
| 33 | Q | 53.2 | Low | 54.5 | Low | 72 Ų | 72 | 109.3 Ų | 109.3 | 34% | 0.336 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -72 | -15.6 | -175.4 | -58.1 | -176 | 8.8 | 0 | 0 | 114.1 | D31 N127 K129 V130 | D31-Q33 PolarHBondContact O-N 3.49Å; Q33-N127 PolarHBondContact O-ND2 3.1Å; Q33-K129 HydrophobicContact CB-CD 4.42Å; Q33-K129 HydrophobicContact CG-CD 4.28Å; Q33-V130 WeakPolarHBondContact O-CG2 3.36Å |
| 34 | Y | 57.8 | Low | 55.7 | Low | 146 Ų | 146 | 107.5 Ų | 107.5 | 57% | 0.573 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -88.7 | -5 | -178.9 | -69.2 | -82.8 | 0 | 0 | 0 | 115.4 | D31 W32 V130 | D31-Y34 HydrophobicContact CB-CD2 3.99Å; D31-Y34 HydrophobicContact CB-CE2 3.95Å; W32-Y34 VanDerWaalsContact C-N 3.29Å; W32-Y34 PolarHBondContact O-N 3.19Å; Y34-V130 HydrophobicContact CD1-CG1 4.07Å; Y34-V130 HydrophobicContact CD1-CG2 4.3Å; Y34-V130 HydrophobicContact CE1-CG1 3.76Å; Y34-V130 HydrophobicContact CE1-CG2 4.43Å |
| 35 | E | 73.4 | Confident | 57.6 | Low | 96 Ų | 96 | 108 Ų | 108 | 45% | 0.449 | 57% | 0.567 | S | S | . | * | trans | -89 | -18.1 | -179.3 | -68.5 | -147.8 | 146.6 | 0 | 0 | 114.8 | K38 K68 | E35-K38 WeakPolarHBondContact O-CB 3.49Å; E35-K38 PolarHBondContact O-N 3.15Å; E35-K38 VanDerWaalsContact O-N 3.13Å; E35-K68 HydrophobicContact CB-CD 4.28Å; E35-K68 IonicContact OE1-NZ 3.85Å; E35-K68 IonicContact OE2-NZ 2.66Å; E35-K68 PolarHBondContact OE2-NZ 3.28Å | ||
| 36 | D | 80.6 | Confident | 59.8 | Low | 19 Ų | 19 | 96.9 Ų | 96.9 | 10% | 0.102 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 140.4 | 179.1 | -81.7 | -8.5 | 0 | 0 | 0 | 110.7 | K68 G69 T77 I78 N127 | D36-K68 WeakPolarHBondContact CA-O 3.47Å; D36-G69 VanDerWaalsContact OD1-CA 3.29Å; D36-G69 WeakPolarHBondContact OD1-CA 3.26Å; D36-G69 PolarHBondContact OD1-N 2.86Å; D36-T77 WeakPolarHBondContact OD2-CB 3.28Å; D36-T77 PolarHBondContact OD2-OG1 2.74Å; D36-I78 HydrophobicContact CB-CG2 3.76Å; D36-N127 HydrophobicContact CB-CB 4.49Å; D36-N127 VanDerWaalsContact CB-ND2 3.32Å; D36-N127 WeakPolarHBondContact CB-ND2 3.29Å; D36-N127 PolarHBondContact O-ND2 2.78Å |
| 37 | C | 85.9 | Confident | 62.4 | Low | 0 Ų | 0 | 93.7 Ų | 93.7 | 0% | 0 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -5.3 | -167.2 | -66.6 | 0 | 0 | 0 | 0 | 118 | K68 C125 V126 N127 I134 H136 | C37-K68 PolarHBondContact N-O 3.42Å; C37-C125 WeakPolarHBondContact CA-SG 3.38Å; C37-C125 HydrophobicContact CB-CB 3.64Å; C37-C125 WeakPolarHBondContact CB-SG 3.38Å; C37-C125 WeakPolarHBondContact SG-CB 3.31Å; C37-C125 PolarHBondContact SG-O 3.05Å; C37-C125 VanDerWaalsContact SG-O 3.39Å; C37-C125 CovalentContact SG-SG 2.04Å; C37-C125 PolarHBondContact SG-SG 3.22Å; C37-V126 VanDerWaalsContact SG-C 3.5Å; C37-N127 PolarHBondContact SG-N 2.98Å; C37-N127 VanDerWaalsContact SG-N 3.36Å; C37-I134 HydrophobicContact CB-CB 4.12Å; C37-I134 HydrophobicContact CB-CD1 3.82Å; C37-I134 HydrophobicContact CB-CG1 4.09Å; C37-H136 PolarHBondContact O-CE1 3.48Å; C37-H136 VanDerWaalsContact O-CE1 3.31Å; C37-H136 PolarHBondContact O-NE2 3.31Å |
| 38 | K | 84.2 | Confident | 65.1 | Low | 106 Ų | 106 | 91.4 Ų | 91.4 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -81 | 151 | 172 | -65.6 | -179.2 | -177.8 | 173 | 0 | 111.6 | E35 K68 I134 | E35-K38 WeakPolarHBondContact O-CB 3.49Å; E35-K38 PolarHBondContact O-N 3.15Å; E35-K38 VanDerWaalsContact O-N 3.13Å; K38-K68 WeakPolarHBondContact O-CB 3.38Å; K38-K68 WeakPolarHBondContact O-CG 3.36Å; K38-K68 PolarHBondContact O-N 3.42Å; K38-I134 HydrophobicContact CG-CD1 4.19Å |
| 39 | L | 79.8 | Confident | 67.9 | Low | 35 Ų | 35 | 81.4 Ų | 81.4 | 18% | 0.183 | 45% | 0.452 | C | S | . | . | B | Isolated β-bridge | trans | -67.3 | 135 | 171.8 | -68.2 | 169.1 | 0 | 0 | 0 | 110.1 | R41 M65 I67 | L39-R41 HydrophobicContact CB-CG 4.43Å; L39-R41 PolarHBondContact O-N 2.97Å; L39-M65 WeakPolarHBondContact CD2-O 3.32Å; L39-I67 HydrophobicContact CD2-CG1 4.15Å |
| 40 | A | 80.8 | Confident | 70.5 | Confident | 63 Ų | 63 | 77.9 Ų | 77.9 | 52% | 0.521 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -74.8 | -14.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L66 K68 | A40-L66 HydrophobicContact CB-CB 4.35Å; A40-L66 WeakPolarHBondContact CB-O 3.41Å; A40-L66 PolarHBondContact N-O 2.82Å; A40-K68 HydrophobicContact CB-CG 3.99Å |
| 41 | R | 79.6 | Confident | 73.2 | Confident | 98 Ų | 98 | 71.3 Ų | 71.3 | 37% | 0.37 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -98.2 | 145.4 | 176.6 | 70.2 | -179.5 | -169.7 | -159.6 | -2.7 | 111.7 | L39 T47 | L39-R41 HydrophobicContact CB-CG 4.43Å; L39-R41 PolarHBondContact O-N 2.97Å; R41-T47 PolarHBondContact NH2-OG1 2.93Å |
| 42 | G | 65.2 | Low | 75.3 | Confident | 84 Ų | 84 | 68.2 Ų | 68.2 | 87% | 0.866 | 39% | 0.389 | S | S | * | . | trans | -79.7 | 137.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 43 | G | 63.5 | Low | 77.1 | Confident | 57 Ų | 57 | 60.4 Ų | 60.4 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 154.6 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 44 | P | 62 | Low | 78.6 | Confident | 99 Ų | 99 | 62.1 Ų | 62.1 | 64% | 0.643 | 37% | 0.368 | S | S | * | . | trans | -56.3 | 146.3 | 176.5 | 22.8 | -31.4 | 0 | 0 | 0 | 110.8 | A46 | P44-A46 PolarHBondContact O-N 2.91Š| ||
| 45 | P | 67.3 | Low | 80.1 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 70% | 0.695 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -65.3 | -21.3 | -174.4 | 24.5 | -32.8 | 0 | 0 | 0 | 113.2 | ||
| 46 | A | 76.1 | Confident | 80.7 | Confident | 25 Ų | 25 | 61.7 Ų | 61.7 | 21% | 0.207 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -93.5 | 138.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P44 E137 | P44-A46 PolarHBondContact O-N 2.91Å; A46-E137 CarbonylContact C-O 3.55Å; A46-E137 WeakPolarHBondContact CA-O 3.47Å; A46-E137 HydrophobicContact CB-CB 4.16Å |
| 47 | T | 82.5 | Confident | 81 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.043 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 115.6 | 171.6 | -57.1 | 0 | 0 | 0 | 0 | 109.3 | R41 V49 V62 E137 V138 R139 | R41-T47 PolarHBondContact NH2-OG1 2.93Å; T47-V49 HydrophobicContact CG2-CG1 4.47Å; T47-V62 HydrophobicContact CG2-CG2 4.38Å; T47-E137 PolarHBondContact N-O 2.96Å; T47-V138 CarbonylContact O-C 3.6Å; T47-V138 WeakPolarHBondContact O-CA 3.1Å; T47-R139 PolarHBondContact O-N 2.82Å |
| 48 | I | 83 | Confident | 81.1 | Confident | 120 Ų | 120 | 66.5 Ų | 66.5 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.6 | 173.6 | -55.2 | 175.2 | 0 | 0 | 0 | 108.2 | R139 V141 | I48-R139 WeakPolarHBondContact CA-O 3.46Å; I48-R139 HydrophobicContact CG1-CB 4.45Å; I48-V141 HydrophobicContact CG2-CG2 4.05Å |
| 49 | V | 88.3 | Confident | 81.3 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 22% | 0.218 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150.3 | 176.3 | -92.1 | 0 | 0 | 0 | 0 | 109.4 | T47 L61 V62 V138 R139 I140 V141 | T47-V49 HydrophobicContact CG2-CG1 4.47Å; V49-L61 WeakPolarHBondContact CG1-O 3.48Å; V49-V62 HydrophobicContact CG1-CG2 4.18Å; V49-V62 HydrophobicContact CG2-CG2 3.83Å; V49-V138 HydrophobicContact CG2-CG1 3.93Å; V49-R139 PolarHBondContact N-O 2.81Å; V49-I140 HydrophobicContact CG2-CG1 3.92Å; V49-I140 CarbonylContact O-C 3.57Å; V49-I140 VanDerWaalsContact O-CA 3.26Å; V49-I140 WeakPolarHBondContact O-CA 3.42Å; V49-V141 PolarHBondContact O-N 2.88Å |
| 50 | A | 88.3 | Confident | 81.8 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V141 R143 | A50-V141 VanDerWaalsContact CA-O 3.28Å; A50-V141 WeakPolarHBondContact CA-O 3.48Å; A50-R143 HydrophobicContact CB-CG 3.98Å |
| 51 | I | 91.1 | Very high | 82.3 | Confident | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.036 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 142.3 | 175 | -170.9 | 158 | 0 | 0 | 0 | 108.5 | S55 T59 L61 L101 L108 I140 V141 V142 R143 | I51-S55 VanDerWaalsContact CG1-OG 3.24Å; I51-S55 WeakPolarHBondContact CG1-OG 3.16Å; I51-T59 HydrophobicContact CD1-CG2 3.81Å; I51-T59 HydrophobicContact CG1-CG2 4.5Å; I51-L61 HydrophobicContact CB-CD2 4.13Å; I51-L61 HydrophobicContact CD1-CD2 3.47Å; I51-L61 VanDerWaalsContact CD1-CD2 3.47Å; I51-L61 HydrophobicContact CG1-CD2 4.39Å; I51-L61 HydrophobicContact CG2-CD2 4.32Å; I51-L101 HydrophobicContact CD1-CB 4.03Å; I51-L101 HydrophobicContact CD1-CD1 4.44Å; I51-L101 HydrophobicContact CD1-CD2 3.72Å; I51-L101 HydrophobicContact CD1-CG 4.27Å; I51-L108 HydrophobicContact CG2-CD2 3.74Å; I51-I140 HydrophobicContact CB-CG2 4.3Å; I51-I140 HydrophobicContact CG2-CG2 3.48Å; I51-I140 VanDerWaalsContact CG2-CG2 3.48Å; I51-V141 PolarHBondContact N-O 2.89Å; I51-V142 HydrophobicContact CG2-CG2 4.45Å; I51-V142 CarbonylContact O-C 3.56Å; I51-V142 WeakPolarHBondContact O-CA 3.2Å; I51-R143 PolarHBondContact O-N 3.17Å |
| 52 | D | 87.7 | Confident | 82.7 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 19% | 0.193 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 146.9 | 173.1 | -56.3 | -14.7 | 0 | 0 | 0 | 108.7 | S55 R143 R145 | D52-S55 WeakPolarHBondContact O-CB 3.48Å; D52-S55 PolarHBondContact O-N 3.03Å; D52-S55 PolarHBondContact O-OG 2.81Å; D52-R143 IonicContact OD1-CZ 3.07Å; D52-R143 IonicContact OD1-NE 3.92Å; D52-R143 PolarHBondContact OD1-NE 3.31Å; D52-R143 IonicContact OD1-NH2 2.7Å; D52-R143 PolarHBondContact OD1-NH2 2.88Å; D52-R143 IonicContact OD2-NH2 3.92Å; D52-R145 HydrophobicContact CB-CG 4.18Å; D52-R145 IonicContact OD2-CZ 3.63Å; D52-R145 IonicContact OD2-NE 3.73Å; D52-R145 IonicContact OD2-NH2 2.84Å; D52-R145 PolarHBondContact OD2-NH2 3.32Å |
| 53 | E | 88.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 163.3 | 164.8 | 78.1 | -169.6 | 113.1 | 0 | 0 | 111.7 | S55 L108 R110 V142 R143 D144 R145 | E53-S55 PolarHBondContact O-N 2.88Å; E53-L108 CarbonylContact C-O 3.58Å; E53-L108 WeakPolarHBondContact CA-O 3.35Å; E53-L108 WeakPolarHBondContact CB-O 3.42Å; E53-R110 HydrophobicContact CB-CB 4.31Å; E53-R110 WeakPolarHBondContact OE2-CA 3.29Å; E53-R110 WeakPolarHBondContact OE2-CB 3.42Å; E53-R110 PolarHBondContact OE2-N 3.06Å; E53-V142 HydrophobicContact CB-CG1 3.75Å; E53-R143 PolarHBondContact N-O 2.81Å; E53-D144 WeakPolarHBondContact OE1-CA 3.18Å; E53-R145 HydrophobicContact CG-CB 3.94Å; E53-R145 HydrophobicContact CG-CG 4.27Å; E53-R145 PolarHBondContact OE1-N 2.78Å |
| 54 | E | 85.9 | Confident | 84.7 | Confident | 107 Ų | 107 | 62.2 Ų | 62.2 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 11.7 | -170.9 | -53 | -159.2 | 117.7 | 0 | 0 | 115.3 | R56 V107 L108 | E54-R56 PolarHBondContact O-N 2.98Å; E54-V107 HydrophobicContact CB-CG1 4.4Å; E54-V107 HydrophobicContact CG-CG1 3.96Å; E54-L108 PolarHBondContact N-O 3.02Å |
| 55 | S | 87.8 | Confident | 85.8 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 134.6 | 178.1 | -76.1 | 0 | 0 | 0 | 0 | 111.3 | I51 D52 E53 L101 | I51-S55 VanDerWaalsContact CG1-OG 3.24Å; I51-S55 WeakPolarHBondContact CG1-OG 3.16Å; D52-S55 WeakPolarHBondContact O-CB 3.48Å; D52-S55 PolarHBondContact O-N 3.03Å; D52-S55 PolarHBondContact O-OG 2.81Å; E53-S55 PolarHBondContact O-N 2.88Å; S55-L101 VanDerWaalsContact O-CD2 3.26Å; S55-L101 WeakPolarHBondContact O-CD2 3.1Å |
| 56 | R | 85.7 | Confident | 86.8 | Confident | 212 Ų | 212 | 56.1 Ų | 56.1 | 80% | 0.8 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 148.7 | -174.3 | -64.5 | -177.5 | -176.6 | -177.5 | 1.3 | 111.5 | E54 G58 T59 | E54-R56 PolarHBondContact O-N 2.98Å; R56-G58 PolarHBondContact O-N 3Å; R56-T59 WeakPolarHBondContact O-CB 3.3Å; R56-T59 PolarHBondContact O-N 3.37Å; R56-T59 VanDerWaalsContact O-N 3.13Å; R56-T59 PolarHBondContact O-OG1 2.92Å |
| 57 | N | 87.8 | Confident | 87.3 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 43% | 0.428 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 134.9 | 172.9 | -172.7 | 36.4 | 0 | 0 | 0 | 111.2 | L101 N102 S103 T104 | N57-L101 PolarHBondContact OD1-O 3.22Å; N57-N102 VanDerWaalsContact OD1-CA 3.3Å; N57-N102 WeakPolarHBondContact OD1-CA 3.18Å; N57-S103 WeakPolarHBondContact CA-OG 3.13Å; N57-S103 VanDerWaalsContact CB-OG 3.29Å; N57-S103 WeakPolarHBondContact CB-OG 3.12Å; N57-S103 PolarHBondContact N-OG 2.94Å; N57-S103 VanDerWaalsContact N-OG 3.12Å; N57-S103 PolarHBondContact OD1-N 2.91Å; N57-T104 WeakPolarHBondContact ND2-CG2 3.21Å |
| 58 | G | 87 | Confident | 87.4 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 6.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | R56 I60 L101 | R56-G58 PolarHBondContact O-N 3Å; G58-I60 PolarHBondContact O-N 3.36Å; G58-L101 WeakPolarHBondContact CA-O 3.45Å; G58-L101 PolarHBondContact N-O 2.8Å |
| 59 | T | 89.7 | Confident | 87.6 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | trans | -60.5 | 133.7 | 173.2 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | I51 R56 L61 F100 L101 | I51-T59 HydrophobicContact CD1-CG2 3.81Å; I51-T59 HydrophobicContact CG1-CG2 4.5Å; R56-T59 WeakPolarHBondContact O-CB 3.3Å; R56-T59 PolarHBondContact O-N 3.37Å; R56-T59 VanDerWaalsContact O-N 3.13Å; R56-T59 PolarHBondContact O-OG1 2.92Å; T59-L61 PolarHBondContact O-N 3.11Å; T59-F100 CarbonylContact O-C 3.54Å; T59-F100 WeakPolarHBondContact O-CA 3.24Å; T59-L101 PolarHBondContact O-N 3.3Å | ||
| 60 | I | 90.7 | Very high | 87.4 | Confident | 88 Ų | 88 | 55.6 Ų | 55.6 | 45% | 0.451 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 115.3 | -179.7 | -60.4 | 168.3 | 0 | 0 | 0 | 108.5 | G58 D63 M98 F100 | G58-I60 PolarHBondContact O-N 3.36Å; I60-D63 HydrophobicContact CG2-CB 3.98Å; I60-M98 HydrophobicContact CB-CE 4.48Å; I60-M98 HydrophobicContact CD1-CE 3.71Å; I60-M98 HydrophobicContact CG1-CE 3.83Å; I60-M98 HydrophobicContact CG2-CE 3.82Å; I60-F100 HydrophobicContact CG1-CD1 3.96Å; I60-F100 HydrophobicContact CG1-CE1 3.72Å |
| 61 | L | 89.6 | Confident | 87.2 | Confident | 15 Ų | 15 | 54 Ų | 54 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -44.9 | 174.2 | -66 | 168.6 | 0 | 0 | 0 | 110.6 | V49 I51 T59 V90 L99 F100 L101 I140 | V49-L61 WeakPolarHBondContact CG1-O 3.48Å; I51-L61 HydrophobicContact CB-CD2 4.13Å; I51-L61 HydrophobicContact CD1-CD2 3.47Å; I51-L61 VanDerWaalsContact CD1-CD2 3.47Å; I51-L61 HydrophobicContact CG1-CD2 4.39Å; I51-L61 HydrophobicContact CG2-CD2 4.32Å; T59-L61 PolarHBondContact O-N 3.11Å; L61-V90 HydrophobicContact CD1-CB 4.44Å; L61-V90 HydrophobicContact CD1-CG1 4.02Å; L61-V90 HydrophobicContact CD1-CG2 3.98Å; L61-L99 HydrophobicContact CB-CB 4.07Å; L61-L99 WeakPolarHBondContact CB-O 3.39Å; L61-L99 PolarHBondContact N-O 2.87Å; L61-F100 VanDerWaalsContact CD1-C 3.49Å; L61-L101 HydrophobicContact CD1-CB 4.32Å; L61-L101 HydrophobicContact CD2-CB 4.3Å; L61-L101 HydrophobicContact CG-CB 4.21Å; L61-I140 HydrophobicContact CD1-CD1 3.77Å; L61-I140 HydrophobicContact CD1-CG1 4.38Å; L61-I140 HydrophobicContact CD2-CD1 4.42Å; L61-I140 HydrophobicContact CD2-CG1 4.25Å; L61-I140 HydrophobicContact CD2-CG2 3.82Å |
| 62 | V | 88.2 | Confident | 86.6 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 117.8 | 177.3 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | T47 V49 M65 M98 L99 V138 | T47-V62 HydrophobicContact CG2-CG2 4.38Å; V49-V62 HydrophobicContact CG1-CG2 4.18Å; V49-V62 HydrophobicContact CG2-CG2 3.83Å; V62-M65 HydrophobicContact CG1-CG 3.8Å; V62-M98 CarbonylContact O-C 3.33Å; V62-M98 VanDerWaalsContact O-CA 3.25Å; V62-M98 WeakPolarHBondContact O-CA 3.49Å; V62-L99 HydrophobicContact CB-CB 4.05Å; V62-L99 HydrophobicContact CB-CD1 4.36Å; V62-L99 HydrophobicContact CB-CG 4.28Å; V62-L99 HydrophobicContact CG2-CB 4.27Å; V62-L99 HydrophobicContact CG2-CD1 3.99Å; V62-L99 HydrophobicContact CG2-CG 4.42Å; V62-L99 PolarHBondContact N-O 3.2Å; V62-L99 VanDerWaalsContact N-O 3.15Å; V62-L99 PolarHBondContact O-N 3.33Å; V62-V138 HydrophobicContact CG2-CG1 4.07Å |
| 63 | D | 86.1 | Confident | 86.2 | Confident | 114 Ų | 114 | 55.9 Ų | 55.9 | 61% | 0.61 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -77.3 | -27.5 | -179.1 | -171.9 | 35.7 | 0 | 0 | 0 | 112.7 | I60 M98 | I60-D63 HydrophobicContact CG2-CB 3.98Å; D63-M98 WeakPolarHBondContact O-CG 3.15Å; D63-M98 WeakPolarHBondContact OD1-CE 3.38Å |
| 64 | N | 86.1 | Confident | 85.8 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | trans | -160.7 | 121.2 | 171.7 | -169.3 | -20.3 | 0 | 0 | 0 | 110.3 | L66 | N64-L66 PolarHBondContact O-N 3.36Å; N64-L66 WeakPolarHBondContact OD1-CA 3.4Å; N64-L66 PolarHBondContact OD1-N 3.17Å | ||
| 65 | M | 85.1 | Confident | 85.6 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.02 | 38% | 0.375 | C | S | . | . | trans | -73.7 | -13.5 | 177.2 | -67.3 | -178.1 | -72.4 | 0 | 0 | 113.8 | L39 V62 I67 L80 L92 Q97 L99 V123 | L39-M65 WeakPolarHBondContact CD2-O 3.32Å; V62-M65 HydrophobicContact CG1-CG 3.8Å; M65-I67 VanDerWaalsContact C-N 3.28Å; M65-I67 HydrophobicContact CB-CD1 4.01Å; M65-I67 HydrophobicContact CB-CG1 3.97Å; M65-I67 HydrophobicContact CE-CD1 4.22Å; M65-I67 PolarHBondContact O-N 2.91Å; M65-I67 HydrophobicContact SD-CD1 4.26Å; M65-L80 HydrophobicContact CE-CD1 3.97Å; M65-L92 HydrophobicContact CE-CD1 3.5Å; M65-L92 VanDerWaalsContact CE-CD1 3.5Å; M65-Q97 HydrophobicContact CB-CB 4.28Å; M65-Q97 HydrophobicContact CE-CB 3.87Å; M65-Q97 WeakPolarHBondContact CG-O 3.38Å; M65-Q97 PolarHBondContact N-O 2.78Å; M65-L99 HydrophobicContact SD-CD1 4.19Å; M65-L99 HydrophobicContact SD-CD2 4.4Å; M65-L99 HydrophobicContact SD-CG 4.15Å; M65-V123 HydrophobicContact CE-CG1 3.95Å; M65-V123 HydrophobicContact CE-CG2 4.43Å; M65-V123 HydrophobicContact SD-CB 4.08Å; M65-V123 HydrophobicContact SD-CG1 3.94Å; M65-V123 HydrophobicContact SD-CG2 3.64Å | ||
| 66 | L | 87.1 | Confident | 85.5 | Confident | 73 Ų | 73 | 65.1 Ų | 65.1 | 38% | 0.382 | 38% | 0.38 | S | S | . | . | trans | 57 | 39 | 179.1 | -61.3 | 168.4 | 0 | 0 | 0 | 112.9 | A40 N64 | A40-L66 HydrophobicContact CB-CB 4.35Å; A40-L66 WeakPolarHBondContact CB-O 3.41Å; A40-L66 PolarHBondContact N-O 2.82Å; N64-L66 PolarHBondContact O-N 3.36Å; N64-L66 WeakPolarHBondContact OD1-CA 3.4Å; N64-L66 PolarHBondContact OD1-N 3.17Å | ||
| 67 | I | 87.3 | Confident | 85.6 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 124.5 | 174.1 | -59.5 | 171.3 | 0 | 0 | 0 | 108.2 | L39 M65 G69 I78 L80 Q97 V123 C125 | L39-I67 HydrophobicContact CD2-CG1 4.15Å; M65-I67 VanDerWaalsContact C-N 3.28Å; M65-I67 HydrophobicContact CB-CD1 4.01Å; M65-I67 HydrophobicContact CB-CG1 3.97Å; M65-I67 HydrophobicContact CE-CD1 4.22Å; M65-I67 PolarHBondContact O-N 2.91Å; M65-I67 HydrophobicContact SD-CD1 4.26Å; I67-G69 PolarHBondContact O-N 3.33Å; I67-I78 HydrophobicContact CG2-CD1 4.01Å; I67-L80 HydrophobicContact CD1-CD1 4.27Å; I67-L80 HydrophobicContact CD1-CD2 3.79Å; I67-L80 HydrophobicContact CG2-CD2 4.41Å; I67-Q97 PolarHBondContact O-NE2 3.42Å; I67-Q97 PolarHBondContact O-OE1 3.32Å; I67-V123 HydrophobicContact CD1-CG1 4.16Å; I67-C125 HydrophobicContact CG2-CB 4.33Å |
| 68 | K | 85.1 | Confident | 85.6 | Confident | 69 Ų | 69 | 52 Ų | 52 | 30% | 0.3 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -63.6 | 131.2 | 177.5 | -70.8 | -177.2 | 175.3 | -175.3 | 0 | 110.5 | E35 D36 C37 K38 A40 | E35-K68 HydrophobicContact CB-CD 4.28Å; E35-K68 IonicContact OE1-NZ 3.85Å; E35-K68 IonicContact OE2-NZ 2.66Å; E35-K68 PolarHBondContact OE2-NZ 3.28Å; D36-K68 WeakPolarHBondContact CA-O 3.47Å; C37-K68 PolarHBondContact N-O 3.42Å; K38-K68 WeakPolarHBondContact O-CB 3.38Å; K38-K68 WeakPolarHBondContact O-CG 3.36Å; K38-K68 PolarHBondContact O-N 3.42Å; A40-K68 HydrophobicContact CB-CG 3.99Å |
| 69 | G | 86.1 | Confident | 85.8 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 24% | 0.237 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 120.8 | 159.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D36 I67 T77 Q97 | D36-G69 VanDerWaalsContact OD1-CA 3.29Å; D36-G69 WeakPolarHBondContact OD1-CA 3.26Å; D36-G69 PolarHBondContact OD1-N 2.86Å; I67-G69 PolarHBondContact O-N 3.33Å; G69-T77 WeakPolarHBondContact CA-OG1 3.47Å; G69-Q97 PolarHBondContact O-NE2 3.39Å |
| 70 | T | 85 | Confident | 85.9 | Confident | 79 Ų | 79 | 53 Ų | 53 | 49% | 0.485 | 32% | 0.317 | S | S | . | . | trans | -105.7 | 115.2 | 179.5 | 42.1 | 0 | 0 | 0 | 0 | 110.4 | P76 T77 I78 | T70-P76 CarbonylContact O-C 3.29Å; T70-P76 WeakPolarHBondContact O-CA 3.18Å; T70-T77 PolarHBondContact N-OG1 3.5Å; T70-T77 PolarHBondContact O-N 3.41Å; T70-I78 PolarHBondContact O-N 2.89Å | ||
| 71 | A | 84.2 | Confident | 86 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | trans | -84.8 | -21.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P76 I78 P94 | A71-P76 WeakPolarHBondContact O-CB 3.48Å; A71-I78 WeakPolarHBondContact CA-O 3.41Å; A71-I78 HydrophobicContact CB-CG1 4.05Å; A71-P94 WeakPolarHBondContact CB-O 3.41Å | ||
| 72 | G | 78.6 | Confident | 86 | Confident | 24 Ų | 24 | 51.6 Ų | 51.6 | 25% | 0.247 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -114.4 | 167.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 73 | G | 78.8 | Confident | 86.1 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 99.5 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D75 | G73-D75 PolarHBondContact O-N 2.85Š|
| 74 | P | 79.8 | Confident | 86.3 | Confident | 142 Ų | 142 | 54.6 Ų | 54.6 | 92% | 0.922 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -67.6 | -16.4 | -176.4 | 25.6 | -32.8 | 0 | 0 | 0 | 114 | ||
| 75 | D | 82.1 | Confident | 86.4 | Confident | 140 Ų | 140 | 52.1 Ų | 52.1 | 75% | 0.749 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -137.5 | 70.8 | -176 | -137.3 | 5 | 0 | 0 | 0 | 111.2 | G73 | G73-D75 PolarHBondContact O-N 2.85Š|
| 76 | P | 84.5 | Confident | 86.2 | Confident | 41 Ų | 41 | 57 Ų | 57 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | trans | -72.4 | 129.7 | -175.6 | 29.7 | -33.8 | 0 | 0 | 0 | 111.3 | T70 A71 K128 | T70-P76 CarbonylContact O-C 3.29Å; T70-P76 WeakPolarHBondContact O-CA 3.18Å; A71-P76 WeakPolarHBondContact O-CB 3.48Å; P76-K128 HydrophobicContact CG-CD 4.43Å | ||
| 77 | T | 88.1 | Confident | 86 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 10% | 0.098 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -91.2 | -21.6 | -179.6 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | D36 G69 T70 K128 | D36-T77 WeakPolarHBondContact OD2-CB 3.28Å; D36-T77 PolarHBondContact OD2-OG1 2.74Å; G69-T77 WeakPolarHBondContact CA-OG1 3.47Å; T70-T77 PolarHBondContact N-OG1 3.5Å; T70-T77 PolarHBondContact O-N 3.41Å; T77-K128 PolarHBondContact O-N 2.7Å |
| 78 | I | 89.5 | Confident | 86 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 159.2 | 176.8 | 62.4 | 171.1 | 0 | 0 | 0 | 111.4 | D36 I67 T70 A71 L80 V126 | D36-I78 HydrophobicContact CB-CG2 3.76Å; I67-I78 HydrophobicContact CG2-CD1 4.01Å; T70-I78 PolarHBondContact O-N 2.89Å; A71-I78 WeakPolarHBondContact CA-O 3.41Å; A71-I78 HydrophobicContact CB-CG1 4.05Å; I78-L80 HydrophobicContact CD1-CD2 4.23Å; I78-L80 HydrophobicContact CD1-CG 4.36Å; I78-V126 CarbonylContact C-O 3.53Å; I78-V126 VanDerWaalsContact CA-O 3.27Å; I78-V126 WeakPolarHBondContact CA-O 3.37Å |
| 79 | E | 90.1 | Very high | 86.2 | Confident | 97 Ų | 97 | 63.6 Ų | 63.6 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 128.6 | 170.6 | 178 | 171.6 | 164.3 | 0 | 0 | 109.3 | C125 V126 K128 | E79-C125 CarbonylContact O-C 3.39Å; E79-C125 WeakPolarHBondContact O-CA 3.29Å; E79-V126 HydrophobicContact CB-CB 4.37Å; E79-V126 PolarHBondContact N-O 3.46Å; E79-V126 PolarHBondContact O-N 3.2Å; E79-K128 HydrophobicContact CB-CD 4.49Å; E79-K128 WeakPolarHBondContact OE2-CE 3.32Å; E79-K128 IonicContact OE2-NZ 2.84Å; E79-K128 PolarHBondContact OE2-NZ 2.95Å |
| 80 | L | 91.8 | Very high | 86.4 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.063 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.3 | -178.2 | -60.2 | -178.6 | 0 | 0 | 0 | 110.1 | M65 I67 I78 L92 P94 Q97 V123 Q124 C125 | M65-L80 HydrophobicContact CE-CD1 3.97Å; I67-L80 HydrophobicContact CD1-CD1 4.27Å; I67-L80 HydrophobicContact CD1-CD2 3.79Å; I67-L80 HydrophobicContact CG2-CD2 4.41Å; I78-L80 HydrophobicContact CD1-CD2 4.23Å; I78-L80 HydrophobicContact CD1-CG 4.36Å; L80-L92 HydrophobicContact CB-CD2 4.01Å; L80-P94 HydrophobicContact CB-CB 4.03Å; L80-Q97 HydrophobicContact CD1-CB 4.28Å; L80-Q97 HydrophobicContact CD1-CG 3.76Å; L80-V123 HydrophobicContact CB-CG1 4.4Å; L80-V123 HydrophobicContact CD2-CG1 4.19Å; L80-Q124 WeakPolarHBondContact CA-O 3.25Å; L80-C125 HydrophobicContact CD2-CB 3.52Å; L80-C125 VanDerWaalsContact CD2-SG 3.56Å |
| 81 | S | 91.9 | Very high | 86.7 | Confident | 35 Ų | 35 | 62.9 Ų | 62.9 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 150.4 | 171.7 | 68.6 | 0 | 0 | 0 | 0 | 111.5 | V123 Q124 | S81-V123 WeakPolarHBondContact O-CA 3.13Å; S81-Q124 PolarHBondContact N-O 2.95Å; S81-Q124 PolarHBondContact O-N 2.87Å; S81-Q124 PolarHBondContact OG-OE1 2.79Å |
| 82 | L | 91.1 | Very high | 87.1 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.9 | 173.1 | -89.9 | 159.4 | 0 | 0 | 0 | 110.2 | N85 V90 L92 L99 V121 V123 | L82-N85 HydrophobicContact CB-CB 4.47Å; L82-V90 HydrophobicContact CD1-CB 4.38Å; L82-V90 HydrophobicContact CD1-CG1 4.12Å; L82-V90 HydrophobicContact CD2-CB 4.36Å; L82-V90 HydrophobicContact CD2-CG1 4.11Å; L82-L92 HydrophobicContact CD1-CB 3.28Å; L82-L92 HydrophobicContact CG-CB 3.72Å; L82-L92 HydrophobicContact CG-CD2 4.22Å; L82-L99 HydrophobicContact CD1-CD2 4.45Å; L82-L99 HydrophobicContact CD2-CD2 4.33Å; L82-V121 HydrophobicContact CD2-CB 3.81Å; L82-V121 HydrophobicContact CD2-CG1 4.34Å; L82-V121 HydrophobicContact CD2-CG2 3.78Å; L82-V123 HydrophobicContact CD2-CG2 4.29Å |
| 83 | K | 90.6 | Very high | 87.7 | Confident | 90 Ų | 90 | 64.2 Ų | 64.2 | 39% | 0.391 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 158 | 170.1 | -61.9 | -61.9 | -179.9 | -175 | 0 | 109 | N85 Q122 Q124 | K83-N85 PolarHBondContact O-N 3.48Å; K83-Q122 HydrophobicContact CB-CB 4.18Å; K83-Q122 PolarHBondContact N-O 2.79Å; K83-Q122 PolarHBondContact O-N 2.8Å; K83-Q124 HydrophobicContact CG-CB 3.94Å |
| 84 | D | 89.5 | Confident | 88.2 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 56.2 | 21 | 179.8 | -50.8 | -27.9 | 0 | 0 | 0 | 114.9 | V86 | D84-V86 PolarHBondContact O-N 3.12Š|
| 85 | N | 88.3 | Confident | 88.6 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | trans | -79.7 | 63.8 | 176 | -171 | 28.4 | 0 | 0 | 0 | 110.8 | L82 K83 D87 Y88 W89 V90 V121 | L82-N85 HydrophobicContact CB-CB 4.47Å; K83-N85 PolarHBondContact O-N 3.48Å; N85-D87 PolarHBondContact O-N 2.83Å; N85-Y88 PolarHBondContact O-N 3.36Å; N85-W89 PolarHBondContact OD1-N 2.82Å; N85-V90 PolarHBondContact ND2-O 2.73Å; N85-V90 PolarHBondContact OD1-N 2.84Å; N85-V121 HydrophobicContact CB-CG1 4.02Å | ||
| 86 | V | 80.8 | Confident | 88.9 | Confident | 107 Ų | 107 | 61 Ų | 61 | 65% | 0.648 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -56.6 | 135.2 | 175.2 | -173.2 | 0 | 0 | 0 | 0 | 108.4 | D84 Y88 | D84-V86 PolarHBondContact O-N 3.12Å; V86-Y88 PolarHBondContact O-N 2.65Å |
| 87 | D | 82 | Confident | 89.2 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 52% | 0.524 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | 59.5 | 10.2 | -174.4 | -58.8 | -36.3 | 0 | 0 | 0 | 115.7 | N85 W89 R106 | N85-D87 PolarHBondContact O-N 2.83Å; D87-W89 VanDerWaalsContact C-N 3.29Å; D87-W89 PolarHBondContact O-N 2.96Å; D87-R106 PolarHBondContact O-NH1 3.23Å; D87-R106 PolarHBondContact O-NH2 3.33Å |
| 88 | Y | 88.9 | Confident | 89.4 | Confident | 171 Ų | 171 | 59.9 Ų | 59.9 | 67% | 0.671 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | 57.2 | 34.6 | 173.6 | -53.8 | -81.5 | 0 | 0 | 0 | 115.1 | N85 V86 V90 N102 | N85-Y88 PolarHBondContact O-N 3.36Å; V86-Y88 PolarHBondContact O-N 2.65Å; Y88-V90 PolarHBondContact O-N 2.79Å; Y88-N102 WeakPolarHBondContact O-CB 3.39Å; Y88-N102 PolarHBondContact O-ND2 2.77Å |
| 89 | W | 88.3 | Confident | 89.5 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 6% | 0.064 | 30% | 0.304 | C | S | . | . | trans | -66.2 | -20.7 | 178.1 | -76.7 | 110.1 | 0 | 0 | 0 | 114.2 | N85 D87 L101 N102 R106 L108 I116 I119 | N85-W89 PolarHBondContact OD1-N 2.82Å; D87-W89 VanDerWaalsContact C-N 3.29Å; D87-W89 PolarHBondContact O-N 2.96Å; W89-L101 HydrophobicContact CE3-CD1 4.18Å; W89-N102 PolarHBondContact O-N 2.83Å; W89-R106 HydrophobicContact CH2-CB 3.73Å; W89-R106 HydrophobicContact CZ2-CB 4.46Å; W89-R106 HydrophobicContact CZ3-CB 4.28Å; W89-L108 HydrophobicContact CE3-CD1 4.42Å; W89-L108 HydrophobicContact CH2-CB 4.46Å; W89-L108 HydrophobicContact CH2-CD1 4.44Å; W89-L108 HydrophobicContact CZ3-CB 4.13Å; W89-L108 HydrophobicContact CZ3-CD1 4.31Å; W89-I116 HydrophobicContact CH2-CD1 4.23Å; W89-I116 HydrophobicContact CZ2-CD1 3.34Å; W89-I119 HydrophobicContact CB-CD1 3.78Å; W89-I119 HydrophobicContact CB-CG1 4.33Å; W89-I119 HydrophobicContact CB-CG2 4.06Å; W89-I119 HydrophobicContact CD2-CD1 4.28Å; W89-I119 HydrophobicContact CG-CD1 3.87Å; W89-I119 HydrophobicContact CG-CG1 4.3Å | ||
| 90 | V | 90.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.6 | -176.5 | -173 | 0 | 0 | 0 | 0 | 110.7 | L61 L82 N85 Y88 L99 F100 I119 V121 I140 | L61-V90 HydrophobicContact CD1-CB 4.44Å; L61-V90 HydrophobicContact CD1-CG1 4.02Å; L61-V90 HydrophobicContact CD1-CG2 3.98Å; L82-V90 HydrophobicContact CD1-CB 4.38Å; L82-V90 HydrophobicContact CD1-CG1 4.12Å; L82-V90 HydrophobicContact CD2-CB 4.36Å; L82-V90 HydrophobicContact CD2-CG1 4.11Å; N85-V90 PolarHBondContact ND2-O 2.73Å; N85-V90 PolarHBondContact OD1-N 2.84Å; Y88-V90 PolarHBondContact O-N 2.79Å; V90-L99 HydrophobicContact CG1-CB 3.9Å; V90-L99 HydrophobicContact CG1-CD1 4.21Å; V90-L99 HydrophobicContact CG1-CD2 3.8Å; V90-L99 HydrophobicContact CG1-CG 4.18Å; V90-F100 CarbonylContact C-O 3.56Å; V90-F100 WeakPolarHBondContact CA-O 3.18Å; V90-I119 HydrophobicContact CG2-CG2 4.04Å; V90-V121 HydrophobicContact CB-CG1 4.16Å; V90-V121 HydrophobicContact CG1-CG2 4.42Å; V90-V121 HydrophobicContact CG2-CG1 3.66Å; V90-V121 HydrophobicContact CG2-CG2 4.16Å; V90-I140 HydrophobicContact CG2-CD1 3.54Å |
| 91 | L | 90.9 | Very high | 89.5 | Confident | 85 Ų | 85 | 57 Ų | 57 | 45% | 0.445 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134.7 | 167.4 | -75.7 | 161.5 | 0 | 0 | 0 | 109.3 | L99 F100 N102 | L91-L99 CarbonylContact O-C 3.49Å; L91-L99 VanDerWaalsContact O-CA 3.31Å; L91-L99 WeakPolarHBondContact O-CA 3.39Å; L91-F100 HydrophobicContact CB-CB 4.29Å; L91-F100 PolarHBondContact N-O 2.85Å; L91-F100 PolarHBondContact O-N 3.44Å; L91-N102 HydrophobicContact CD1-CB 3.64Å; L91-N102 HydrophobicContact CG-CB 3.69Å |
| 92 | L | 91.9 | Very high | 89.5 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.1 | 175.7 | 169.2 | 67.3 | 0 | 0 | 0 | 109.4 | M65 L80 L82 P94 L99 | M65-L92 HydrophobicContact CE-CD1 3.5Å; M65-L92 VanDerWaalsContact CE-CD1 3.5Å; L80-L92 HydrophobicContact CB-CD2 4.01Å; L82-L92 HydrophobicContact CD1-CB 3.28Å; L82-L92 HydrophobicContact CG-CB 3.72Å; L82-L92 HydrophobicContact CG-CD2 4.22Å; L92-P94 HydrophobicContact CD2-CB 4.38Å; L92-P94 HydrophobicContact CG-CB 4.3Å; L92-P94 VanDerWaalsContact O-CD 3.27Å; L92-P94 WeakPolarHBondContact O-CD 3.48Å; L92-L99 HydrophobicContact CB-CD2 3.91Å; L92-L99 HydrophobicContact CD1-CD2 3.66Å; L92-L99 HydrophobicContact CG-CD2 4.39Å |
| 93 | D | 92.2 | Very high | 89 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.214 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 101.1 | 156.4 | 179.9 | -17.5 | 0 | 0 | 0 | 107.4 | V95 K96 Q97 M98 F100 | D93-V95 VanDerWaalsContact C-N 3.27Å; D93-V95 PolarHBondContact O-N 3.37Å; D93-V95 PolarHBondContact OD1-N 2.88Å; D93-K96 HydrophobicContact CB-CB 4.48Å; D93-K96 PolarHBondContact OD1-N 3.47Å; D93-K96 VanDerWaalsContact OD1-N 3.12Å; D93-K96 VanDerWaalsContact OD2-CD 3.31Å; D93-K96 WeakPolarHBondContact OD2-CD 3.06Å; D93-K96 WeakPolarHBondContact OD2-CG 3.33Å; D93-Q97 WeakPolarHBondContact O-CA 3.42Å; D93-Q97 PolarHBondContact O-N 3.09Å; D93-M98 HydrophobicContact CB-CB 4.25Å; D93-M98 PolarHBondContact N-O 2.82Å; D93-M98 PolarHBondContact O-N 2.81Å; D93-M98 VanDerWaalsContact O-N 3.1Å; D93-F100 HydrophobicContact CB-CE2 3.87Å |
| 94 | P | 89.3 | Confident | 88.5 | Confident | 50 Ų | 50 | 54.9 Ų | 54.9 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -27.7 | -174.5 | 27.8 | -34.5 | 0 | 0 | 0 | 112.1 | A71 L80 L92 | A71-P94 WeakPolarHBondContact CB-O 3.41Å; L80-P94 HydrophobicContact CB-CB 4.03Å; L92-P94 HydrophobicContact CD2-CB 4.38Å; L92-P94 HydrophobicContact CG-CB 4.3Å; L92-P94 VanDerWaalsContact O-CD 3.27Å; L92-P94 WeakPolarHBondContact O-CD 3.48Å |
| 95 | V | 88.2 | Confident | 87.9 | Confident | 94 Ų | 94 | 54.4 Ų | 54.4 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -44.4 | -177.2 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | D93 Q97 | D93-V95 VanDerWaalsContact C-N 3.27Å; D93-V95 PolarHBondContact O-N 3.37Å; D93-V95 PolarHBondContact OD1-N 2.88Å; V95-Q97 VanDerWaalsContact C-N 3.34Å |
| 96 | K | 88.6 | Confident | 87.7 | Confident | 130 Ų | 130 | 57.4 Ų | 57.4 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -8.3 | 177.5 | -62.8 | -174.8 | -172.3 | 168 | 0 | 113.7 | D93 M98 | D93-K96 HydrophobicContact CB-CB 4.48Å; D93-K96 PolarHBondContact OD1-N 3.47Å; D93-K96 VanDerWaalsContact OD1-N 3.12Å; D93-K96 VanDerWaalsContact OD2-CD 3.31Å; D93-K96 WeakPolarHBondContact OD2-CD 3.06Å; D93-K96 WeakPolarHBondContact OD2-CG 3.33Å; K96-M98 HydrophobicContact CB-CB 4.35Å; K96-M98 HydrophobicContact CB-CG 3.85Å; K96-M98 HydrophobicContact CB-SD 3.96Å; K96-M98 HydrophobicContact CD-SD 3.84Å; K96-M98 PolarHBondContact O-N 3.3Å |
| 97 | Q | 89.8 | Confident | 87.8 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 39.6 | -171.8 | -47.1 | -171.2 | 4.4 | 0 | 0 | 112.2 | M65 I67 G69 L80 D93 V95 | M65-Q97 HydrophobicContact CB-CB 4.28Å; M65-Q97 HydrophobicContact CE-CB 3.87Å; M65-Q97 WeakPolarHBondContact CG-O 3.38Å; M65-Q97 PolarHBondContact N-O 2.78Å; I67-Q97 PolarHBondContact O-NE2 3.42Å; I67-Q97 PolarHBondContact O-OE1 3.32Å; G69-Q97 PolarHBondContact O-NE2 3.39Å; L80-Q97 HydrophobicContact CD1-CB 4.28Å; L80-Q97 HydrophobicContact CD1-CG 3.76Å; D93-Q97 WeakPolarHBondContact O-CA 3.42Å; D93-Q97 PolarHBondContact O-N 3.09Å; V95-Q97 VanDerWaalsContact C-N 3.34Å |
| 98 | M | 92 | Very high | 88 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 144.6 | -179.7 | -73.9 | 178.2 | 79.5 | 0 | 0 | 111.4 | I60 V62 D63 D93 K96 F100 | I60-M98 HydrophobicContact CB-CE 4.48Å; I60-M98 HydrophobicContact CD1-CE 3.71Å; I60-M98 HydrophobicContact CG1-CE 3.83Å; I60-M98 HydrophobicContact CG2-CE 3.82Å; V62-M98 CarbonylContact O-C 3.33Å; V62-M98 VanDerWaalsContact O-CA 3.25Å; V62-M98 WeakPolarHBondContact O-CA 3.49Å; D63-M98 WeakPolarHBondContact O-CG 3.15Å; D63-M98 WeakPolarHBondContact OD1-CE 3.38Å; D93-M98 HydrophobicContact CB-CB 4.25Å; D93-M98 PolarHBondContact N-O 2.82Å; D93-M98 PolarHBondContact O-N 2.81Å; D93-M98 VanDerWaalsContact O-N 3.1Å; K96-M98 HydrophobicContact CB-CB 4.35Å; K96-M98 HydrophobicContact CB-CG 3.85Å; K96-M98 HydrophobicContact CB-SD 3.96Å; K96-M98 HydrophobicContact CD-SD 3.84Å; K96-M98 PolarHBondContact O-N 3.3Å; M98-F100 HydrophobicContact CB-CD2 4.47Å; M98-F100 HydrophobicContact CB-CE2 3.68Å; M98-F100 HydrophobicContact CB-CZ 3.9Å; M98-F100 HydrophobicContact CE-CE1 3.71Å; M98-F100 HydrophobicContact CE-CE2 4.46Å; M98-F100 HydrophobicContact CE-CZ 3.51Å; M98-F100 HydrophobicContact CG-CZ 4.49Å; M98-F100 HydrophobicContact SD-CZ 3.85Å |
| 99 | L | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 133.8 | 169.3 | -61.3 | -179.8 | 0 | 0 | 0 | 109.8 | L61 V62 M65 L82 V90 L91 L92 V123 V138 | L61-L99 HydrophobicContact CB-CB 4.07Å; L61-L99 WeakPolarHBondContact CB-O 3.39Å; L61-L99 PolarHBondContact N-O 2.87Å; V62-L99 HydrophobicContact CB-CB 4.05Å; V62-L99 HydrophobicContact CB-CD1 4.36Å; V62-L99 HydrophobicContact CB-CG 4.28Å; V62-L99 HydrophobicContact CG2-CB 4.27Å; V62-L99 HydrophobicContact CG2-CD1 3.99Å; V62-L99 HydrophobicContact CG2-CG 4.42Å; V62-L99 PolarHBondContact N-O 3.2Å; V62-L99 VanDerWaalsContact N-O 3.15Å; V62-L99 PolarHBondContact O-N 3.33Å; M65-L99 HydrophobicContact SD-CD1 4.19Å; M65-L99 HydrophobicContact SD-CD2 4.4Å; M65-L99 HydrophobicContact SD-CG 4.15Å; L82-L99 HydrophobicContact CD1-CD2 4.45Å; L82-L99 HydrophobicContact CD2-CD2 4.33Å; V90-L99 HydrophobicContact CG1-CB 3.9Å; V90-L99 HydrophobicContact CG1-CD1 4.21Å; V90-L99 HydrophobicContact CG1-CD2 3.8Å; V90-L99 HydrophobicContact CG1-CG 4.18Å; L91-L99 CarbonylContact O-C 3.49Å; L91-L99 VanDerWaalsContact O-CA 3.31Å; L91-L99 WeakPolarHBondContact O-CA 3.39Å; L92-L99 HydrophobicContact CB-CD2 3.91Å; L92-L99 HydrophobicContact CD1-CD2 3.66Å; L92-L99 HydrophobicContact CG-CD2 4.39Å; L99-V123 HydrophobicContact CD1-CG2 4.39Å; L99-V123 HydrophobicContact CD2-CG2 4.37Å; L99-V138 HydrophobicContact CD1-CB 4.14Å; L99-V138 HydrophobicContact CD1-CG1 3.91Å; L99-V138 HydrophobicContact CD1-CG2 3.88Å |
| 100 | F | 91.7 | Very high | 88 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146.9 | 176.8 | -56.7 | -90.4 | 0 | 0 | 0 | 110.5 | T59 I60 L61 V90 L91 D93 M98 | T59-F100 CarbonylContact O-C 3.54Å; T59-F100 WeakPolarHBondContact O-CA 3.24Å; I60-F100 HydrophobicContact CG1-CD1 3.96Å; I60-F100 HydrophobicContact CG1-CE1 3.72Å; L61-F100 VanDerWaalsContact CD1-C 3.49Å; V90-F100 CarbonylContact C-O 3.56Å; V90-F100 WeakPolarHBondContact CA-O 3.18Å; L91-F100 HydrophobicContact CB-CB 4.29Å; L91-F100 PolarHBondContact N-O 2.85Å; L91-F100 PolarHBondContact O-N 3.44Å; D93-F100 HydrophobicContact CB-CE2 3.87Å; M98-F100 HydrophobicContact CB-CD2 4.47Å; M98-F100 HydrophobicContact CB-CE2 3.68Å; M98-F100 HydrophobicContact CB-CZ 3.9Å; M98-F100 HydrophobicContact CE-CE1 3.71Å; M98-F100 HydrophobicContact CE-CE2 4.46Å; M98-F100 HydrophobicContact CE-CZ 3.51Å; M98-F100 HydrophobicContact CG-CZ 4.49Å; M98-F100 HydrophobicContact SD-CZ 3.85Å |
| 101 | L | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 133.2 | 168.9 | -178.6 | 69.6 | 0 | 0 | 0 | 109.3 | I51 S55 N57 G58 T59 L61 W89 L108 | I51-L101 HydrophobicContact CD1-CB 4.03Å; I51-L101 HydrophobicContact CD1-CD1 4.44Å; I51-L101 HydrophobicContact CD1-CD2 3.72Å; I51-L101 HydrophobicContact CD1-CG 4.27Å; S55-L101 VanDerWaalsContact O-CD2 3.26Å; S55-L101 WeakPolarHBondContact O-CD2 3.1Å; N57-L101 PolarHBondContact OD1-O 3.22Å; G58-L101 WeakPolarHBondContact CA-O 3.45Å; G58-L101 PolarHBondContact N-O 2.8Å; T59-L101 PolarHBondContact O-N 3.3Å; L61-L101 HydrophobicContact CD1-CB 4.32Å; L61-L101 HydrophobicContact CD2-CB 4.3Å; L61-L101 HydrophobicContact CG-CB 4.21Å; W89-L101 HydrophobicContact CE3-CD1 4.18Å; L101-L108 HydrophobicContact CD1-CD2 4.15Å; L101-L108 HydrophobicContact CD2-CD2 4.38Å |
| 102 | N | 90.5 | Very high | 87.3 | Confident | 20 Ų | 20 | 47.7 Ų | 47.7 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | trans | -116 | 88.7 | 174.8 | -176.3 | 23.7 | 0 | 0 | 0 | 111 | N57 Y88 W89 L91 T104 R106 | N57-N102 VanDerWaalsContact OD1-CA 3.3Å; N57-N102 WeakPolarHBondContact OD1-CA 3.18Å; Y88-N102 WeakPolarHBondContact O-CB 3.39Å; Y88-N102 PolarHBondContact O-ND2 2.77Å; W89-N102 PolarHBondContact O-N 2.83Å; L91-N102 HydrophobicContact CD1-CB 3.64Å; L91-N102 HydrophobicContact CG-CB 3.69Å; N102-T104 PolarHBondContact OD1-OG1 3.35Å; N102-R106 PolarHBondContact O-NH2 3.15Å | ||
| 103 | S | 81.3 | Confident | 86.5 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | trans | -103.5 | 30.5 | 179.7 | 72.8 | 0 | 0 | 0 | 0 | 111.9 | N57 G105 R106 | N57-S103 WeakPolarHBondContact CA-OG 3.13Å; N57-S103 VanDerWaalsContact CB-OG 3.29Å; N57-S103 WeakPolarHBondContact CB-OG 3.12Å; N57-S103 PolarHBondContact N-OG 2.94Å; N57-S103 VanDerWaalsContact N-OG 3.12Å; N57-S103 PolarHBondContact OD1-N 2.91Å; S103-G105 PolarHBondContact O-N 3.23Å; S103-R106 VanDerWaalsContact CB-O 3.28Å; S103-R106 WeakPolarHBondContact CB-O 3.07Å; S103-R106 PolarHBondContact O-N 3.1Å | ||
| 104 | T | 79.6 | Confident | 85.6 | Confident | 85 Ų | 85 | 58.3 Ų | 58.3 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 102 | -179.9 | 34.4 | 0 | 0 | 0 | 0 | 111.8 | N57 N102 R106 | N57-T104 WeakPolarHBondContact ND2-CG2 3.21Å; N102-T104 PolarHBondContact OD1-OG1 3.35Å; T104-R106 VanDerWaalsContact C-N 3.33Å; T104-R106 PolarHBondContact O-N 2.9Å |
| 105 | G | 78.2 | Confident | 85.2 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 92% | 0.918 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 8.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115.8 | S103 | S103-G105 PolarHBondContact O-N 3.23Š|
| 106 | R | 84.3 | Confident | 85.1 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 33% | 0.328 | 32% | 0.319 | S | S | . | . | trans | -133.4 | 145.3 | -177.6 | -60.9 | 174.4 | -63.7 | 177.6 | 5.3 | 109.8 | D87 W89 N102 S103 T104 | D87-R106 PolarHBondContact O-NH1 3.23Å; D87-R106 PolarHBondContact O-NH2 3.33Å; W89-R106 HydrophobicContact CH2-CB 3.73Å; W89-R106 HydrophobicContact CZ2-CB 4.46Å; W89-R106 HydrophobicContact CZ3-CB 4.28Å; N102-R106 PolarHBondContact O-NH2 3.15Å; S103-R106 VanDerWaalsContact CB-O 3.28Å; S103-R106 WeakPolarHBondContact CB-O 3.07Å; S103-R106 PolarHBondContact O-N 3.1Å; T104-R106 VanDerWaalsContact C-N 3.33Å; T104-R106 PolarHBondContact O-N 2.9Å | ||
| 107 | V | 82.1 | Confident | 84.9 | Confident | 89 Ų | 89 | 54.9 Ų | 54.9 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | trans | -95.9 | 132.9 | 173.4 | -175.4 | 0 | 0 | 0 | 0 | 107.4 | E54 D109 | E54-V107 HydrophobicContact CB-CG1 4.4Å; E54-V107 HydrophobicContact CG-CG1 3.96Å; V107-D109 PolarHBondContact O-N 2.9Å | ||
| 108 | L | 87 | Confident | 84.8 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | trans | -78.6 | 103.3 | 169.4 | 179.7 | 66.8 | 0 | 0 | 0 | 105.8 | I51 E53 E54 W89 L101 I116 I119 V142 | I51-L108 HydrophobicContact CG2-CD2 3.74Å; E53-L108 CarbonylContact C-O 3.58Å; E53-L108 WeakPolarHBondContact CA-O 3.35Å; E53-L108 WeakPolarHBondContact CB-O 3.42Å; E54-L108 PolarHBondContact N-O 3.02Å; W89-L108 HydrophobicContact CE3-CD1 4.42Å; W89-L108 HydrophobicContact CH2-CB 4.46Å; W89-L108 HydrophobicContact CH2-CD1 4.44Å; W89-L108 HydrophobicContact CZ3-CB 4.13Å; W89-L108 HydrophobicContact CZ3-CD1 4.31Å; L101-L108 HydrophobicContact CD1-CD2 4.15Å; L101-L108 HydrophobicContact CD2-CD2 4.38Å; L108-I116 HydrophobicContact CD1-CB 4.12Å; L108-I116 HydrophobicContact CD1-CD1 4.2Å; L108-I116 HydrophobicContact CD1-CG2 3.98Å; L108-I119 HydrophobicContact CD1-CD1 3.77Å; L108-V142 HydrophobicContact CD1-CG2 3.98Å; L108-V142 HydrophobicContact CD2-CG1 4.18Å; L108-V142 HydrophobicContact CD2-CG2 3.97Å; L108-V142 HydrophobicContact CG-CG1 4.15Å; L108-V142 HydrophobicContact CG-CG2 4.12Å | ||
| 109 | D | 87.6 | Confident | 84.7 | Confident | 56 Ų | 56 | 56 Ų | 56 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | trans | -118.7 | 129.2 | -171.9 | -175.4 | 0.2 | 0 | 0 | 0 | 108.5 | V107 D111 I116 | V107-D109 PolarHBondContact O-N 2.9Å; D109-D111 PolarHBondContact OD1-N 2.97Å; D109-I116 PolarHBondContact O-N 3.31Å | ||
| 110 | R | 88.6 | Confident | 84.5 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 21% | 0.208 | 34% | 0.339 | C | S | . | . | trans | -92.1 | -14.7 | 179.7 | -163.5 | -177.8 | 170.5 | -175.4 | -8.2 | 111.1 | E53 N115 V142 D186 | E53-R110 HydrophobicContact CB-CB 4.31Å; E53-R110 WeakPolarHBondContact OE2-CA 3.29Å; E53-R110 WeakPolarHBondContact OE2-CB 3.42Å; E53-R110 PolarHBondContact OE2-N 3.06Å; R110-N115 WeakPolarHBondContact O-CB 3.36Å; R110-V142 HydrophobicContact CB-CG1 4.06Å; R110-V142 WeakPolarHBondContact CD-O 3.44Å; R110-V142 HydrophobicContact CG-CG1 4.39Å; R110-V142 PolarHBondContact NH1-O 3.16Å; R110-D186 IonicContact CZ-OD2 3.39Å; R110-D186 VanDerWaalsContact CZ-OD2 3.26Å; R110-D186 IonicContact NE-OD2 2.79Å; R110-D186 PolarHBondContact NE-OD2 2.78Å; R110-D186 IonicContact NH2-OD2 3.26Å; R110-D186 PolarHBondContact NH2-OD2 2.92Å | ||
| 111 | D | 87.8 | Confident | 84.5 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -90.6 | 149 | -173 | -61 | -42.6 | 0 | 0 | 0 | 113.1 | D109 N148 I184 | D109-D111 PolarHBondContact OD1-N 2.97Å; D111-N148 PolarHBondContact OD2-ND2 2.98Å; D111-I184 HydrophobicContact CB-CD1 4.06Å; D111-I184 HydrophobicContact CB-CG1 4.27Å |
| 112 | P | 80.2 | Confident | 84.5 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 47% | 0.468 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 151.8 | 176 | -15.5 | 28 | 0 | 0 | 0 | 111.6 | ||
| 113 | P | 74.3 | Confident | 84.5 | Confident | 134 Ų | 134 | 58.1 Ų | 58.1 | 87% | 0.87 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -94.4 | -9.9 | 14.8 | 34.2 | -35.3 | 0 | 0 | 0 | 115.1 | ||
| 114 | M | 73.6 | Confident | 85 | Confident | 163 Ų | 163 | 58.9 Ų | 58.9 | 80% | 0.803 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -114.7 | 54.5 | -175.3 | -147.2 | -168.6 | -61.7 | 0 | 0 | 110.9 | ||
| 115 | N | 81.5 | Confident | 85.6 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | trans | -79 | 138.5 | -170.7 | 52.9 | -8.7 | 0 | 0 | 0 | 115 | R110 H117 | R110-N115 WeakPolarHBondContact O-CB 3.36Å; N115-H117 PolarHBondContact ND2-CE1 2.88Å; N115-H117 PolarHBondContact ND2-NE2 3.14Å; N115-H117 VanDerWaalsContact ND2-NE2 3.13Å | ||
| 116 | I | 84.3 | Confident | 86.2 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 20% | 0.2 | 28% | 0.281 | C | S | . | . | trans | -119.3 | 99.2 | 173.2 | -56.6 | 177.4 | 0 | 0 | 0 | 109.6 | W89 L108 D109 I119 V142 | W89-I116 HydrophobicContact CH2-CD1 4.23Å; W89-I116 HydrophobicContact CZ2-CD1 3.34Å; L108-I116 HydrophobicContact CD1-CB 4.12Å; L108-I116 HydrophobicContact CD1-CD1 4.2Å; L108-I116 HydrophobicContact CD1-CG2 3.98Å; D109-I116 PolarHBondContact O-N 3.31Å; I116-I119 HydrophobicContact CG2-CD1 4.37Å; I116-I119 HydrophobicContact CG2-CG1 3.82Å; I116-V142 HydrophobicContact CG2-CG2 4.42Å; I116-V142 VanDerWaalsContact O-CB 3.32Å; I116-V142 WeakPolarHBondContact O-CB 3.43Å; I116-V142 WeakPolarHBondContact O-CG2 3.33Å | ||
| 117 | H | 85 | Confident | 86.5 | Confident | 94 Ų | 94 | 48.3 Ų | 48.3 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | trans | -78.7 | -33.9 | 178.3 | -59.7 | 150.5 | 0 | 0 | 0 | 113.9 | N115 V142 | N115-H117 PolarHBondContact ND2-CE1 2.88Å; N115-H117 PolarHBondContact ND2-NE2 3.14Å; N115-H117 VanDerWaalsContact ND2-NE2 3.13Å; H117-V142 PolarHBondContact O-N 2.78Å | ||
| 118 | S | 88.4 | Confident | 86.6 | Confident | 43 Ų | 43 | 49 Ų | 49 | 30% | 0.301 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 142.5 | 177.9 | 68.3 | 0 | 0 | 0 | 0 | 112.5 | I140 | S118-I140 CarbonylContact C-O 3.58Å; S118-I140 WeakPolarHBondContact CA-O 3.27Å; S118-I140 WeakPolarHBondContact CB-O 3.37Å |
| 119 | I | 88.5 | Confident | 86.5 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.9 | 173.1 | -60.2 | 154.7 | 0 | 0 | 0 | 107.5 | W89 V90 L108 I116 V121 I140 | W89-I119 HydrophobicContact CB-CD1 3.78Å; W89-I119 HydrophobicContact CB-CG1 4.33Å; W89-I119 HydrophobicContact CB-CG2 4.06Å; W89-I119 HydrophobicContact CD2-CD1 4.28Å; W89-I119 HydrophobicContact CG-CD1 3.87Å; W89-I119 HydrophobicContact CG-CG1 4.3Å; V90-I119 HydrophobicContact CG2-CG2 4.04Å; L108-I119 HydrophobicContact CD1-CD1 3.77Å; I116-I119 HydrophobicContact CG2-CD1 4.37Å; I116-I119 HydrophobicContact CG2-CG1 3.82Å; I119-V121 HydrophobicContact CG2-CG1 4.13Å; I119-I140 HydrophobicContact CB-CB 4.19Å; I119-I140 HydrophobicContact CB-CD1 4.13Å; I119-I140 HydrophobicContact CG2-CD1 4.06Å; I119-I140 PolarHBondContact N-O 2.69Å; I119-I140 PolarHBondContact O-N 2.88Å |
| 120 | V | 89.7 | Confident | 86.2 | Confident | 59 Ų | 59 | 53 Ų | 53 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | E137 V138 R139 | V120-E137 HydrophobicContact CG1-CG 3.83Å; V120-V138 WeakPolarHBondContact CA-O 3.45Å; V120-R139 HydrophobicContact CG2-CB 4.45Å; V120-R139 HydrophobicContact CG2-CG 4.03Å |
| 121 | V | 91.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 152.5 | 175.5 | -60.9 | 0 | 0 | 0 | 0 | 110.3 | L82 N85 V90 I119 V138 | L82-V121 HydrophobicContact CD2-CB 3.81Å; L82-V121 HydrophobicContact CD2-CG1 4.34Å; L82-V121 HydrophobicContact CD2-CG2 3.78Å; N85-V121 HydrophobicContact CB-CG1 4.02Å; V90-V121 HydrophobicContact CB-CG1 4.16Å; V90-V121 HydrophobicContact CG1-CG2 4.42Å; V90-V121 HydrophobicContact CG2-CG1 3.66Å; V90-V121 HydrophobicContact CG2-CG2 4.16Å; I119-V121 HydrophobicContact CG2-CG1 4.13Å; V121-V138 HydrophobicContact CG2-CB 3.93Å; V121-V138 PolarHBondContact N-O 3.21Å; V121-V138 PolarHBondContact O-N 2.78Å |
| 122 | Q | 90.7 | Very high | 85.9 | Confident | 53 Ų | 53 | 55.7 Ų | 55.7 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.3 | 172.9 | -69.1 | -166.9 | -3.5 | 0 | 0 | 110.4 | K83 H136 | K83-Q122 HydrophobicContact CB-CB 4.18Å; K83-Q122 PolarHBondContact N-O 2.79Å; K83-Q122 PolarHBondContact O-N 2.8Å; Q122-H136 CarbonylContact C-O 3.58Å; Q122-H136 WeakPolarHBondContact CA-O 3.04Å |
| 123 | V | 90.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 106.6 | 170.9 | 180 | 0 | 0 | 0 | 0 | 107.9 | M65 I67 L80 S81 L82 L99 C125 H136 V138 | M65-V123 HydrophobicContact CE-CG1 3.95Å; M65-V123 HydrophobicContact CE-CG2 4.43Å; M65-V123 HydrophobicContact SD-CB 4.08Å; M65-V123 HydrophobicContact SD-CG1 3.94Å; M65-V123 HydrophobicContact SD-CG2 3.64Å; I67-V123 HydrophobicContact CD1-CG1 4.16Å; L80-V123 HydrophobicContact CB-CG1 4.4Å; L80-V123 HydrophobicContact CD2-CG1 4.19Å; S81-V123 WeakPolarHBondContact O-CA 3.13Å; L82-V123 HydrophobicContact CD2-CG2 4.29Å; L99-V123 HydrophobicContact CD1-CG2 4.39Å; L99-V123 HydrophobicContact CD2-CG2 4.37Å; V123-C125 PolarHBondContact O-N 3.33Å; V123-H136 HydrophobicContact CB-CB 4.4Å; V123-H136 PolarHBondContact N-O 2.83Å; V123-H136 PolarHBondContact O-N 2.98Å; V123-V138 HydrophobicContact CG2-CG2 4.29Å |
| 124 | Q | 92.5 | Very high | 86.9 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 116.8 | 174.1 | -179.8 | -178.5 | 53.6 | 0 | 0 | 108.6 | L80 S81 K83 V126 V133 Y135 | L80-Q124 WeakPolarHBondContact CA-O 3.25Å; S81-Q124 PolarHBondContact N-O 2.95Å; S81-Q124 PolarHBondContact O-N 2.87Å; S81-Q124 PolarHBondContact OG-OE1 2.79Å; K83-Q124 HydrophobicContact CG-CB 3.94Å; Q124-V126 HydrophobicContact CG-CG2 4.31Å; Q124-V133 HydrophobicContact CG-CG1 3.56Å; Q124-Y135 HydrophobicContact CB-CD1 3.89Å; Q124-Y135 HydrophobicContact CB-CE1 3.78Å; Q124-Y135 HydrophobicContact CG-CD1 4.1Å; Q124-Y135 HydrophobicContact CG-CE1 3.62Å; Q124-Y135 PolarHBondContact NE2-OH 2.91Å |
| 125 | C | 91.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.1 | 170.3 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | C37 I67 E79 L80 V123 V133 I134 | C37-C125 WeakPolarHBondContact CA-SG 3.38Å; C37-C125 HydrophobicContact CB-CB 3.64Å; C37-C125 WeakPolarHBondContact CB-SG 3.38Å; C37-C125 WeakPolarHBondContact SG-CB 3.31Å; C37-C125 PolarHBondContact SG-O 3.05Å; C37-C125 VanDerWaalsContact SG-O 3.39Å; C37-C125 CovalentContact SG-SG 2.04Å; C37-C125 PolarHBondContact SG-SG 3.22Å; I67-C125 HydrophobicContact CG2-CB 4.33Å; E79-C125 CarbonylContact O-C 3.39Å; E79-C125 WeakPolarHBondContact O-CA 3.29Å; L80-C125 HydrophobicContact CD2-CB 3.52Å; L80-C125 VanDerWaalsContact CD2-SG 3.56Å; V123-C125 PolarHBondContact O-N 3.33Å; C125-V133 CarbonylContact O-C 3.58Å; C125-V133 WeakPolarHBondContact O-CA 3.27Å; C125-I134 PolarHBondContact N-O 3.27Å; C125-I134 PolarHBondContact O-N 2.76Å |
| 126 | V | 91.4 | Very high | 87.9 | Confident | 38 Ų | 38 | 47 Ų | 47 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118.9 | 173.2 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | C37 I78 E79 Q124 K128 V133 | C37-V126 VanDerWaalsContact SG-C 3.5Å; I78-V126 CarbonylContact C-O 3.53Å; I78-V126 VanDerWaalsContact CA-O 3.27Å; I78-V126 WeakPolarHBondContact CA-O 3.37Å; E79-V126 HydrophobicContact CB-CB 4.37Å; E79-V126 PolarHBondContact N-O 3.46Å; E79-V126 PolarHBondContact O-N 3.2Å; Q124-V126 HydrophobicContact CG-CG2 4.31Å; V126-K128 PolarHBondContact O-N 3.27Å; V126-V133 HydrophobicContact CG1-CG2 4.34Å; V126-V133 HydrophobicContact CG2-CG1 4.37Å; V126-V133 HydrophobicContact CG2-CG2 4.09Å |
| 127 | N | 89.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 114 | 172 | 178.4 | -28.8 | 0 | 0 | 0 | 108.2 | Q33 D36 C37 K129 V130 G131 T132 | Q33-N127 PolarHBondContact O-ND2 3.1Å; D36-N127 HydrophobicContact CB-CB 4.49Å; D36-N127 VanDerWaalsContact CB-ND2 3.32Å; D36-N127 WeakPolarHBondContact CB-ND2 3.29Å; D36-N127 PolarHBondContact O-ND2 2.78Å; C37-N127 PolarHBondContact SG-N 2.98Å; C37-N127 VanDerWaalsContact SG-N 3.36Å; N127-K129 VanDerWaalsContact C-N 3.28Å; N127-K129 PolarHBondContact O-N 3.09Å; N127-K129 WeakPolarHBondContact OD1-CB 3.27Å; N127-K129 PolarHBondContact OD1-N 2.73Å; N127-V130 PolarHBondContact OD1-N 2.84Å; N127-V130 VanDerWaalsContact OD1-N 3.16Å; N127-G131 WeakPolarHBondContact O-CA 3.44Å; N127-G131 PolarHBondContact O-N 3.28Å; N127-T132 WeakPolarHBondContact CB-OG1 3.41Å; N127-T132 PolarHBondContact N-O 2.73Å |
| 128 | K | 86 | Confident | 88.4 | Confident | 104 Ų | 104 | 44.4 Ų | 44.4 | 45% | 0.452 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -20.5 | -175.8 | -76 | -172.2 | 155.8 | 161.8 | 0 | 113.9 | P76 T77 E79 V126 | P76-K128 HydrophobicContact CG-CD 4.43Å; T77-K128 PolarHBondContact O-N 2.7Å; E79-K128 HydrophobicContact CB-CD 4.49Å; E79-K128 WeakPolarHBondContact OE2-CE 3.32Å; E79-K128 IonicContact OE2-NZ 2.84Å; E79-K128 PolarHBondContact OE2-NZ 2.95Å; V126-K128 PolarHBondContact O-N 3.27Å |
| 129 | K | 82.9 | Confident | 88.5 | Confident | 87 Ų | 87 | 47.9 Ų | 47.9 | 38% | 0.378 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -41.7 | -179.5 | -67.3 | -178.9 | 173.6 | 169.2 | 0 | 112.1 | W32 Q33 N127 | W32-K129 VanDerWaalsContact CH2-NZ 3.32Å; Q33-K129 HydrophobicContact CB-CD 4.42Å; Q33-K129 HydrophobicContact CG-CD 4.28Å; N127-K129 VanDerWaalsContact C-N 3.28Å; N127-K129 PolarHBondContact O-N 3.09Å; N127-K129 WeakPolarHBondContact OD1-CB 3.27Å; N127-K129 PolarHBondContact OD1-N 2.73Å |
| 130 | V | 83.2 | Confident | 88.6 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 32% | 0.321 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -18.9 | -173.4 | -166.6 | 0 | 0 | 0 | 0 | 112.2 | Q33 Y34 N127 T132 | Q33-V130 WeakPolarHBondContact O-CG2 3.36Å; Y34-V130 HydrophobicContact CD1-CG1 4.07Å; Y34-V130 HydrophobicContact CD1-CG2 4.3Å; Y34-V130 HydrophobicContact CE1-CG1 3.76Å; Y34-V130 HydrophobicContact CE1-CG2 4.43Å; N127-V130 PolarHBondContact OD1-N 2.84Å; N127-V130 VanDerWaalsContact OD1-N 3.16Å; V130-T132 VanDerWaalsContact C-N 3.3Å; V130-T132 HydrophobicContact CB-CG2 4.4Å; V130-T132 HydrophobicContact CG1-CG2 4Å |
| 131 | G | 81.3 | Confident | 88.6 | Confident | 53 Ų | 53 | 47 Ų | 47 | 55% | 0.546 | 24% | 0.241 | S | C | . | . | trans | 78.8 | 8.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N127 | N127-G131 WeakPolarHBondContact O-CA 3.44Å; N127-G131 PolarHBondContact O-N 3.28Å | ||
| 132 | T | 87.2 | Confident | 88.5 | Confident | 63 Ų | 63 | 46.9 Ų | 46.9 | 39% | 0.387 | 24% | 0.241 | S | C | . | . | trans | -73.5 | 146.9 | 176.9 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | N127 V130 | N127-T132 WeakPolarHBondContact CB-OG1 3.41Å; N127-T132 PolarHBondContact N-O 2.73Å; V130-T132 VanDerWaalsContact C-N 3.3Å; V130-T132 HydrophobicContact CB-CG2 4.4Å; V130-T132 HydrophobicContact CG1-CG2 4Å | ||
| 133 | V | 87.8 | Confident | 88.4 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 39% | 0.394 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.5 | 179.5 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | Q124 C125 V126 Y135 | Q124-V133 HydrophobicContact CG-CG1 3.56Å; C125-V133 CarbonylContact O-C 3.58Å; C125-V133 WeakPolarHBondContact O-CA 3.27Å; V126-V133 HydrophobicContact CG1-CG2 4.34Å; V126-V133 HydrophobicContact CG2-CG1 4.37Å; V126-V133 HydrophobicContact CG2-CG2 4.09Å; V133-Y135 HydrophobicContact CG1-CE1 4.47Å; V133-Y135 HydrophobicContact CG1-CE2 4.02Å |
| 134 | I | 87.7 | Confident | 88.3 | Confident | 53 Ų | 53 | 51.4 Ų | 51.4 | 27% | 0.272 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.8 | 177 | -58.5 | -179.3 | 0 | 0 | 0 | 108.6 | C37 K38 C125 | C37-I134 HydrophobicContact CB-CB 4.12Å; C37-I134 HydrophobicContact CB-CD1 3.82Å; C37-I134 HydrophobicContact CB-CG1 4.09Å; K38-I134 HydrophobicContact CG-CD1 4.19Å; C125-I134 PolarHBondContact N-O 3.27Å; C125-I134 PolarHBondContact O-N 2.76Å |
| 135 | Y | 88.9 | Confident | 88 | Confident | 123 Ų | 123 | 55.7 Ų | 55.7 | 48% | 0.482 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.7 | 176.6 | -61.7 | -85.1 | 0 | 0 | 0 | 110 | Q124 V133 | Q124-Y135 HydrophobicContact CB-CD1 3.89Å; Q124-Y135 HydrophobicContact CB-CE1 3.78Å; Q124-Y135 HydrophobicContact CG-CD1 4.1Å; Q124-Y135 HydrophobicContact CG-CE1 3.62Å; Q124-Y135 PolarHBondContact NE2-OH 2.91Å; V133-Y135 HydrophobicContact CG1-CE1 4.47Å; V133-Y135 HydrophobicContact CG1-CE2 4.02Å |
| 136 | H | 88.4 | Confident | 88 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 6% | 0.06 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.7 | 174.7 | -63.4 | -70.4 | 0 | 0 | 0 | 109.4 | C37 Q122 V123 | C37-H136 PolarHBondContact O-CE1 3.48Å; C37-H136 VanDerWaalsContact O-CE1 3.31Å; C37-H136 PolarHBondContact O-NE2 3.31Å; Q122-H136 CarbonylContact C-O 3.58Å; Q122-H136 WeakPolarHBondContact CA-O 3.04Å; V123-H136 HydrophobicContact CB-CB 4.4Å; V123-H136 PolarHBondContact N-O 2.83Å; V123-H136 PolarHBondContact O-N 2.98Å |
| 137 | E | 90.2 | Very high | 87.8 | Confident | 78 Ų | 78 | 56.4 Ų | 56.4 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 133.9 | 176.8 | -170.8 | 178.2 | 102 | 0 | 0 | 110.5 | A46 T47 V120 | A46-E137 CarbonylContact C-O 3.55Å; A46-E137 WeakPolarHBondContact CA-O 3.47Å; A46-E137 HydrophobicContact CB-CB 4.16Å; T47-E137 PolarHBondContact N-O 2.96Å; V120-E137 HydrophobicContact CG1-CG 3.83Å |
| 138 | V | 89.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 117.6 | 171.6 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | T47 V49 V62 L99 V120 V121 V123 I140 | T47-V138 CarbonylContact O-C 3.6Å; T47-V138 WeakPolarHBondContact O-CA 3.1Å; V49-V138 HydrophobicContact CG2-CG1 3.93Å; V62-V138 HydrophobicContact CG2-CG1 4.07Å; L99-V138 HydrophobicContact CD1-CB 4.14Å; L99-V138 HydrophobicContact CD1-CG1 3.91Å; L99-V138 HydrophobicContact CD1-CG2 3.88Å; V120-V138 WeakPolarHBondContact CA-O 3.45Å; V121-V138 HydrophobicContact CG2-CB 3.93Å; V121-V138 PolarHBondContact N-O 3.21Å; V121-V138 PolarHBondContact O-N 2.78Å; V123-V138 HydrophobicContact CG2-CG2 4.29Å; V138-I140 HydrophobicContact CG1-CG1 4.35Å |
| 139 | R | 90.5 | Very high | 88.1 | Confident | 116 Ų | 116 | 56 Ų | 56 | 44% | 0.438 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 114.6 | 177 | -176.2 | 167.9 | -163.4 | -167.9 | 3.6 | 109.4 | T47 I48 V49 V120 V141 | T47-R139 PolarHBondContact O-N 2.82Å; I48-R139 WeakPolarHBondContact CA-O 3.46Å; I48-R139 HydrophobicContact CG1-CB 4.45Å; V49-R139 PolarHBondContact N-O 2.81Å; V120-R139 HydrophobicContact CG2-CB 4.45Å; V120-R139 HydrophobicContact CG2-CG 4.03Å; R139-V141 HydrophobicContact CG-CG2 4.47Å |
| 140 | I | 89.7 | Confident | 88.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 113.8 | 177.4 | -58.9 | 140.9 | 0 | 0 | 0 | 107 | V49 I51 L61 V90 S118 I119 V138 | V49-I140 HydrophobicContact CG2-CG1 3.92Å; V49-I140 CarbonylContact O-C 3.57Å; V49-I140 VanDerWaalsContact O-CA 3.26Å; V49-I140 WeakPolarHBondContact O-CA 3.42Å; I51-I140 HydrophobicContact CB-CG2 4.3Å; I51-I140 HydrophobicContact CG2-CG2 3.48Å; I51-I140 VanDerWaalsContact CG2-CG2 3.48Å; L61-I140 HydrophobicContact CD1-CD1 3.77Å; L61-I140 HydrophobicContact CD1-CG1 4.38Å; L61-I140 HydrophobicContact CD2-CD1 4.42Å; L61-I140 HydrophobicContact CD2-CG1 4.25Å; L61-I140 HydrophobicContact CD2-CG2 3.82Å; V90-I140 HydrophobicContact CG2-CD1 3.54Å; S118-I140 CarbonylContact C-O 3.58Å; S118-I140 WeakPolarHBondContact CA-O 3.27Å; S118-I140 WeakPolarHBondContact CB-O 3.37Å; I119-I140 HydrophobicContact CB-CB 4.19Å; I119-I140 HydrophobicContact CB-CD1 4.13Å; I119-I140 HydrophobicContact CG2-CD1 4.06Å; I119-I140 PolarHBondContact N-O 2.69Å; I119-I140 PolarHBondContact O-N 2.88Å; V138-I140 HydrophobicContact CG1-CG1 4.35Å |
| 141 | V | 90.2 | Very high | 89 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 33% | 0.327 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.8 | 175.8 | -177 | 0 | 0 | 0 | 0 | 108.1 | I48 V49 A50 I51 R139 | I48-V141 HydrophobicContact CG2-CG2 4.05Å; V49-V141 PolarHBondContact O-N 2.88Å; A50-V141 VanDerWaalsContact CA-O 3.28Å; A50-V141 WeakPolarHBondContact CA-O 3.48Å; I51-V141 PolarHBondContact N-O 2.89Å; R139-V141 HydrophobicContact CG-CG2 4.47Å |
| 142 | V | 89.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.6 | 176 | -171.9 | 0 | 0 | 0 | 0 | 108.1 | I51 E53 L108 R110 I116 H117 | I51-V142 HydrophobicContact CG2-CG2 4.45Å; I51-V142 CarbonylContact O-C 3.56Å; I51-V142 WeakPolarHBondContact O-CA 3.2Å; E53-V142 HydrophobicContact CB-CG1 3.75Å; L108-V142 HydrophobicContact CD1-CG2 3.98Å; L108-V142 HydrophobicContact CD2-CG1 4.18Å; L108-V142 HydrophobicContact CD2-CG2 3.97Å; L108-V142 HydrophobicContact CG-CG1 4.15Å; L108-V142 HydrophobicContact CG-CG2 4.12Å; R110-V142 HydrophobicContact CB-CG1 4.06Å; R110-V142 WeakPolarHBondContact CD-O 3.44Å; R110-V142 HydrophobicContact CG-CG1 4.39Å; R110-V142 PolarHBondContact NH1-O 3.16Å; I116-V142 HydrophobicContact CG2-CG2 4.42Å; I116-V142 VanDerWaalsContact O-CB 3.32Å; I116-V142 WeakPolarHBondContact O-CB 3.43Å; I116-V142 WeakPolarHBondContact O-CG2 3.33Å; H117-V142 PolarHBondContact O-N 2.78Å |
| 143 | R | 87.7 | Confident | 89.7 | Confident | 124 Ų | 124 | 54.9 Ų | 54.9 | 47% | 0.468 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 138.5 | 175.8 | -64.9 | -174 | -64.4 | -165.8 | -0.2 | 108.6 | A50 I51 D52 E53 | A50-R143 HydrophobicContact CB-CG 3.98Å; I51-R143 PolarHBondContact O-N 3.17Å; D52-R143 IonicContact OD1-CZ 3.07Å; D52-R143 IonicContact OD1-NE 3.92Å; D52-R143 PolarHBondContact OD1-NE 3.31Å; D52-R143 IonicContact OD1-NH2 2.7Å; D52-R143 PolarHBondContact OD1-NH2 2.88Å; D52-R143 IonicContact OD2-NH2 3.92Å; E53-R143 PolarHBondContact N-O 2.81Å |
| 144 | D | 88.5 | Confident | 89.8 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 13% | 0.128 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 140.5 | 178.7 | -166.7 | 81.6 | 0 | 0 | 0 | 111.2 | E53 D186 N189 | E53-D144 WeakPolarHBondContact OE1-CA 3.18Å; D144-D186 HydrophobicContact CB-CB 4.25Å; D144-D186 VanDerWaalsContact CG-N 3.29Å; D144-D186 VanDerWaalsContact OD1-CB 3.29Å; D144-D186 WeakPolarHBondContact OD1-CB 3.25Å; D144-D186 PolarHBondContact OD1-N 2.92Å; D144-D186 PolarHBondContact OD2-N 2.99Å; D144-N189 VanDerWaalsContact OD2-CB 3.29Å; D144-N189 WeakPolarHBondContact OD2-CB 3.15Å; D144-N189 PolarHBondContact OD2-ND2 2.61Å |
| 145 | R | 87.6 | Confident | 89.8 | Confident | 120 Ų | 120 | 62.1 Ų | 62.1 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | trans | -115.6 | 142.9 | 164.6 | -81.3 | -156.8 | 175.3 | -105.6 | -10.2 | 108.8 | D52 E53 D147 | D52-R145 HydrophobicContact CB-CG 4.18Å; D52-R145 IonicContact OD2-CZ 3.63Å; D52-R145 IonicContact OD2-NE 3.73Å; D52-R145 IonicContact OD2-NH2 2.84Å; D52-R145 PolarHBondContact OD2-NH2 3.32Å; E53-R145 HydrophobicContact CG-CB 3.94Å; E53-R145 HydrophobicContact CG-CG 4.27Å; E53-R145 PolarHBondContact OE1-N 2.78Å; R145-D147 PolarHBondContact O-N 2.96Å | ||
| 146 | N | 89.8 | Confident | 89.9 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | trans | -74.1 | 72 | 176.1 | -160 | 69.4 | 0 | 0 | 0 | 111.4 | D185 N189 D241 A243 E248 R250 | N146-D185 VanDerWaalsContact CA-OD2 3.26Å; N146-D185 WeakPolarHBondContact CA-OD2 3.1Å; N146-D185 PolarHBondContact OD1-OD2 3.2Å; N146-N189 HydrophobicContact CB-CB 4.16Å; N146-N189 PolarHBondContact N-ND2 3.06Å; N146-N189 WeakPolarHBondContact OD1-CA 3.39Å; N146-N189 WeakPolarHBondContact OD1-CB 3.45Å; N146-D241 PolarHBondContact ND2-OD2 3.41Å; N146-D241 PolarHBondContact OD1-OD2 3.4Å; N146-A243 HydrophobicContact CB-CB 4.22Å; N146-E248 PolarHBondContact ND2-O 2.92Å; N146-R250 PolarHBondContact O-NE 3.43Å | ||
| 147 | D | 88.2 | Confident | 90.2 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 20% | 0.198 | 29% | 0.286 | C | S | . | . | trans | -107.2 | -10.4 | -175 | 77.3 | -16.2 | 0 | 0 | 0 | 114.2 | R145 D185 R250 | R145-D147 PolarHBondContact O-N 2.96Å; D147-D185 PolarHBondContact N-OD2 3.5Å; D147-R250 VanDerWaalsContact C-CZ 3.43Å; D147-R250 PolarHBondContact O-NH1 2.96Å; D147-R250 PolarHBondContact O-NH2 2.87Å | ||
| 148 | N | 89.9 | Confident | 90.4 | Very high | 49 Ų | 49 | 62 Ų | 62 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -102.2 | 153.7 | 167.9 | -57.6 | -77.9 | 0 | 0 | 0 | 111.6 | D111 I184 D185 R250 | D111-N148 PolarHBondContact OD2-ND2 2.98Å; N148-I184 HydrophobicContact CB-CD1 4.3Å; N148-I184 HydrophobicContact CB-CG1 3.79Å; N148-I184 WeakPolarHBondContact ND2-CG1 3.42Å; N148-D185 WeakPolarHBondContact CB-OD1 3.43Å; N148-D185 PolarHBondContact N-OD1 3.43Å; N148-D185 PolarHBondContact N-OD2 2.93Å; N148-D185 PolarHBondContact ND2-OD1 3.31Å; N148-R250 WeakPolarHBondContact O-CD 3.48Å |
| 149 | S | 91.3 | Very high | 90.5 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | trans | -106.2 | 149.2 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 108.5 | T151 R250 | S149-T151 PolarHBondContact O-N 3.45Å; S149-R250 WeakPolarHBondContact OG-CB 3.37Å; S149-R250 PolarHBondContact OG-NH1 2.91Å | ||
| 150 | P | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -56.2 | 139.8 | 175.2 | -24.3 | 31.5 | 0 | 0 | 0 | 111 | A181 D183 I192 A239 D241 T252 | P150-A181 HydrophobicContact CB-CB 4.34Å; P150-D183 HydrophobicContact CB-CB 4.4Å; P150-D183 WeakPolarHBondContact CD-OD2 3.34Å; P150-D183 HydrophobicContact CG-CB 4.38Å; P150-D183 WeakPolarHBondContact CG-OD2 3.4Å; P150-D183 VanDerWaalsContact N-OD2 3.1Å; P150-I192 HydrophobicContact CB-CD1 4.14Å; P150-I192 HydrophobicContact CB-CG1 4.2Å; P150-I192 HydrophobicContact CG-CG1 4.35Å; P150-A239 HydrophobicContact CB-CB 4.29Å; P150-D241 HydrophobicContact CG-CB 4.11Å; P150-T252 WeakPolarHBondContact O-CB 3.47Å; P150-T252 PolarHBondContact O-OG1 2.83Å | ||
| 151 | T | 91.6 | Very high | 90.8 | Very high | 82 Ų | 82 | 60.9 Ų | 60.9 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.7 | 179 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | S149 A181 T182 | S149-T151 PolarHBondContact O-N 3.45Å; T151-A181 CarbonylContact O-C 3.58Å; T151-A181 WeakPolarHBondContact O-CA 3.41Å; T151-T182 PolarHBondContact N-O 2.8Å; T151-T182 PolarHBondContact O-N 2.86Å; T151-T182 PolarHBondContact OG1-O 3.34Å |
| 152 | F | 93 | Very high | 90.8 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 140.7 | 171.3 | -75.5 | -79.4 | 0 | 0 | 0 | 110.4 | H154 Y157 F175 A181 Y194 I237 A239 T252 T254 | F152-H154 VanDerWaalsContact C-N 3.31Å; F152-H154 WeakPolarHBondContact CB-O 3.22Å; F152-H154 PolarHBondContact O-N 3.19Å; F152-Y157 HydrophobicContact CB-CE2 4.34Å; F152-Y157 AromaticContact CD1-CE2 3.8Å; F152-Y157 HydrophobicContact CD1-CE2 3.8Å; F152-Y157 HydrophobicContact CE1-CE2 4.47Å; F152-Y157 HydrophobicContact CG-CE2 4.31Å; F152-F175 HydrophobicContact CD1-CD1 4.42Å; F152-F175 HydrophobicContact CD1-CE1 4.38Å; F152-F175 AromaticContact CE1-CD1 3.95Å; F152-F175 HydrophobicContact CE1-CD1 3.95Å; F152-F175 AromaticContact CE1-CE1 3.88Å; F152-F175 HydrophobicContact CE1-CE1 3.88Å; F152-A181 HydrophobicContact CD1-CB 3.82Å; F152-A181 HydrophobicContact CD2-CB 4.4Å; F152-A181 HydrophobicContact CE1-CB 3.89Å; F152-A181 HydrophobicContact CE2-CB 4.45Å; F152-A181 HydrophobicContact CG-CB 4.1Å; F152-A181 HydrophobicContact CZ-CB 4.21Å; F152-Y194 HydrophobicContact CE1-CD1 4.21Å; F152-Y194 AromaticContact CE1-CE1 3.64Å; F152-Y194 HydrophobicContact CE1-CE1 3.64Å; F152-Y194 HydrophobicContact CZ-CD1 4.15Å; F152-Y194 AromaticContact CZ-CE1 3.92Å; F152-Y194 HydrophobicContact CZ-CE1 3.92Å; F152-I237 HydrophobicContact CZ-CG2 4.15Å; F152-A239 HydrophobicContact CE1-CB 4.33Å; F152-A239 HydrophobicContact CE2-CB 3.68Å; F152-A239 HydrophobicContact CZ-CB 3.51Å; F152-T252 HydrophobicContact CD2-CG2 4.14Å; F152-T254 HydrophobicContact CD1-CG2 3.77Å; F152-T254 HydrophobicContact CD2-CG2 3.72Å; F152-T254 HydrophobicContact CE1-CG2 3.58Å; F152-T254 HydrophobicContact CE2-CG2 3.55Å; F152-T254 HydrophobicContact CG-CG2 3.82Å; F152-T254 HydrophobicContact CZ-CG2 3.48Å; F152-T254 VanDerWaalsContact CZ-CG2 3.48Å |
| 153 | K | 89.7 | Confident | 91 | Very high | 123 Ų | 123 | 61.5 Ų | 61.5 | 54% | 0.535 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -63.7 | -35.8 | 175.4 | -175.7 | 169.8 | -177.5 | 179.3 | 0 | 114 | D178 G180 | K153-D178 WeakPolarHBondContact CD-O 3.42Å; K153-D178 PolarHBondContact NZ-O 3.48Å; K153-G180 PolarHBondContact N-O 3.35Å |
| 154 | H | 90.3 | Very high | 91.1 | Very high | 82 Ų | 82 | 60 Ų | 60 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -117 | 144.4 | 179 | -54.8 | 97 | 0 | 0 | 0 | 110.2 | F152 S156 Y157 N179 | F152-H154 VanDerWaalsContact C-N 3.31Å; F152-H154 WeakPolarHBondContact CB-O 3.22Å; F152-H154 PolarHBondContact O-N 3.19Å; H154-S156 WeakPolarHBondContact CB-O 3.49Å; H154-S156 PolarHBondContact O-N 2.82Å; H154-Y157 HydrophobicContact CB-CE1 4.17Å; H154-Y157 HydrophobicContact CB-CE2 4.2Å; H154-Y157 PolarHBondContact N-OH 3.37Å; H154-Y157 AromaticContact ND1-CE1 3.56Å; H154-Y157 AromaticContact ND1-CZ 3.85Å; H154-N179 PolarHBondContact CE1-OD1 3.15Å; H154-N179 VanDerWaalsContact CE1-OD1 3.27Å |
| 155 | E | 88.6 | Confident | 91.2 | Very high | 188 Ų | 188 | 60.2 Ų | 60.2 | 88% | 0.879 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -63.3 | -32.2 | 176.5 | -65.2 | -173.7 | 164.9 | 0 | 0 | 112.1 | T254 | E155-T254 PolarHBondContact O-OG1 3.19Š|
| 156 | S | 91.2 | Very high | 91.4 | Very high | 68 Ų | 68 | 58.7 Ų | 58.7 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 157.8 | 176.2 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | H154 T255 | H154-S156 WeakPolarHBondContact CB-O 3.49Å; H154-S156 PolarHBondContact O-N 2.82Å; S156-T255 WeakPolarHBondContact CA-O 3.26Å; S156-T255 WeakPolarHBondContact CB-O 3.34Å |
| 157 | Y | 93.8 | Very high | 91.4 | Very high | 14 Ų | 14 | 61.4 Ų | 61.4 | 6% | 0.055 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 155.8 | 176.9 | -64.1 | -94.3 | 0 | 0 | 0 | 110.1 | F152 H154 F172 F175 N179 T254 T255 L256 T257 | F152-Y157 HydrophobicContact CB-CE2 4.34Å; F152-Y157 AromaticContact CD1-CE2 3.8Å; F152-Y157 HydrophobicContact CD1-CE2 3.8Å; F152-Y157 HydrophobicContact CE1-CE2 4.47Å; F152-Y157 HydrophobicContact CG-CE2 4.31Å; H154-Y157 HydrophobicContact CB-CE1 4.17Å; H154-Y157 HydrophobicContact CB-CE2 4.2Å; H154-Y157 PolarHBondContact N-OH 3.37Å; H154-Y157 AromaticContact ND1-CE1 3.56Å; H154-Y157 AromaticContact ND1-CZ 3.85Å; Y157-F172 HydrophobicContact CD1-CE1 4.44Å; Y157-F172 HydrophobicContact CD1-CE2 4.49Å; Y157-F172 AromaticContact CD1-CZ 3.63Å; Y157-F172 HydrophobicContact CD1-CZ 3.63Å; Y157-F172 AromaticContact CG-CZ 3.97Å; Y157-F172 HydrophobicContact CG-CZ 3.97Å; Y157-F175 HydrophobicContact CD1-CE1 4.23Å; Y157-F175 AromaticContact CD2-CE1 3.67Å; Y157-F175 HydrophobicContact CD2-CE1 3.67Å; Y157-F175 HydrophobicContact CD2-CZ 4.36Å; Y157-F175 HydrophobicContact CE1-CD1 4.41Å; Y157-F175 HydrophobicContact CE1-CE1 4.25Å; Y157-F175 HydrophobicContact CE2-CD1 4.38Å; Y157-F175 AromaticContact CE2-CE1 3.74Å; Y157-F175 HydrophobicContact CE2-CE1 3.74Å; Y157-F175 AromaticContact CG-CE1 3.93Å; Y157-F175 HydrophobicContact CG-CE1 3.93Å; Y157-F175 HydrophobicContact CG-CZ 4.5Å; Y157-N179 WeakPolarHBondContact CE1-O 3.48Å; Y157-N179 PolarHBondContact OH-O 3.15Å; Y157-T254 HydrophobicContact CD2-CG2 3.82Å; Y157-T254 HydrophobicContact CE2-CG2 3.83Å; Y157-T255 PolarHBondContact N-O 3.08Å; Y157-L256 WeakPolarHBondContact O-CA 3.33Å; Y157-T257 PolarHBondContact O-N 2.99Å |
| 158 | Y | 93.4 | Very high | 91.5 | Very high | 131 Ų | 131 | 62.1 Ų | 62.1 | 51% | 0.514 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.9 | -176.4 | -175.8 | -100.8 | 0 | 0 | 0 | 110.7 | T160 T257 D259 | Y158-T160 HydrophobicContact CE1-CG2 3.67Å; Y158-T160 WeakPolarHBondContact OH-CG2 3.18Å; Y158-T257 WeakPolarHBondContact CA-O 3.42Å; Y158-T257 HydrophobicContact CD2-CG2 4.27Å; Y158-T257 HydrophobicContact CE2-CG2 4.4Å; Y158-D259 HydrophobicContact CE2-CB 4.26Å; Y158-D259 VanDerWaalsContact CE2-OD2 3.27Å; Y158-D259 WeakPolarHBondContact CE2-OD2 3.36Å; Y158-D259 WeakPolarHBondContact OH-CB 3.38Å; Y158-D259 PolarHBondContact OH-OD2 3.35Å |
| 159 | A | 93.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F172 L256 T257 V258 D259 | A159-F172 HydrophobicContact CB-CB 4.5Å; A159-F172 HydrophobicContact CB-CD2 4Å; A159-L256 HydrophobicContact CB-CD1 4.25Å; A159-T257 PolarHBondContact N-O 3.31Å; A159-V258 WeakPolarHBondContact O-CA 3.3Å; A159-D259 PolarHBondContact O-N 3.41Å |
| 160 | T | 92.2 | Very high | 91.7 | Very high | 73 Ų | 73 | 63.3 Ų | 63.3 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.2 | 169.8 | 48.3 | 0 | 0 | 0 | 0 | 109.5 | Y158 D259 L261 | Y158-T160 HydrophobicContact CE1-CG2 3.67Å; Y158-T160 WeakPolarHBondContact OH-CG2 3.18Å; T160-D259 VanDerWaalsContact CA-O 3.32Å; T160-D259 WeakPolarHBondContact CA-O 3.43Å; T160-D259 HydrophobicContact CG2-CB 4.15Å; T160-L261 HydrophobicContact CG2-CD2 4.4Å |
| 161 | V | 93.2 | Very high | 91.6 | Very high | 9 Ų | 9 | 64.6 Ų | 64.6 | 6% | 0.055 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 129.6 | 179.3 | 58.6 | 0 | 0 | 0 | 0 | 109.2 | T165 I171 L225 V258 D259 V260 L261 | V161-T165 HydrophobicContact CG2-CG2 4Å; V161-T165 WeakPolarHBondContact CG2-OG1 3.44Å; V161-I171 HydrophobicContact CB-CG2 4.23Å; V161-I171 HydrophobicContact CG2-CG2 3.72Å; V161-L225 HydrophobicContact CB-CD1 4.27Å; V161-L225 HydrophobicContact CG1-CD1 3.42Å; V161-L225 VanDerWaalsContact CG1-CD1 3.42Å; V161-L225 HydrophobicContact CG2-CD1 3.84Å; V161-V258 HydrophobicContact CB-CG1 4.46Å; V161-V258 HydrophobicContact CG1-CG1 3.48Å; V161-V258 VanDerWaalsContact CG1-CG1 3.48Å; V161-D259 PolarHBondContact N-O 3.31Å; V161-V260 CarbonylContact O-C 3.56Å; V161-V260 VanDerWaalsContact O-CA 3.3Å; V161-V260 WeakPolarHBondContact O-CA 3.36Å; V161-L261 PolarHBondContact O-N 2.81Å |
| 162 | N | 90.9 | Very high | 91.6 | Very high | 58 Ų | 58 | 61.9 Ų | 61.9 | 31% | 0.31 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 139.6 | 174.9 | -175.1 | -64.4 | 0 | 0 | 0 | 109.7 | L164 T165 | N162-L164 PolarHBondContact O-N 3.06Å; N162-L164 WeakPolarHBondContact OD1-CB 3.24Å; N162-L164 WeakPolarHBondContact OD1-CG 3.03Å; N162-L164 PolarHBondContact OD1-N 2.71Å; N162-T165 WeakPolarHBondContact O-CB 3.16Å; N162-T165 PolarHBondContact O-N 3.26Å; N162-T165 PolarHBondContact O-OG1 3.44Å |
| 163 | E | 92.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 64.1 Ų | 64.1 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.4 | -177.5 | 77.9 | -173.6 | 107.8 | 0 | 0 | 114.4 | T165 L225 N226 Y227 V260 L261 D262 G263 | E163-T165 PolarHBondContact O-N 3.33Å; E163-T165 VanDerWaalsContact O-N 3.12Å; E163-L225 HydrophobicContact CB-CB 4.09Å; E163-N226 WeakPolarHBondContact OE2-CA 3.3Å; E163-Y227 WeakPolarHBondContact OE1-CB 3.41Å; E163-Y227 WeakPolarHBondContact OE2-CB 3.37Å; E163-Y227 PolarHBondContact OE2-N 2.96Å; E163-V260 HydrophobicContact CB-CG1 3.75Å; E163-L261 PolarHBondContact N-O 2.9Å; E163-D262 VanDerWaalsContact OE1-CA 3.29Å; E163-D262 WeakPolarHBondContact OE1-CA 3.41Å; E163-G263 PolarHBondContact OE1-N 3.5Å |
| 164 | L | 89.8 | Confident | 91.2 | Very high | 94 Ų | 94 | 59.1 Ų | 59.1 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -4.3 | 174.5 | -58 | 173.8 | 0 | 0 | 0 | 112.6 | N162 P166 D265 | N162-L164 PolarHBondContact O-N 3.06Å; N162-L164 WeakPolarHBondContact OD1-CB 3.24Å; N162-L164 WeakPolarHBondContact OD1-CG 3.03Å; N162-L164 PolarHBondContact OD1-N 2.71Å; L164-P166 WeakPolarHBondContact O-CD 3.31Å; L164-D265 HydrophobicContact CD2-CB 3.66Å |
| 165 | T | 91.2 | Very high | 91 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 17% | 0.172 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 122.6 | 179.7 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | V161 N162 E163 T169 L221 | V161-T165 HydrophobicContact CG2-CG2 4Å; V161-T165 WeakPolarHBondContact CG2-OG1 3.44Å; N162-T165 WeakPolarHBondContact O-CB 3.16Å; N162-T165 PolarHBondContact O-N 3.26Å; N162-T165 PolarHBondContact O-OG1 3.44Å; E163-T165 PolarHBondContact O-N 3.33Å; E163-T165 VanDerWaalsContact O-N 3.12Å; T165-T169 HydrophobicContact CG2-CG2 3.85Å; T165-L221 HydrophobicContact CG2-CD2 4.25Å; T165-L221 WeakPolarHBondContact O-CD2 3.31Å |
| 166 | P | 91.5 | Very high | 90.6 | Very high | 88 Ų | 88 | 50 Ų | 50 | 57% | 0.571 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 145.8 | 178.8 | -23.4 | 33.7 | 0 | 0 | 0 | 112.8 | L164 G168 T169 | L164-P166 WeakPolarHBondContact O-CD 3.31Å; P166-G168 PolarHBondContact O-N 2.81Å; P166-T169 WeakPolarHBondContact O-CB 3.28Å; P166-T169 PolarHBondContact O-N 3.4Å; P166-T169 PolarHBondContact O-OG1 2.78Å |
| 167 | V | 90.6 | Very high | 89.9 | Confident | 74 Ų | 74 | 49.8 Ų | 49.8 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 137.6 | 170.4 | 174.9 | 0 | 0 | 0 | 0 | 110.1 | R222 R224 | V167-R222 WeakPolarHBondContact CG1-O 3.45Å; V167-R224 HydrophobicContact CG2-CG 3.76Å |
| 168 | G | 89.7 | Confident | 89.2 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -6.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P166 V220 L221 | P166-G168 PolarHBondContact O-N 2.81Å; G168-V220 VanDerWaalsContact C-CG1 3.48Å; G168-V220 WeakPolarHBondContact O-CG1 3.48Å; G168-L221 PolarHBondContact N-O 2.94Å |
| 169 | T | 92.6 | Very high | 88.8 | Confident | 56 Ų | 56 | 52.1 Ų | 52.1 | 34% | 0.344 | 33% | 0.334 | S | S | . | . | trans | -73.7 | 135.1 | 176.4 | -48.9 | 0 | 0 | 0 | 0 | 110.6 | T165 P166 I171 V220 L221 | T165-T169 HydrophobicContact CG2-CG2 3.85Å; P166-T169 WeakPolarHBondContact O-CB 3.28Å; P166-T169 PolarHBondContact O-N 3.4Å; P166-T169 PolarHBondContact O-OG1 2.78Å; T169-I171 PolarHBondContact O-N 2.6Å; T169-V220 WeakPolarHBondContact O-CA 3.08Å; T169-L221 PolarHBondContact O-N 3.01Å | ||
| 170 | T | 92.4 | Very high | 88.5 | Confident | 64 Ų | 64 | 51.6 Ų | 51.6 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 117.6 | 171.7 | -54.9 | 0 | 0 | 0 | 0 | 109.2 | T173 N218 V219 | T170-T173 HydrophobicContact CG2-CG2 3.57Å; T170-N218 HydrophobicContact CG2-CB 3.91Å; T170-V219 CarbonylContact C-O 3.58Å; T170-V219 WeakPolarHBondContact CA-O 3.41Å |
| 171 | I | 91.3 | Very high | 88.5 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 14% | 0.138 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -20.5 | -176.9 | 59.4 | 151 | 0 | 0 | 0 | 112.9 | V161 T169 F209 V219 L221 V258 | V161-I171 HydrophobicContact CB-CG2 4.23Å; V161-I171 HydrophobicContact CG2-CG2 3.72Å; T169-I171 PolarHBondContact O-N 2.6Å; I171-F209 HydrophobicContact CD1-CD1 3.47Å; I171-F209 VanDerWaalsContact CD1-CD1 3.47Å; I171-F209 HydrophobicContact CD1-CE1 3.4Å; I171-F209 HydrophobicContact CD1-CZ 4.4Å; I171-F209 HydrophobicContact CG1-CD1 4.39Å; I171-V219 HydrophobicContact CD1-CG1 4.03Å; I171-V219 HydrophobicContact CG1-CB 4.17Å; I171-V219 HydrophobicContact CG1-CG1 4.03Å; I171-V219 VanDerWaalsContact CG1-O 3.3Å; I171-V219 WeakPolarHBondContact CG1-O 3.18Å; I171-V219 PolarHBondContact N-O 2.91Å; I171-L221 HydrophobicContact CG2-CB 4.12Å; I171-V258 HydrophobicContact CD1-CG1 4.07Å; I171-V258 HydrophobicContact CD1-CG2 4.02Å |
| 172 | F | 92.1 | Very high | 88.3 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 128.6 | -178.3 | -174.4 | -98.1 | 0 | 0 | 0 | 111.8 | Y157 A159 G174 F175 N218 V219 L256 | Y157-F172 HydrophobicContact CD1-CE1 4.44Å; Y157-F172 HydrophobicContact CD1-CE2 4.49Å; Y157-F172 AromaticContact CD1-CZ 3.63Å; Y157-F172 HydrophobicContact CD1-CZ 3.63Å; Y157-F172 AromaticContact CG-CZ 3.97Å; Y157-F172 HydrophobicContact CG-CZ 3.97Å; A159-F172 HydrophobicContact CB-CB 4.5Å; A159-F172 HydrophobicContact CB-CD2 4Å; F172-G174 VanDerWaalsContact CZ-CA 3.43Å; F172-F175 AromaticContact CD1-CD2 3.9Å; F172-F175 HydrophobicContact CD1-CD2 3.9Å; F172-F175 AromaticContact CD1-CE2 3.59Å; F172-F175 HydrophobicContact CD1-CE2 3.59Å; F172-F175 AromaticContact CD1-CZ 3.98Å; F172-F175 HydrophobicContact CD1-CZ 3.98Å; F172-F175 AromaticContact CE1-CD1 3.91Å; F172-F175 HydrophobicContact CE1-CD1 3.91Å; F172-F175 AromaticContact CE1-CD2 3.66Å; F172-F175 HydrophobicContact CE1-CD2 3.66Å; F172-F175 AromaticContact CE1-CE1 3.69Å; F172-F175 HydrophobicContact CE1-CE1 3.69Å; F172-F175 AromaticContact CE1-CE2 3.43Å; F172-F175 HydrophobicContact CE1-CE2 3.43Å; F172-F175 VanDerWaalsContact CE1-CE2 3.43Å; F172-F175 AromaticContact CE1-CG 3.88Å; F172-F175 HydrophobicContact CE1-CG 3.88Å; F172-F175 AromaticContact CE1-CZ 3.42Å; F172-F175 HydrophobicContact CE1-CZ 3.42Å; F172-F175 VanDerWaalsContact CE1-CZ 3.42Å; F172-F175 HydrophobicContact CZ-CE1 4.35Å; F172-F175 HydrophobicContact CZ-CZ 4.34Å; F172-N218 WeakPolarHBondContact O-CA 3.46Å; F172-V219 HydrophobicContact CB-CB 4.13Å; F172-V219 HydrophobicContact CB-CG2 4.34Å; F172-V219 HydrophobicContact CD1-CG2 4.34Å; F172-V219 PolarHBondContact N-O 3.3Å; F172-V219 PolarHBondContact O-N 3.06Å; F172-L256 HydrophobicContact CB-CD2 4.12Å; F172-L256 HydrophobicContact CD1-CD1 4.37Å; F172-L256 HydrophobicContact CD1-CD2 4.13Å; F172-L256 HydrophobicContact CD2-CD1 3.95Å; F172-L256 HydrophobicContact CE1-CD1 4.48Å; F172-L256 HydrophobicContact CE2-CD1 4.06Å; F172-L256 HydrophobicContact CG-CD1 4.1Å; F172-L256 HydrophobicContact CG-CD2 4.08Å; F172-L256 HydrophobicContact CZ-CD1 4.33Å |
| 173 | T | 89.5 | Confident | 88.4 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | trans | -124.6 | 11 | 178.5 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | T170 F175 S176 | T170-T173 HydrophobicContact CG2-CG2 3.57Å; T173-F175 PolarHBondContact O-N 3.2Å; T173-F175 VanDerWaalsContact O-N 3.1Å; T173-S176 PolarHBondContact O-N 2.83Å; T173-S176 PolarHBondContact O-OG 2.9Å | ||
| 174 | G | 85 | Confident | 88.2 | Confident | 18 Ų | 18 | 53 Ų | 53 | 19% | 0.186 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -3.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F172 S176 N179 | F172-G174 VanDerWaalsContact CZ-CA 3.43Å; G174-S176 VanDerWaalsContact C-N 3.33Å; G174-N179 CarbonylContact O-C 3.44Å; G174-N179 WeakPolarHBondContact O-CB 3.34Å; G174-N179 PolarHBondContact O-ND2 2.96Å; G174-N179 VanDerWaalsContact O-ND2 3.15Å |
| 175 | F | 86.8 | Confident | 88.3 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -3.5 | 172.9 | -55.9 | -53 | 0 | 0 | 0 | 113.7 | F152 Y157 F172 T173 G180 Y194 G217 V219 I237 T254 | F152-F175 HydrophobicContact CD1-CD1 4.42Å; F152-F175 HydrophobicContact CD1-CE1 4.38Å; F152-F175 AromaticContact CE1-CD1 3.95Å; F152-F175 HydrophobicContact CE1-CD1 3.95Å; F152-F175 AromaticContact CE1-CE1 3.88Å; F152-F175 HydrophobicContact CE1-CE1 3.88Å; Y157-F175 HydrophobicContact CD1-CE1 4.23Å; Y157-F175 AromaticContact CD2-CE1 3.67Å; Y157-F175 HydrophobicContact CD2-CE1 3.67Å; Y157-F175 HydrophobicContact CD2-CZ 4.36Å; Y157-F175 HydrophobicContact CE1-CD1 4.41Å; Y157-F175 HydrophobicContact CE1-CE1 4.25Å; Y157-F175 HydrophobicContact CE2-CD1 4.38Å; Y157-F175 AromaticContact CE2-CE1 3.74Å; Y157-F175 HydrophobicContact CE2-CE1 3.74Å; Y157-F175 AromaticContact CG-CE1 3.93Å; Y157-F175 HydrophobicContact CG-CE1 3.93Å; Y157-F175 HydrophobicContact CG-CZ 4.5Å; F172-F175 AromaticContact CD1-CD2 3.9Å; F172-F175 HydrophobicContact CD1-CD2 3.9Å; F172-F175 AromaticContact CD1-CE2 3.59Å; F172-F175 HydrophobicContact CD1-CE2 3.59Å; F172-F175 AromaticContact CD1-CZ 3.98Å; F172-F175 HydrophobicContact CD1-CZ 3.98Å; F172-F175 AromaticContact CE1-CD1 3.91Å; F172-F175 HydrophobicContact CE1-CD1 3.91Å; F172-F175 AromaticContact CE1-CD2 3.66Å; F172-F175 HydrophobicContact CE1-CD2 3.66Å; F172-F175 AromaticContact CE1-CE1 3.69Å; F172-F175 HydrophobicContact CE1-CE1 3.69Å; F172-F175 AromaticContact CE1-CE2 3.43Å; F172-F175 HydrophobicContact CE1-CE2 3.43Å; F172-F175 VanDerWaalsContact CE1-CE2 3.43Å; F172-F175 AromaticContact CE1-CG 3.88Å; F172-F175 HydrophobicContact CE1-CG 3.88Å; F172-F175 AromaticContact CE1-CZ 3.42Å; F172-F175 HydrophobicContact CE1-CZ 3.42Å; F172-F175 VanDerWaalsContact CE1-CZ 3.42Å; F172-F175 HydrophobicContact CZ-CE1 4.35Å; F172-F175 HydrophobicContact CZ-CZ 4.34Å; T173-F175 PolarHBondContact O-N 3.2Å; T173-F175 VanDerWaalsContact O-N 3.1Å; F175-G180 WeakPolarHBondContact O-CA 3.44Å; F175-Y194 HydrophobicContact CB-CE1 4.29Å; F175-Y194 HydrophobicContact CB-CE2 4.14Å; F175-Y194 HydrophobicContact CG-CE1 4.34Å; F175-G217 VanDerWaalsContact CD2-O 3.27Å; F175-G217 WeakPolarHBondContact CD2-O 3.18Å; F175-V219 HydrophobicContact CE2-CG2 4.09Å; F175-I237 HydrophobicContact CE2-CD1 4.38Å; F175-I237 HydrophobicContact CE2-CG1 4.11Å; F175-I237 HydrophobicContact CE2-CG2 3.92Å; F175-I237 HydrophobicContact CZ-CB 4.15Å; F175-I237 HydrophobicContact CZ-CG1 3.82Å; F175-I237 HydrophobicContact CZ-CG2 3.89Å; F175-T254 HydrophobicContact CE1-CG2 4.43Å |
| 176 | S | 78.4 | Confident | 88 | Confident | 73 Ų | 73 | 51 Ų | 51 | 51% | 0.51 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 142.9 | 177.9 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | T173 G174 | T173-S176 PolarHBondContact O-N 2.83Å; T173-S176 PolarHBondContact O-OG 2.9Å; G174-S176 VanDerWaalsContact C-N 3.33Å |
| 177 | G | 78.2 | Confident | 87.7 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 66% | 0.66 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | 66.4 | -148.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | N179 | G177-N179 PolarHBondContact O-N 3.37Š|
| 178 | D | 77.3 | Confident | 87.6 | Confident | 138 Ų | 138 | 48 Ų | 48 | 74% | 0.738 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -71.8 | 15.4 | -177.4 | -60.6 | -13 | 0 | 0 | 0 | 114 | K153 | K153-D178 WeakPolarHBondContact CD-O 3.42Å; K153-D178 PolarHBondContact NZ-O 3.48Å |
| 179 | N | 84.9 | Confident | 87.6 | Confident | 57 Ų | 57 | 46.7 Ų | 46.7 | 31% | 0.305 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -114.1 | -11.1 | -175.3 | -149.3 | 60.4 | 0 | 0 | 0 | 113.6 | H154 Y157 G174 G177 | H154-N179 PolarHBondContact CE1-OD1 3.15Å; H154-N179 VanDerWaalsContact CE1-OD1 3.27Å; Y157-N179 WeakPolarHBondContact CE1-O 3.48Å; Y157-N179 PolarHBondContact OH-O 3.15Å; G174-N179 CarbonylContact O-C 3.44Å; G174-N179 WeakPolarHBondContact O-CB 3.34Å; G174-N179 PolarHBondContact O-ND2 2.96Å; G174-N179 VanDerWaalsContact O-ND2 3.15Å; G177-N179 PolarHBondContact O-N 3.37Å |
| 180 | G | 88.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -83.5 | -153.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K153 F175 | K153-G180 PolarHBondContact N-O 3.35Å; F175-G180 WeakPolarHBondContact O-CA 3.44Å |
| 181 | A | 91.4 | Very high | 87.3 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 145 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | P150 T151 F152 I192 Y194 A239 | P150-A181 HydrophobicContact CB-CB 4.34Å; T151-A181 CarbonylContact O-C 3.58Å; T151-A181 WeakPolarHBondContact O-CA 3.41Å; F152-A181 HydrophobicContact CD1-CB 3.82Å; F152-A181 HydrophobicContact CD2-CB 4.4Å; F152-A181 HydrophobicContact CE1-CB 3.89Å; F152-A181 HydrophobicContact CE2-CB 4.45Å; F152-A181 HydrophobicContact CG-CB 4.1Å; F152-A181 HydrophobicContact CZ-CB 4.21Å; A181-I192 HydrophobicContact CB-CD1 3.84Å; A181-I192 HydrophobicContact CB-CG2 4.29Å; A181-I192 WeakPolarHBondContact O-CD1 3.47Å; A181-Y194 HydrophobicContact CB-CE1 3.98Å; A181-Y194 PolarHBondContact N-OH 3.27Å; A181-Y194 PolarHBondContact O-OH 3.03Å; A181-A239 HydrophobicContact CB-CB 3.63Å |
| 182 | T | 90.5 | Very high | 87.3 | Confident | 65 Ų | 65 | 45.8 Ų | 45.8 | 40% | 0.399 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.1 | 172.8 | 52.7 | 0 | 0 | 0 | 0 | 109.1 | T151 | T151-T182 PolarHBondContact N-O 2.8Å; T151-T182 PolarHBondContact O-N 2.86Å; T151-T182 PolarHBondContact OG1-O 3.34Å |
| 183 | D | 91.9 | Very high | 87.3 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | trans | -125.7 | 136 | 175.4 | -161.7 | -29.3 | 0 | 0 | 0 | 107.2 | P150 D185 I192 | P150-D183 HydrophobicContact CB-CB 4.4Å; P150-D183 WeakPolarHBondContact CD-OD2 3.34Å; P150-D183 HydrophobicContact CG-CB 4.38Å; P150-D183 WeakPolarHBondContact CG-OD2 3.4Å; P150-D183 VanDerWaalsContact N-OD2 3.1Å; D183-D185 PolarHBondContact OD1-N 3.07Å; D183-I192 HydrophobicContact CB-CD1 4.15Å; D183-I192 HydrophobicContact CB-CG1 4.31Å | ||
| 184 | I | 89.8 | Confident | 87.5 | Confident | 84 Ų | 84 | 43 Ų | 43 | 43% | 0.431 | 27% | 0.269 | S | S | . | . | trans | -86.8 | -17.4 | -172.6 | 62.3 | 176 | 0 | 0 | 0 | 112.2 | D111 N148 | D111-I184 HydrophobicContact CB-CD1 4.06Å; D111-I184 HydrophobicContact CB-CG1 4.27Å; N148-I184 HydrophobicContact CB-CD1 4.3Å; N148-I184 HydrophobicContact CB-CG1 3.79Å; N148-I184 WeakPolarHBondContact ND2-CG1 3.42Å | ||
| 185 | D | 90.8 | Very high | 87.9 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.032 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -58.4 | 151.6 | 176.3 | -65.4 | -5.7 | 0 | 0 | 0 | 110.9 | N146 D147 N148 D183 N189 G190 | N146-D185 VanDerWaalsContact CA-OD2 3.26Å; N146-D185 WeakPolarHBondContact CA-OD2 3.1Å; N146-D185 PolarHBondContact OD1-OD2 3.2Å; D147-D185 PolarHBondContact N-OD2 3.5Å; N148-D185 WeakPolarHBondContact CB-OD1 3.43Å; N148-D185 PolarHBondContact N-OD1 3.43Å; N148-D185 PolarHBondContact N-OD2 2.93Å; N148-D185 PolarHBondContact ND2-OD1 3.31Å; D183-D185 PolarHBondContact OD1-N 3.07Å; D185-N189 HydrophobicContact CB-CB 3.63Å; D185-G190 WeakPolarHBondContact O-CA 3.46Å; D185-G190 PolarHBondContact O-N 2.77Å |
| 186 | D | 85.4 | Confident | 88.2 | Confident | 73 Ų | 73 | 45 Ų | 45 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -95.9 | 132.9 | -171 | -137.2 | 6.9 | 0 | 0 | 0 | 112.1 | R110 D144 | R110-D186 IonicContact CZ-OD2 3.39Å; R110-D186 VanDerWaalsContact CZ-OD2 3.26Å; R110-D186 IonicContact NE-OD2 2.79Å; R110-D186 PolarHBondContact NE-OD2 2.78Å; R110-D186 IonicContact NH2-OD2 3.26Å; R110-D186 PolarHBondContact NH2-OD2 2.92Å; D144-D186 HydrophobicContact CB-CB 4.25Å; D144-D186 VanDerWaalsContact CG-N 3.29Å; D144-D186 VanDerWaalsContact OD1-CB 3.29Å; D144-D186 WeakPolarHBondContact OD1-CB 3.25Å; D144-D186 PolarHBondContact OD1-N 2.92Å; D144-D186 PolarHBondContact OD2-N 2.99Å |
| 187 | G | 86.2 | Confident | 88.9 | Confident | 37 Ų | 37 | 45.1 Ų | 45.1 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -138.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N189 G190 Q191 | G187-N189 PolarHBondContact O-N 3.09Å; G187-G190 PolarHBondContact O-N 3.35Å; G187-G190 VanDerWaalsContact O-N 3.16Å; G187-Q191 WeakPolarHBondContact O-CG 3.47Å; G187-Q191 PolarHBondContact O-N 3.28Å |
| 188 | P | 87.3 | Confident | 89.6 | Confident | 62 Ų | 62 | 47.8 Ų | 47.8 | 40% | 0.403 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.1 | -177.8 | -23.2 | 34.1 | 0 | 0 | 0 | 114.4 | G190 Q191 R242 | P188-G190 VanDerWaalsContact C-N 3.35Å; P188-Q191 PolarHBondContact O-N 3.47Å; P188-R242 WeakPolarHBondContact CB-O 3.11Å; P188-R242 CarbonylContact O-C 3.56Å; P188-R242 VanDerWaalsContact O-CA 3.27Å; P188-R242 WeakPolarHBondContact O-CA 3.45Å; P188-R242 VanDerWaalsContact O-CB 3.28Å; P188-R242 WeakPolarHBondContact O-CB 3.46Å; P188-R242 PolarHBondContact O-N 2.87Å; P188-R242 VanDerWaalsContact O-N 3.13Å |
| 189 | N | 89.1 | Confident | 90.3 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -38.2 | 175.3 | -65.6 | -9.7 | 0 | 0 | 0 | 110.5 | D144 N146 D185 G187 Q191 D241 A243 | D144-N189 VanDerWaalsContact OD2-CB 3.29Å; D144-N189 WeakPolarHBondContact OD2-CB 3.15Å; D144-N189 PolarHBondContact OD2-ND2 2.61Å; N146-N189 HydrophobicContact CB-CB 4.16Å; N146-N189 PolarHBondContact N-ND2 3.06Å; N146-N189 WeakPolarHBondContact OD1-CA 3.39Å; N146-N189 WeakPolarHBondContact OD1-CB 3.45Å; D185-N189 HydrophobicContact CB-CB 3.63Å; G187-N189 PolarHBondContact O-N 3.09Å; N189-Q191 PolarHBondContact O-N 3.15Å; N189-D241 WeakPolarHBondContact O-CB 3.45Å; N189-A243 WeakPolarHBondContact OD1-CA 3.33Å |
| 190 | G | 88.9 | Confident | 90.5 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 18% | 0.175 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -9.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | D185 G187 P188 | D185-G190 WeakPolarHBondContact O-CA 3.46Å; D185-G190 PolarHBondContact O-N 2.77Å; G187-G190 PolarHBondContact O-N 3.35Å; G187-G190 VanDerWaalsContact O-N 3.16Å; P188-G190 VanDerWaalsContact C-N 3.35Å |
| 191 | Q | 90.4 | Very high | 90.6 | Very high | 90 Ų | 90 | 51.7 Ų | 51.7 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | trans | -84.9 | 128.8 | -174.9 | -79.5 | 178.1 | 15.8 | 0 | 0 | 111.4 | G187 P188 N189 D241 R242 | G187-Q191 WeakPolarHBondContact O-CG 3.47Å; G187-Q191 PolarHBondContact O-N 3.28Å; P188-Q191 PolarHBondContact O-N 3.47Å; N189-Q191 PolarHBondContact O-N 3.15Å; Q191-D241 CarbonylContact O-C 3.55Å; Q191-D241 WeakPolarHBondContact O-CA 3.42Å; Q191-R242 HydrophobicContact CB-CB 4.32Å; Q191-R242 HydrophobicContact CB-CG 4.43Å; Q191-R242 VanDerWaalsContact O-CG 3.27Å; Q191-R242 WeakPolarHBondContact O-CG 3.14Å; Q191-R242 PolarHBondContact O-N 3.07Å | ||
| 192 | I | 91.6 | Very high | 90.5 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 11% | 0.108 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 137.6 | -171.4 | -62.8 | 163.3 | 0 | 0 | 0 | 111.9 | P150 A181 D183 Y194 A239 N240 | P150-I192 HydrophobicContact CB-CD1 4.14Å; P150-I192 HydrophobicContact CB-CG1 4.2Å; P150-I192 HydrophobicContact CG-CG1 4.35Å; A181-I192 HydrophobicContact CB-CD1 3.84Å; A181-I192 HydrophobicContact CB-CG2 4.29Å; A181-I192 WeakPolarHBondContact O-CD1 3.47Å; D183-I192 HydrophobicContact CB-CD1 4.15Å; D183-I192 HydrophobicContact CB-CG1 4.31Å; I192-Y194 HydrophobicContact CG2-CD1 4.37Å; I192-Y194 HydrophobicContact CG2-CD2 4.42Å; I192-Y194 HydrophobicContact CG2-CE1 3.93Å; I192-Y194 HydrophobicContact CG2-CE2 3.99Å; I192-A239 HydrophobicContact CG2-CB 3.79Å; I192-N240 CarbonylContact C-O 3.58Å; I192-N240 WeakPolarHBondContact CA-O 3.37Å |
| 193 | E | 92 | Very high | 90.5 | Very high | 30 Ų | 30 | 51.2 Ų | 51.2 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 133.4 | 167.1 | 66.1 | -175.8 | -160.6 | 0 | 0 | 110.8 | M214 N240 R242 R249 | E193-M214 HydrophobicContact CB-CB 4.14Å; E193-N240 HydrophobicContact CG-CB 3.86Å; E193-N240 PolarHBondContact N-O 3.35Å; E193-N240 PolarHBondContact O-N 3.02Å; E193-R242 HydrophobicContact CB-CG 4.42Å; E193-R242 HydrophobicContact CG-CG 4.2Å; E193-R242 IonicContact OE2-NE 3.09Å; E193-R249 IonicContact OE1-CZ 3.86Å; E193-R249 IonicContact OE1-NH1 2.67Å; E193-R249 PolarHBondContact OE1-NH1 3.16Å |
| 194 | Y | 94.1 | Very high | 90.3 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 135.8 | -179.8 | -59.4 | -80.7 | 0 | 0 | 0 | 111.1 | F152 F175 A181 I192 M214 G217 I237 Q238 A239 | F152-Y194 HydrophobicContact CE1-CD1 4.21Å; F152-Y194 AromaticContact CE1-CE1 3.64Å; F152-Y194 HydrophobicContact CE1-CE1 3.64Å; F152-Y194 HydrophobicContact CZ-CD1 4.15Å; F152-Y194 AromaticContact CZ-CE1 3.92Å; F152-Y194 HydrophobicContact CZ-CE1 3.92Å; F175-Y194 HydrophobicContact CB-CE1 4.29Å; F175-Y194 HydrophobicContact CB-CE2 4.14Å; F175-Y194 HydrophobicContact CG-CE1 4.34Å; A181-Y194 HydrophobicContact CB-CE1 3.98Å; A181-Y194 PolarHBondContact N-OH 3.27Å; A181-Y194 PolarHBondContact O-OH 3.03Å; I192-Y194 HydrophobicContact CG2-CD1 4.37Å; I192-Y194 HydrophobicContact CG2-CD2 4.42Å; I192-Y194 HydrophobicContact CG2-CE1 3.93Å; I192-Y194 HydrophobicContact CG2-CE2 3.99Å; Y194-M214 WeakPolarHBondContact CD2-O 3.38Å; Y194-M214 PolarHBondContact N-O 2.91Å; Y194-M214 WeakPolarHBondContact O-CA 3.34Å; Y194-M214 WeakPolarHBondContact O-CB 3.06Å; Y194-G217 VanDerWaalsContact CD2-CA 3.5Å; Y194-I237 HydrophobicContact CD1-CG2 4.09Å; Y194-Q238 WeakPolarHBondContact CA-O 3.43Å; Y194-A239 HydrophobicContact CD1-CB 3.95Å; Y194-A239 HydrophobicContact CE1-CB 3.84Å |
| 195 | V | 93.3 | Very high | 90.3 | Very high | 35 Ų | 35 | 49.1 Ų | 49.1 | 21% | 0.212 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 153.1 | 172.8 | -64 | 0 | 0 | 0 | 0 | 110.3 | M214 Q238 | V195-M214 HydrophobicContact CG1-CE 4.18Å; V195-M214 HydrophobicContact CG1-CG 4.25Å; V195-M214 HydrophobicContact CG1-SD 4.15Å; V195-Q238 HydrophobicContact CG2-CB 3.94Å; V195-Q238 HydrophobicContact CG2-CG 4.36Å; V195-Q238 PolarHBondContact N-O 2.99Å; V195-Q238 PolarHBondContact O-N 3.13Å |
| 196 | I | 93.4 | Very high | 90.2 | Very high | 29 Ų | 29 | 51.5 Ų | 51.5 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 122.5 | 171.3 | -63.4 | 177.7 | 0 | 0 | 0 | 107.9 | F209 I211 V235 I237 | I196-F209 HydrophobicContact CD1-CB 3.87Å; I196-F209 WeakPolarHBondContact CD1-O 3.39Å; I196-I211 HydrophobicContact CD1-CG1 4.12Å; I196-I211 HydrophobicContact CG1-CD1 3.75Å; I196-I211 HydrophobicContact CG1-CG1 3.84Å; I196-V235 HydrophobicContact CD1-CG1 3.98Å; I196-V235 HydrophobicContact CG1-CG1 4.03Å; I196-V235 HydrophobicContact CG2-CG1 3.77Å; I196-I237 HydrophobicContact CG1-CD1 4.07Å |
| 197 | Q | 92.9 | Very high | 90.3 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 137.9 | 172 | -176.2 | 179.3 | -11 | 0 | 0 | 109.3 | N199 I236 Q238 | Q197-N199 PolarHBondContact O-N 2.82Å; Q197-I236 HydrophobicContact CB-CB 4.17Å; Q197-I236 HydrophobicContact CB-CG2 3.88Å; Q197-I236 HydrophobicContact CG-CG2 4.47Å; Q197-I236 PolarHBondContact N-O 2.8Å; Q197-Q238 HydrophobicContact CB-CB 4.28Å |
| 198 | Y | 92.8 | Very high | 90.7 | Very high | 120 Ų | 120 | 51.1 Ų | 51.1 | 47% | 0.471 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 123.2 | 173.8 | 178 | -97 | 0 | 0 | 0 | 110.6 | P200 P203 N206 | Y198-P200 HydrophobicContact CD1-CG 4.32Å; Y198-P200 HydrophobicContact CE1-CB 4.32Å; Y198-P200 HydrophobicContact CE1-CG 4.2Å; Y198-P200 WeakPolarHBondContact O-CD 3.24Å; Y198-P203 HydrophobicContact CE2-CB 4.11Å; Y198-P203 WeakPolarHBondContact OH-CB 3.5Å; Y198-N206 HydrophobicContact CD2-CB 4.06Å |
| 199 | N | 92.6 | Very high | 91 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | trans | -98.1 | 112.3 | 175.9 | -174.4 | -0.5 | 0 | 0 | 0 | 110.2 | Q197 E201 D202 Y234 I236 | Q197-N199 PolarHBondContact O-N 2.82Å; N199-E201 VanDerWaalsContact C-N 3.25Å; N199-E201 PolarHBondContact O-N 2.83Å; N199-E201 PolarHBondContact OD1-N 3.16Å; N199-E201 VanDerWaalsContact OD1-N 3.1Å; N199-D202 HydrophobicContact CB-CB 4.44Å; N199-D202 CarbonylContact O-C 3.57Å; N199-D202 PolarHBondContact O-N 3.05Å; N199-D202 VanDerWaalsContact O-N 3.12Å; N199-Y234 PolarHBondContact ND2-O 2.92Å; N199-I236 HydrophobicContact CB-CD1 3.71Å; N199-I236 HydrophobicContact CB-CG1 3.95Å | ||
| 200 | P | 89.3 | Confident | 91.3 | Very high | 90 Ų | 90 | 51.1 Ų | 51.1 | 58% | 0.584 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -30.5 | 177.8 | -21.1 | 32.9 | 0 | 0 | 0 | 113.9 | Y198 D202 | Y198-P200 HydrophobicContact CD1-CG 4.32Å; Y198-P200 HydrophobicContact CE1-CB 4.32Å; Y198-P200 HydrophobicContact CE1-CG 4.2Å; Y198-P200 WeakPolarHBondContact O-CD 3.24Å; P200-D202 VanDerWaalsContact C-N 3.3Å |
| 201 | E | 88.7 | Confident | 91.4 | Very high | 175 Ų | 175 | 51 Ų | 51 | 82% | 0.818 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -19.4 | 178.2 | -60.6 | -62.3 | 146.3 | 0 | 0 | 112 | N199 | N199-E201 VanDerWaalsContact C-N 3.25Å; N199-E201 PolarHBondContact O-N 2.83Å; N199-E201 PolarHBondContact OD1-N 3.16Å; N199-E201 VanDerWaalsContact OD1-N 3.1Å |
| 202 | D | 90.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.011 | 26% | 0.263 | C | S | . | . | trans | -140.5 | 76 | 174.9 | -168.3 | -17.8 | 0 | 0 | 0 | 111.6 | N199 P200 T204 S205 K230 Y233 Y234 | N199-D202 HydrophobicContact CB-CB 4.44Å; N199-D202 CarbonylContact O-C 3.57Å; N199-D202 PolarHBondContact O-N 3.05Å; N199-D202 VanDerWaalsContact O-N 3.12Å; P200-D202 VanDerWaalsContact C-N 3.3Å; D202-T204 PolarHBondContact O-N 3.22Å; D202-T204 PolarHBondContact OD1-N 3.49Å; D202-T204 PolarHBondContact OD1-OG1 3.35Å; D202-S205 WeakPolarHBondContact O-CB 3.3Å; D202-S205 PolarHBondContact O-N 2.78Å; D202-S205 PolarHBondContact O-OG 2.9Å; D202-S205 PolarHBondContact OD1-N 3.29Å; D202-S205 VanDerWaalsContact OD1-N 3.16Å; D202-K230 IonicContact OD1-NZ 3.69Å; D202-K230 PolarHBondContact OD1-NZ 2.89Å; D202-K230 IonicContact OD2-NZ 2.77Å; D202-K230 PolarHBondContact OD2-NZ 2.83Å; D202-Y233 WeakPolarHBondContact OD2-CA 3.46Å; D202-Y234 PolarHBondContact OD2-N 3.09Å | ||
| 203 | P | 88.7 | Confident | 91.3 | Very high | 59 Ų | 59 | 54.5 Ų | 54.5 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.3 | -32.2 | -178 | -23.8 | 34 | 0 | 0 | 0 | 112.8 | Y198 S205 N206 | Y198-P203 HydrophobicContact CE2-CB 4.11Å; Y198-P203 WeakPolarHBondContact OH-CB 3.5Å; P203-S205 VanDerWaalsContact C-N 3.26Å; P203-S205 PolarHBondContact O-N 2.83Å; P203-N206 PolarHBondContact O-N 2.84Å |
| 204 | T | 89.2 | Confident | 91.2 | Very high | 61 Ų | 61 | 57.7 Ų | 57.7 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.9 | -26.1 | -177.3 | 50.5 | 0 | 0 | 0 | 0 | 113 | D202 N206 D207 T208 K230 | D202-T204 PolarHBondContact O-N 3.22Å; D202-T204 PolarHBondContact OD1-N 3.49Å; D202-T204 PolarHBondContact OD1-OG1 3.35Å; T204-N206 VanDerWaalsContact C-N 3.28Å; T204-N206 PolarHBondContact O-N 2.89Å; T204-D207 PolarHBondContact O-N 2.84Å; T204-T208 WeakPolarHBondContact O-CB 3.36Å; T204-T208 PolarHBondContact O-N 3.13Å; T204-T208 PolarHBondContact O-OG1 3.02Å; T204-K230 PolarHBondContact OG1-NZ 3.43Å |
| 205 | S | 89.7 | Confident | 91 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.1 | -39.9 | 178.2 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | D202 P203 D207 T208 F209 | D202-S205 WeakPolarHBondContact O-CB 3.3Å; D202-S205 PolarHBondContact O-N 2.78Å; D202-S205 PolarHBondContact O-OG 2.9Å; D202-S205 PolarHBondContact OD1-N 3.29Å; D202-S205 VanDerWaalsContact OD1-N 3.16Å; P203-S205 VanDerWaalsContact C-N 3.26Å; P203-S205 PolarHBondContact O-N 2.83Å; S205-D207 VanDerWaalsContact C-N 3.3Å; S205-D207 PolarHBondContact O-N 2.9Å; S205-T208 PolarHBondContact O-N 3.15Å; S205-F209 WeakPolarHBondContact O-CD2 3.14Å; S205-F209 PolarHBondContact O-N 2.83Å |
| 206 | N | 87.8 | Confident | 90.7 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.5 | -29.9 | -179.2 | -174.3 | 54 | 0 | 0 | 0 | 113.2 | Y198 P203 T204 | Y198-N206 HydrophobicContact CD2-CB 4.06Å; P203-N206 PolarHBondContact O-N 2.84Å; T204-N206 VanDerWaalsContact C-N 3.28Å; T204-N206 PolarHBondContact O-N 2.89Å |
| 207 | D | 88.5 | Confident | 90.4 | Very high | 95 Ų | 95 | 62.2 Ų | 62.2 | 51% | 0.508 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -88.1 | -22.4 | 176.8 | -67 | -27.6 | 0 | 0 | 0 | 112.4 | T204 S205 | T204-D207 PolarHBondContact O-N 2.84Å; S205-D207 VanDerWaalsContact C-N 3.3Å; S205-D207 PolarHBondContact O-N 2.9Å |
| 208 | T | 93.3 | Very high | 90.4 | Very high | 6 Ų | 6 | 60.6 Ų | 60.6 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -90.3 | -32.6 | -172.7 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | T204 S205 L221 R222 K223 L225 Y233 | T204-T208 WeakPolarHBondContact O-CB 3.36Å; T204-T208 PolarHBondContact O-N 3.13Å; T204-T208 PolarHBondContact O-OG1 3.02Å; S205-T208 PolarHBondContact O-N 3.15Å; T208-L221 HydrophobicContact CG2-CD1 4.02Å; T208-R222 WeakPolarHBondContact O-CA 3.41Å; T208-R222 WeakPolarHBondContact O-CB 3.42Å; T208-R222 PolarHBondContact O-N 2.94Å; T208-K223 PolarHBondContact O-N 2.9Å; T208-L225 HydrophobicContact CG2-CD2 3.61Å; T208-Y233 HydrophobicContact CG2-CE1 4.16Å |
| 209 | F | 94.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 152.4 | -177.6 | -53.8 | -73.6 | 0 | 0 | 0 | 112 | I171 I196 S205 V219 V220 L221 L225 Y233 V235 V258 | I171-F209 HydrophobicContact CD1-CD1 3.47Å; I171-F209 VanDerWaalsContact CD1-CD1 3.47Å; I171-F209 HydrophobicContact CD1-CE1 3.4Å; I171-F209 HydrophobicContact CD1-CZ 4.4Å; I171-F209 HydrophobicContact CG1-CD1 4.39Å; I196-F209 HydrophobicContact CD1-CB 3.87Å; I196-F209 WeakPolarHBondContact CD1-O 3.39Å; S205-F209 WeakPolarHBondContact O-CD2 3.14Å; S205-F209 PolarHBondContact O-N 2.83Å; F209-V219 HydrophobicContact CB-CG1 3.92Å; F209-V219 HydrophobicContact CD1-CG1 4.37Å; F209-V219 HydrophobicContact CG-CG1 4.39Å; F209-V220 WeakPolarHBondContact CA-O 3.41Å; F209-L221 HydrophobicContact CD1-CD1 4.09Å; F209-L221 HydrophobicContact CE1-CD1 3.7Å; F209-L225 HydrophobicContact CZ-CD2 4.44Å; F209-Y233 AromaticContact CE2-CD1 3.88Å; F209-Y233 HydrophobicContact CE2-CD1 3.88Å; F209-Y233 HydrophobicContact CE2-CD2 4.08Å; F209-Y233 AromaticContact CE2-CG 3.58Å; F209-Y233 HydrophobicContact CE2-CG 3.58Å; F209-Y233 HydrophobicContact CZ-CD2 4.04Å; F209-Y233 HydrophobicContact CZ-CG 4.03Å; F209-V235 HydrophobicContact CD2-CG2 3.42Å; F209-V235 VanDerWaalsContact CD2-CG2 3.42Å; F209-V235 HydrophobicContact CE2-CG2 3.84Å; F209-V235 HydrophobicContact CG-CG2 4.11Å; F209-V258 HydrophobicContact CE1-CG1 4.2Å; F209-V258 HydrophobicContact CZ-CB 4.12Å; F209-V258 HydrophobicContact CZ-CG1 3.92Å; F209-V258 HydrophobicContact CZ-CG2 4.32Å |
| 210 | E | 93.7 | Very high | 90.5 | Very high | 85 Ų | 85 | 55.3 Ų | 55.3 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.4 | 178.8 | -174.9 | 173.2 | 171.8 | 0 | 0 | 110.8 | P212 V220 R222 | E210-P212 WeakPolarHBondContact O-CD 3.18Å; E210-V220 PolarHBondContact N-O 3.41Å; E210-V220 PolarHBondContact O-N 2.9Å; E210-R222 HydrophobicContact CB-CB 4.38Å; E210-R222 WeakPolarHBondContact OE2-CD 2.89Å; E210-R222 IonicContact OE2-NE 3.84Å; E210-R222 PolarHBondContact OE2-NE 3.44Å |
| 211 | I | 92.8 | Very high | 90.7 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.077 | 27% | 0.273 | C | S | . | . | trans | -111.3 | 93.3 | 167.1 | -62 | 170.5 | 0 | 0 | 0 | 107.6 | I196 L213 V219 I237 | I196-I211 HydrophobicContact CD1-CG1 4.12Å; I196-I211 HydrophobicContact CG1-CD1 3.75Å; I196-I211 HydrophobicContact CG1-CG1 3.84Å; I211-L213 VanDerWaalsContact C-N 3.3Å; I211-L213 PolarHBondContact O-N 3.24Å; I211-V219 HydrophobicContact CD1-CG2 4.35Å; I211-V219 HydrophobicContact CG1-CG2 4.06Å; I211-I237 HydrophobicContact CD1-CD1 4.02Å; I211-I237 HydrophobicContact CD1-CG2 4.44Å | ||
| 212 | P | 89.4 | Confident | 90.9 | Very high | 73 Ų | 73 | 49.3 Ų | 49.3 | 47% | 0.474 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -69.7 | -28.1 | -176.4 | 24.8 | -32.6 | 0 | 0 | 0 | 112.8 | E210 V220 | E210-P212 WeakPolarHBondContact O-CD 3.18Å; P212-V220 HydrophobicContact CG-CB 4.35Å; P212-V220 HydrophobicContact CG-CG2 3.71Å |
| 213 | L | 90.1 | Very high | 90.9 | Very high | 110 Ų | 110 | 55.4 Ų | 55.4 | 58% | 0.576 | 29% | 0.286 | S | S | * | . | trans | -120.5 | 92.5 | -179.9 | -68.2 | 176.2 | 0 | 0 | 0 | 110.7 | I211 L215 T216 G217 | I211-L213 VanDerWaalsContact C-N 3.3Å; I211-L213 PolarHBondContact O-N 3.24Å; L213-L215 PolarHBondContact O-N 3.19Å; L213-L215 VanDerWaalsContact O-N 3.1Å; L213-T216 HydrophobicContact CB-CG2 4.34Å; L213-T216 WeakPolarHBondContact CB-OG1 3.26Å; L213-T216 PolarHBondContact O-N 2.86Å; L213-T216 PolarHBondContact O-OG1 2.79Å; L213-G217 PolarHBondContact O-N 2.82Å | ||
| 214 | M | 90.1 | Very high | 91 | Very high | 98 Ų | 98 | 62.5 Ų | 62.5 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.7 | -173.7 | -59 | 174.8 | 178.9 | 0 | 0 | 113.9 | E193 Y194 V195 T216 | E193-M214 HydrophobicContact CB-CB 4.14Å; Y194-M214 WeakPolarHBondContact CD2-O 3.38Å; Y194-M214 PolarHBondContact N-O 2.91Å; Y194-M214 WeakPolarHBondContact O-CA 3.34Å; Y194-M214 WeakPolarHBondContact O-CB 3.06Å; V195-M214 HydrophobicContact CG1-CE 4.18Å; V195-M214 HydrophobicContact CG1-CG 4.25Å; V195-M214 HydrophobicContact CG1-SD 4.15Å; M214-T216 VanDerWaalsContact C-N 3.33Å; M214-T216 PolarHBondContact O-N 2.79Å |
| 215 | L | 88.2 | Confident | 91.2 | Very high | 117 Ų | 117 | 60.2 Ų | 60.2 | 61% | 0.613 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -21.9 | 179.5 | -66.7 | 171.7 | 0 | 0 | 0 | 113.9 | L213 | L213-L215 PolarHBondContact O-N 3.19Å; L213-L215 VanDerWaalsContact O-N 3.1Å |
| 216 | T | 87.5 | Confident | 91.2 | Very high | 51 Ų | 51 | 62.3 Ų | 62.3 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -26.8 | -179.1 | 63.3 | 0 | 0 | 0 | 0 | 112.5 | L213 M214 N218 | L213-T216 HydrophobicContact CB-CG2 4.34Å; L213-T216 WeakPolarHBondContact CB-OG1 3.26Å; L213-T216 PolarHBondContact O-N 2.86Å; L213-T216 PolarHBondContact O-OG1 2.79Å; M214-T216 VanDerWaalsContact C-N 3.33Å; M214-T216 PolarHBondContact O-N 2.79Å; T216-N218 PolarHBondContact O-N 2.89Å; T216-N218 PolarHBondContact OG1-N 2.82Å |
| 217 | G | 88.6 | Confident | 91.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 6.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F175 Y194 L213 V219 | F175-G217 VanDerWaalsContact CD2-O 3.27Å; F175-G217 WeakPolarHBondContact CD2-O 3.18Å; Y194-G217 VanDerWaalsContact CD2-CA 3.5Å; L213-G217 PolarHBondContact O-N 2.82Å; G217-V219 PolarHBondContact O-N 2.85Å; G217-V219 VanDerWaalsContact O-N 3.13Å |
| 218 | N | 91.8 | Very high | 91.3 | Very high | 43 Ų | 43 | 57.2 Ų | 57.2 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | trans | -60.8 | 119.3 | -178.5 | -70.4 | -9 | 0 | 0 | 0 | 110.9 | T170 F172 T216 | T170-N218 HydrophobicContact CG2-CB 3.91Å; F172-N218 WeakPolarHBondContact O-CA 3.46Å; T216-N218 PolarHBondContact O-N 2.89Å; T216-N218 PolarHBondContact OG1-N 2.82Å | ||
| 219 | V | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126.9 | 179.7 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | T170 I171 F172 F175 F209 I211 G217 I237 L256 | T170-V219 CarbonylContact C-O 3.58Å; T170-V219 WeakPolarHBondContact CA-O 3.41Å; I171-V219 HydrophobicContact CD1-CG1 4.03Å; I171-V219 HydrophobicContact CG1-CB 4.17Å; I171-V219 HydrophobicContact CG1-CG1 4.03Å; I171-V219 VanDerWaalsContact CG1-O 3.3Å; I171-V219 WeakPolarHBondContact CG1-O 3.18Å; I171-V219 PolarHBondContact N-O 2.91Å; F172-V219 HydrophobicContact CB-CB 4.13Å; F172-V219 HydrophobicContact CB-CG2 4.34Å; F172-V219 HydrophobicContact CD1-CG2 4.34Å; F172-V219 PolarHBondContact N-O 3.3Å; F172-V219 PolarHBondContact O-N 3.06Å; F175-V219 HydrophobicContact CE2-CG2 4.09Å; F209-V219 HydrophobicContact CB-CG1 3.92Å; F209-V219 HydrophobicContact CD1-CG1 4.37Å; F209-V219 HydrophobicContact CG-CG1 4.39Å; I211-V219 HydrophobicContact CD1-CG2 4.35Å; I211-V219 HydrophobicContact CG1-CG2 4.06Å; G217-V219 PolarHBondContact O-N 2.85Å; G217-V219 VanDerWaalsContact O-N 3.13Å; V219-I237 HydrophobicContact CG2-CD1 4.2Å; V219-L256 HydrophobicContact CB-CD2 4.32Å; V219-L256 HydrophobicContact CG1-CD2 4.36Å; V219-L256 HydrophobicContact CG2-CD2 3.82Å |
| 220 | V | 93.6 | Very high | 90.7 | Very high | 21 Ų | 21 | 64.8 Ų | 64.8 | 13% | 0.127 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 142.2 | -174.6 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | G168 T169 F209 E210 P212 R222 | G168-V220 VanDerWaalsContact C-CG1 3.48Å; G168-V220 WeakPolarHBondContact O-CG1 3.48Å; T169-V220 WeakPolarHBondContact O-CA 3.08Å; F209-V220 WeakPolarHBondContact CA-O 3.41Å; E210-V220 PolarHBondContact N-O 3.41Å; E210-V220 PolarHBondContact O-N 2.9Å; P212-V220 HydrophobicContact CG-CB 4.35Å; P212-V220 HydrophobicContact CG-CG2 3.71Å; V220-R222 PolarHBondContact O-N 2.81Å |
| 221 | L | 94.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 121.4 | 174.8 | -173.1 | 67.1 | 0 | 0 | 0 | 110.6 | T165 G168 T169 I171 T208 F209 K223 L225 | T165-L221 HydrophobicContact CG2-CD2 4.25Å; T165-L221 WeakPolarHBondContact O-CD2 3.31Å; G168-L221 PolarHBondContact N-O 2.94Å; T169-L221 PolarHBondContact O-N 3.01Å; I171-L221 HydrophobicContact CG2-CB 4.12Å; T208-L221 HydrophobicContact CG2-CD1 4.02Å; F209-L221 HydrophobicContact CD1-CD1 4.09Å; F209-L221 HydrophobicContact CE1-CD1 3.7Å; L221-K223 WeakPolarHBondContact CD1-O 3.14Å; L221-K223 VanDerWaalsContact CG-O 3.23Å; L221-K223 WeakPolarHBondContact CG-O 3.38Å; L221-L225 HydrophobicContact CD1-CD1 4.03Å; L221-L225 HydrophobicContact CD1-CD2 3.83Å; L221-L225 HydrophobicContact CD1-CG 3.8Å; L221-L225 HydrophobicContact CD2-CD1 4.21Å; L221-L225 HydrophobicContact CD2-CG 4.18Å |
| 222 | R | 92 | Very high | 90.6 | Very high | 138 Ų | 138 | 68.2 Ų | 68.2 | 52% | 0.521 | 33% | 0.325 | S | S | . | . | trans | -100.2 | -28.2 | -177.7 | -168.9 | -178 | -174.2 | -159.6 | -1.1 | 113.3 | V167 T208 E210 V220 | V167-R222 WeakPolarHBondContact CG1-O 3.45Å; T208-R222 WeakPolarHBondContact O-CA 3.41Å; T208-R222 WeakPolarHBondContact O-CB 3.42Å; T208-R222 PolarHBondContact O-N 2.94Å; E210-R222 HydrophobicContact CB-CB 4.38Å; E210-R222 WeakPolarHBondContact OE2-CD 2.89Å; E210-R222 IonicContact OE2-NE 3.84Å; E210-R222 PolarHBondContact OE2-NE 3.44Å; V220-R222 PolarHBondContact O-N 2.81Å | ||
| 223 | K | 91.7 | Very high | 90.8 | Very high | 131 Ų | 131 | 65.6 Ų | 65.6 | 57% | 0.57 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -128.8 | 149.2 | -179.9 | -165.1 | 178.2 | 178.4 | -174.3 | 0 | 110 | T208 L221 | T208-K223 PolarHBondContact O-N 2.9Å; L221-K223 WeakPolarHBondContact CD1-O 3.14Å; L221-K223 VanDerWaalsContact CG-O 3.23Å; L221-K223 WeakPolarHBondContact CG-O 3.38Å |
| 224 | R | 91.3 | Very high | 91 | Very high | 208 Ų | 208 | 65.3 Ų | 65.3 | 79% | 0.785 | 30% | 0.298 | S | S | * | . | trans | -60.4 | 142 | 173.2 | -70.5 | -170.6 | 177.3 | -165.2 | -2.6 | 110.2 | V167 | V167-R224 HydrophobicContact CG2-CG 3.76Š| ||
| 225 | L | 92.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | trans | -88.9 | 154.9 | 173.9 | -59 | 172.3 | 0 | 0 | 0 | 108.6 | V161 E163 T208 F209 L221 Y233 V260 | V161-L225 HydrophobicContact CB-CD1 4.27Å; V161-L225 HydrophobicContact CG1-CD1 3.42Å; V161-L225 VanDerWaalsContact CG1-CD1 3.42Å; V161-L225 HydrophobicContact CG2-CD1 3.84Å; E163-L225 HydrophobicContact CB-CB 4.09Å; T208-L225 HydrophobicContact CG2-CD2 3.61Å; F209-L225 HydrophobicContact CZ-CD2 4.44Å; L221-L225 HydrophobicContact CD1-CD1 4.03Å; L221-L225 HydrophobicContact CD1-CD2 3.83Å; L221-L225 HydrophobicContact CD1-CG 3.8Å; L221-L225 HydrophobicContact CD2-CD1 4.21Å; L221-L225 HydrophobicContact CD2-CG 4.18Å; L225-Y233 HydrophobicContact CD2-CE2 3.8Å; L225-V260 HydrophobicContact CB-CG1 4.18Å; L225-V260 HydrophobicContact CD1-CG1 4.26Å; L225-V260 HydrophobicContact CD1-CG2 4.22Å; L225-V260 HydrophobicContact CD2-CG2 4.34Å | ||
| 226 | N | 89.7 | Confident | 91.5 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | trans | -143.8 | 118.1 | 168.7 | 170.5 | -89.6 | 0 | 0 | 0 | 106.7 | E163 E228 D229 K230 | E163-N226 WeakPolarHBondContact OE2-CA 3.3Å; N226-E228 VanDerWaalsContact C-N 3.33Å; N226-E228 PolarHBondContact ND2-OE2 2.99Å; N226-E228 WeakPolarHBondContact OD1-CB 3.46Å; N226-E228 PolarHBondContact OD1-N 2.74Å; N226-E228 PolarHBondContact OD1-OE2 2.55Å; N226-D229 HydrophobicContact CB-CB 4.49Å; N226-D229 PolarHBondContact O-N 2.83Å; N226-D229 WeakPolarHBondContact OD1-CB 3.33Å; N226-D229 PolarHBondContact OD1-N 2.93Å; N226-K230 PolarHBondContact O-N 2.95Å | ||
| 227 | Y | 91.2 | Very high | 91.8 | Very high | 28 Ų | 28 | 54 Ų | 54 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -35.8 | -174.4 | -176.4 | -93.4 | 0 | 0 | 0 | 111.7 | E163 D229 K230 T231 V260 D262 R316 N317 | E163-Y227 WeakPolarHBondContact OE1-CB 3.41Å; E163-Y227 WeakPolarHBondContact OE2-CB 3.37Å; E163-Y227 PolarHBondContact OE2-N 2.96Å; Y227-D229 PolarHBondContact O-N 3.17Å; Y227-K230 PolarHBondContact O-N 2.87Å; Y227-T231 HydrophobicContact CD1-CG2 4.2Å; Y227-T231 HydrophobicContact CD2-CG2 3.82Å; Y227-T231 HydrophobicContact CE1-CG2 3.93Å; Y227-T231 HydrophobicContact CE2-CG2 3.53Å; Y227-T231 HydrophobicContact CG-CG2 4.14Å; Y227-T231 WeakPolarHBondContact O-CG2 3.45Å; Y227-V260 HydrophobicContact CD2-CB 4.18Å; Y227-V260 HydrophobicContact CD2-CG1 4.13Å; Y227-V260 WeakPolarHBondContact CD2-O 3.13Å; Y227-V260 WeakPolarHBondContact CE2-O 3.33Å; Y227-D262 HydrophobicContact CD1-CB 3.6Å; Y227-D262 VanDerWaalsContact CD1-CG 3.41Å; Y227-D262 WeakPolarHBondContact CD1-OD2 3.35Å; Y227-D262 HydrophobicContact CD2-CB 3.81Å; Y227-D262 HydrophobicContact CE1-CB 3.77Å; Y227-D262 VanDerWaalsContact CE1-OD2 3.31Å; Y227-D262 WeakPolarHBondContact CE1-OD2 3.19Å; Y227-D262 HydrophobicContact CE2-CB 3.95Å; Y227-D262 HydrophobicContact CG-CB 3.64Å; Y227-R316 HydrophobicContact CD1-CB 4.39Å; Y227-R316 HydrophobicContact CE1-CB 4.01Å; Y227-N317 HydrophobicContact CE1-CB 4.12Å; Y227-N317 PolarHBondContact OH-ND2 3.01Å |
| 228 | E | 87.7 | Confident | 92 | Very high | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -27.5 | -176.7 | -67.2 | 55.8 | -107.5 | 0 | 0 | 112.1 | N226 L266 R316 | N226-E228 VanDerWaalsContact C-N 3.33Å; N226-E228 PolarHBondContact ND2-OE2 2.99Å; N226-E228 WeakPolarHBondContact OD1-CB 3.46Å; N226-E228 PolarHBondContact OD1-N 2.74Å; N226-E228 PolarHBondContact OD1-OE2 2.55Å; E228-L266 HydrophobicContact CG-CD1 3.96Å; E228-R316 PolarHBondContact O-NH1 3.16Å; E228-R316 PolarHBondContact O-NH2 2.92Å |
| 229 | D | 86.4 | Confident | 92.1 | Very high | 107 Ų | 107 | 54 Ų | 54 | 57% | 0.572 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -47.7 | 178.8 | -77.3 | -11.7 | 0 | 0 | 0 | 112.5 | N226 Y227 R280 | N226-D229 HydrophobicContact CB-CB 4.49Å; N226-D229 PolarHBondContact O-N 2.83Å; N226-D229 WeakPolarHBondContact OD1-CB 3.33Å; N226-D229 PolarHBondContact OD1-N 2.93Å; Y227-D229 PolarHBondContact O-N 3.17Å; D229-R280 IonicContact OD1-CZ 3.84Å; D229-R280 VanDerWaalsContact OD1-CZ 3.27Å; D229-R280 IonicContact OD1-NH1 3.9Å; D229-R280 PolarHBondContact OD1-NH1 3.32Å; D229-R280 IonicContact OD1-NH2 2.62Å; D229-R280 PolarHBondContact OD1-NH2 3.39Å |
| 230 | K | 88.3 | Confident | 92 | Very high | 62 Ų | 62 | 54.6 Ų | 54.6 | 27% | 0.27 | 24% | 0.24 | S | C | . | . | trans | -154.2 | 120.9 | -178.3 | -174.6 | 163.3 | 176.2 | 165.4 | 0 | 113.5 | D202 T204 N226 Y227 R232 Y233 | D202-K230 IonicContact OD1-NZ 3.69Å; D202-K230 PolarHBondContact OD1-NZ 2.89Å; D202-K230 IonicContact OD2-NZ 2.77Å; D202-K230 PolarHBondContact OD2-NZ 2.83Å; T204-K230 PolarHBondContact OG1-NZ 3.43Å; N226-K230 PolarHBondContact O-N 2.95Å; Y227-K230 PolarHBondContact O-N 2.87Å; K230-R232 WeakPolarHBondContact CE-O 3.06Å; K230-Y233 HydrophobicContact CD-CD1 4.24Å; K230-Y233 HydrophobicContact CD-CE1 3.82Å; K230-Y233 HydrophobicContact CG-CE1 4.38Å; K230-Y233 HydrophobicContact CG-CE2 4.23Å | ||
| 231 | T | 90.5 | Very high | 92 | Very high | 65 Ų | 65 | 53.6 Ų | 53.6 | 40% | 0.399 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -95.6 | -12.4 | -172.9 | 59.3 | 0 | 0 | 0 | 0 | 115.4 | Y227 V260 | Y227-T231 HydrophobicContact CD1-CG2 4.2Å; Y227-T231 HydrophobicContact CD2-CG2 3.82Å; Y227-T231 HydrophobicContact CE1-CG2 3.93Å; Y227-T231 HydrophobicContact CE2-CG2 3.53Å; Y227-T231 HydrophobicContact CG-CG2 4.14Å; Y227-T231 WeakPolarHBondContact O-CG2 3.45Å; T231-V260 PolarHBondContact O-N 2.99Å |
| 232 | R | 93.4 | Very high | 91.8 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 40% | 0.404 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 137.8 | -176 | 178.1 | 174.3 | -67.8 | 177.3 | -4.7 | 111.9 | K230 Y234 T257 V258 D259 | K230-R232 WeakPolarHBondContact CE-O 3.06Å; R232-Y234 WeakPolarHBondContact CD-OH 3.36Å; R232-Y234 HydrophobicContact CG-CE1 4.32Å; R232-Y234 HydrophobicContact CG-CE2 4.16Å; R232-T257 HydrophobicContact CG-CG2 4.03Å; R232-V258 WeakPolarHBondContact CA-O 3.22Å; R232-D259 VanDerWaalsContact CG-OD1 3.31Å; R232-D259 WeakPolarHBondContact CG-OD1 3.33Å; R232-D259 IonicContact CZ-OD1 3.38Å; R232-D259 IonicContact CZ-OD2 2.93Å; R232-D259 IonicContact NE-OD1 3.65Å; R232-D259 PolarHBondContact NE-OD1 3.06Å; R232-D259 IonicContact NE-OD2 3.56Å; R232-D259 IonicContact NH2-OD1 4Å; R232-D259 PolarHBondContact NH2-OD1 2.53Å; R232-D259 IonicContact NH2-OD2 2.83Å; R232-D259 PolarHBondContact NH2-OD2 2.69Å |
| 233 | Y | 94.7 | Very high | 91.6 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 7% | 0.071 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 142.5 | 175.3 | -64.8 | -96.3 | 0 | 0 | 0 | 111.9 | D202 T208 F209 L225 K230 T257 V258 V260 | D202-Y233 WeakPolarHBondContact OD2-CA 3.46Å; T208-Y233 HydrophobicContact CG2-CE1 4.16Å; F209-Y233 AromaticContact CE2-CD1 3.88Å; F209-Y233 HydrophobicContact CE2-CD1 3.88Å; F209-Y233 HydrophobicContact CE2-CD2 4.08Å; F209-Y233 AromaticContact CE2-CG 3.58Å; F209-Y233 HydrophobicContact CE2-CG 3.58Å; F209-Y233 HydrophobicContact CZ-CD2 4.04Å; F209-Y233 HydrophobicContact CZ-CG 4.03Å; L225-Y233 HydrophobicContact CD2-CE2 3.8Å; K230-Y233 HydrophobicContact CD-CD1 4.24Å; K230-Y233 HydrophobicContact CD-CE1 3.82Å; K230-Y233 HydrophobicContact CG-CE1 4.38Å; K230-Y233 HydrophobicContact CG-CE2 4.23Å; Y233-T257 WeakPolarHBondContact O-CA 3.13Å; Y233-V258 PolarHBondContact N-O 2.91Å; Y233-V258 PolarHBondContact O-N 3.03Å; Y233-V260 HydrophobicContact CD2-CG2 4.01Å; Y233-V260 HydrophobicContact CE2-CG2 3.73Å |
| 234 | Y | 94.3 | Very high | 91.1 | Very high | 104 Ų | 104 | 54 Ų | 54 | 41% | 0.408 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 94.9 | 175.6 | -59.9 | -77.8 | 0 | 0 | 0 | 110.3 | N199 D202 R232 T257 | N199-Y234 PolarHBondContact ND2-O 2.92Å; D202-Y234 PolarHBondContact OD2-N 3.09Å; R232-Y234 WeakPolarHBondContact CD-OH 3.36Å; R232-Y234 HydrophobicContact CG-CE1 4.32Å; R232-Y234 HydrophobicContact CG-CE2 4.16Å; Y234-T257 HydrophobicContact CD1-CG2 4.23Å; Y234-T257 HydrophobicContact CE1-CG2 4.02Å |
| 235 | V | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 121.1 | -177.9 | -168.7 | 0 | 0 | 0 | 0 | 109.2 | I196 F209 I237 L256 V258 | I196-V235 HydrophobicContact CD1-CG1 3.98Å; I196-V235 HydrophobicContact CG1-CG1 4.03Å; I196-V235 HydrophobicContact CG2-CG1 3.77Å; F209-V235 HydrophobicContact CD2-CG2 3.42Å; F209-V235 VanDerWaalsContact CD2-CG2 3.42Å; F209-V235 HydrophobicContact CE2-CG2 3.84Å; F209-V235 HydrophobicContact CG-CG2 4.11Å; V235-I237 HydrophobicContact CB-CD1 4.48Å; V235-I237 HydrophobicContact CG1-CD1 3.73Å; V235-L256 HydrophobicContact CB-CB 4.3Å; V235-L256 PolarHBondContact N-O 2.9Å; V235-L256 PolarHBondContact O-N 3.48Å; V235-V258 HydrophobicContact CG2-CG2 4.24Å |
| 236 | I | 93.9 | Very high | 90.1 | Very high | 28 Ų | 28 | 53 Ų | 53 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 118 | 174.3 | -59.9 | 175.2 | 0 | 0 | 0 | 108.2 | Q197 N199 T253 T255 | Q197-I236 HydrophobicContact CB-CB 4.17Å; Q197-I236 HydrophobicContact CB-CG2 3.88Å; Q197-I236 HydrophobicContact CG-CG2 4.47Å; Q197-I236 PolarHBondContact N-O 2.8Å; N199-I236 HydrophobicContact CB-CD1 3.71Å; N199-I236 HydrophobicContact CB-CG1 3.95Å; I236-T253 HydrophobicContact CG2-CG2 4.22Å; I236-T255 HydrophobicContact CG1-CG2 4.39Å |
| 237 | I | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.5 | 178.2 | -51.9 | -66.8 | 0 | 0 | 0 | 107.9 | F152 F175 Y194 I196 I211 V219 V235 T253 T254 L256 | F152-I237 HydrophobicContact CZ-CG2 4.15Å; F175-I237 HydrophobicContact CE2-CD1 4.38Å; F175-I237 HydrophobicContact CE2-CG1 4.11Å; F175-I237 HydrophobicContact CE2-CG2 3.92Å; F175-I237 HydrophobicContact CZ-CB 4.15Å; F175-I237 HydrophobicContact CZ-CG1 3.82Å; F175-I237 HydrophobicContact CZ-CG2 3.89Å; Y194-I237 HydrophobicContact CD1-CG2 4.09Å; I196-I237 HydrophobicContact CG1-CD1 4.07Å; I211-I237 HydrophobicContact CD1-CD1 4.02Å; I211-I237 HydrophobicContact CD1-CG2 4.44Å; V219-I237 HydrophobicContact CG2-CD1 4.2Å; V235-I237 HydrophobicContact CB-CD1 4.48Å; V235-I237 HydrophobicContact CG1-CD1 3.73Å; I237-T253 CarbonylContact O-C 3.56Å; I237-T253 VanDerWaalsContact O-CA 3.24Å; I237-T253 WeakPolarHBondContact O-CA 3.5Å; I237-T254 HydrophobicContact CB-CG2 4.02Å; I237-T254 PolarHBondContact N-O 3.16Å; I237-T254 PolarHBondContact O-N 3.05Å; I237-L256 HydrophobicContact CD1-CB 4.49Å; I237-L256 HydrophobicContact CG1-CB 3.95Å |
| 238 | Q | 93.2 | Very high | 89.5 | Confident | 42 Ų | 42 | 61.6 Ų | 61.6 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.2 | 177.7 | -177.2 | -177.8 | -16.3 | 0 | 0 | 108.9 | Y194 V195 Q197 N240 T252 T253 | Y194-Q238 WeakPolarHBondContact CA-O 3.43Å; V195-Q238 HydrophobicContact CG2-CB 3.94Å; V195-Q238 HydrophobicContact CG2-CG 4.36Å; V195-Q238 PolarHBondContact N-O 2.99Å; V195-Q238 PolarHBondContact O-N 3.13Å; Q197-Q238 HydrophobicContact CB-CB 4.28Å; Q238-N240 VanDerWaalsContact CG-OD1 3.3Å; Q238-N240 WeakPolarHBondContact CG-OD1 3.5Å; Q238-N240 PolarHBondContact NE2-OD1 3.39Å; Q238-T252 WeakPolarHBondContact CA-O 3.19Å; Q238-T253 HydrophobicContact CB-CG2 4.01Å; Q238-T253 HydrophobicContact CG-CG2 4.01Å |
| 239 | A | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.9 | 169 | 0 | 0 | 0 | 0 | 0 | 108.8 | P150 F152 A181 I192 Y194 T251 T252 | P150-A239 HydrophobicContact CB-CB 4.29Å; F152-A239 HydrophobicContact CE1-CB 4.33Å; F152-A239 HydrophobicContact CE2-CB 3.68Å; F152-A239 HydrophobicContact CZ-CB 3.51Å; A181-A239 HydrophobicContact CB-CB 3.63Å; I192-A239 HydrophobicContact CG2-CB 3.79Å; Y194-A239 HydrophobicContact CD1-CB 3.95Å; Y194-A239 HydrophobicContact CE1-CB 3.84Å; A239-T251 CarbonylContact O-C 3.45Å; A239-T251 VanDerWaalsContact O-CA 3.27Å; A239-T251 WeakPolarHBondContact O-CA 3.47Å; A239-T252 PolarHBondContact N-O 3.1Å; A239-T252 PolarHBondContact O-N 2.75Å |
| 240 | N | 92.4 | Very high | 89.8 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 8% | 0.075 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.9 | 176.2 | -49.4 | -54.6 | 0 | 0 | 0 | 109.2 | I192 E193 Q238 T251 | I192-N240 CarbonylContact C-O 3.58Å; I192-N240 WeakPolarHBondContact CA-O 3.37Å; E193-N240 HydrophobicContact CG-CB 3.86Å; E193-N240 PolarHBondContact N-O 3.35Å; E193-N240 PolarHBondContact O-N 3.02Å; Q238-N240 VanDerWaalsContact CG-OD1 3.3Å; Q238-N240 WeakPolarHBondContact CG-OD1 3.5Å; Q238-N240 PolarHBondContact NE2-OD1 3.39Å; N240-T251 HydrophobicContact CB-CG2 4.21Å; N240-T251 VanDerWaalsContact OD1-CB 3.29Å; N240-T251 WeakPolarHBondContact OD1-CB 3.07Å; N240-T251 WeakPolarHBondContact OD1-CG2 3.31Å |
| 241 | D | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 172.4 | 162.2 | 67.1 | 47.2 | 0 | 0 | 0 | 111.5 | N146 P150 N189 Q191 A243 R249 R250 | N146-D241 PolarHBondContact ND2-OD2 3.41Å; N146-D241 PolarHBondContact OD1-OD2 3.4Å; P150-D241 HydrophobicContact CG-CB 4.11Å; N189-D241 WeakPolarHBondContact O-CB 3.45Å; Q191-D241 CarbonylContact O-C 3.55Å; Q191-D241 WeakPolarHBondContact O-CA 3.42Å; D241-A243 WeakPolarHBondContact OD1-CB 3.37Å; D241-A243 PolarHBondContact OD1-N 2.78Å; D241-R249 VanDerWaalsContact OD1-CA 3.24Å; D241-R249 WeakPolarHBondContact OD1-CA 3.26Å; D241-R249 WeakPolarHBondContact OD1-CB 3.42Å; D241-R249 WeakPolarHBondContact OD1-CG 3.47Å; D241-R250 PolarHBondContact N-O 3.44Å; D241-R250 VanDerWaalsContact N-O 3.1Å; D241-R250 WeakPolarHBondContact OD2-CA 3.4Å; D241-R250 VanDerWaalsContact OD2-CB 3.23Å; D241-R250 WeakPolarHBondContact OD2-CB 3.43Å; D241-R250 PolarHBondContact OD2-N 3.46Å |
| 242 | R | 90.4 | Very high | 90.2 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 34% | 0.336 | 29% | 0.294 | S | S | . | . | trans | -114.5 | 40 | 178.2 | -63.8 | 177.1 | 76.2 | -144.4 | 0 | 111.8 | P188 Q191 E193 Q244 | P188-R242 WeakPolarHBondContact CB-O 3.11Å; P188-R242 CarbonylContact O-C 3.56Å; P188-R242 VanDerWaalsContact O-CA 3.27Å; P188-R242 WeakPolarHBondContact O-CA 3.45Å; P188-R242 VanDerWaalsContact O-CB 3.28Å; P188-R242 WeakPolarHBondContact O-CB 3.46Å; P188-R242 PolarHBondContact O-N 2.87Å; P188-R242 VanDerWaalsContact O-N 3.13Å; Q191-R242 HydrophobicContact CB-CB 4.32Å; Q191-R242 HydrophobicContact CB-CG 4.43Å; Q191-R242 VanDerWaalsContact O-CG 3.27Å; Q191-R242 WeakPolarHBondContact O-CG 3.14Å; Q191-R242 PolarHBondContact O-N 3.07Å; E193-R242 HydrophobicContact CB-CG 4.42Å; E193-R242 HydrophobicContact CG-CG 4.2Å; E193-R242 IonicContact OE2-NE 3.09Å; R242-Q244 PolarHBondContact O-N 3.31Å | ||
| 243 | A | 87.5 | Confident | 90.2 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -51.1 | 137.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | N146 N189 D241 N245 E248 R249 | N146-A243 HydrophobicContact CB-CB 4.22Å; N189-A243 WeakPolarHBondContact OD1-CA 3.33Å; D241-A243 WeakPolarHBondContact OD1-CB 3.37Å; D241-A243 PolarHBondContact OD1-N 2.78Å; A243-N245 VanDerWaalsContact C-N 3.26Å; A243-N245 PolarHBondContact O-N 3.11Å; A243-E248 HydrophobicContact CB-CB 4.44Å; A243-R249 HydrophobicContact CB-CG 3.91Å; A243-R249 PolarHBondContact O-NE 2.94Å | ||
| 244 | Q | 82.5 | Confident | 90.2 | Very high | 190 Ų | 190 | 61 Ų | 61 | 89% | 0.888 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -61.3 | -37.2 | -175.5 | -84.9 | -171 | -19.8 | 0 | 0 | 112.3 | R242 | R242-Q244 PolarHBondContact O-N 3.31Š|
| 245 | N | 82.1 | Confident | 90.1 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -90.8 | 116.1 | 176.5 | -170 | 2.8 | 0 | 0 | 0 | 108.9 | A243 N247 E248 R249 | A243-N245 VanDerWaalsContact C-N 3.26Å; A243-N245 PolarHBondContact O-N 3.11Å; N245-N247 PolarHBondContact O-N 3.05Å; N245-E248 HydrophobicContact CB-CB 4.26Å; N245-E248 HydrophobicContact CB-CG 4.15Å; N245-E248 PolarHBondContact ND2-OE1 2.89Å; N245-E248 PolarHBondContact O-N 2.92Å; N245-R249 PolarHBondContact O-N 3.29Å |
| 246 | L | 80 | Confident | 90.2 | Very high | 126 Ų | 126 | 58.7 Ų | 58.7 | 66% | 0.66 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -54.7 | -30 | -178 | -74.5 | 163.3 | 0 | 0 | 0 | 113.2 | E248 | L246-E248 VanDerWaalsContact C-N 3.3Š|
| 247 | N | 83.4 | Confident | 90.2 | Very high | 151 Ų | 151 | 58.5 Ų | 58.5 | 81% | 0.807 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -77.9 | -15 | -179.4 | -61.7 | -16.9 | 0 | 0 | 0 | 113.6 | N245 | N245-N247 PolarHBondContact O-N 3.05Š|
| 248 | E | 85 | Confident | 90.2 | Very high | 103 Ų | 103 | 58.5 Ų | 58.5 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -96.5 | -8.2 | 178.1 | -70.8 | 166.7 | -155 | 0 | 0 | 111.9 | N146 A243 N245 L246 R250 | N146-E248 PolarHBondContact ND2-O 2.92Å; A243-E248 HydrophobicContact CB-CB 4.44Å; N245-E248 HydrophobicContact CB-CB 4.26Å; N245-E248 HydrophobicContact CB-CG 4.15Å; N245-E248 PolarHBondContact ND2-OE1 2.89Å; N245-E248 PolarHBondContact O-N 2.92Å; L246-E248 VanDerWaalsContact C-N 3.3Å; E248-R250 PolarHBondContact O-N 3.08Å |
| 249 | R | 89.1 | Confident | 90.3 | Very high | 79 Ų | 79 | 57.5 Ų | 57.5 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | trans | -63.8 | 133.4 | 179 | -68.7 | -171.7 | 175 | -161.4 | -8.4 | 111.4 | E193 D241 A243 N245 | E193-R249 IonicContact OE1-CZ 3.86Å; E193-R249 IonicContact OE1-NH1 2.67Å; E193-R249 PolarHBondContact OE1-NH1 3.16Å; D241-R249 VanDerWaalsContact OD1-CA 3.24Å; D241-R249 WeakPolarHBondContact OD1-CA 3.26Å; D241-R249 WeakPolarHBondContact OD1-CB 3.42Å; D241-R249 WeakPolarHBondContact OD1-CG 3.47Å; A243-R249 HydrophobicContact CB-CG 3.91Å; A243-R249 PolarHBondContact O-NE 2.94Å; N245-R249 PolarHBondContact O-N 3.29Å | ||
| 250 | R | 91.2 | Very high | 90.2 | Very high | 92 Ų | 92 | 57.8 Ų | 57.8 | 35% | 0.347 | 29% | 0.29 | S | S | . | . | trans | -108.9 | 150.1 | 175.7 | -64 | 165.6 | 169.9 | -119.5 | 7.7 | 109.1 | N146 D147 N148 S149 D241 E248 | N146-R250 PolarHBondContact O-NE 3.43Å; D147-R250 VanDerWaalsContact C-CZ 3.43Å; D147-R250 PolarHBondContact O-NH1 2.96Å; D147-R250 PolarHBondContact O-NH2 2.87Å; N148-R250 WeakPolarHBondContact O-CD 3.48Å; S149-R250 WeakPolarHBondContact OG-CB 3.37Å; S149-R250 PolarHBondContact OG-NH1 2.91Å; D241-R250 PolarHBondContact N-O 3.44Å; D241-R250 VanDerWaalsContact N-O 3.1Å; D241-R250 WeakPolarHBondContact OD2-CA 3.4Å; D241-R250 VanDerWaalsContact OD2-CB 3.23Å; D241-R250 WeakPolarHBondContact OD2-CB 3.43Å; D241-R250 PolarHBondContact OD2-N 3.46Å; E248-R250 PolarHBondContact O-N 3.08Å | ||
| 251 | T | 93.2 | Very high | 90.2 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142.9 | -168.1 | 71.2 | 0 | 0 | 0 | 0 | 109.6 | A239 N240 | A239-T251 CarbonylContact O-C 3.45Å; A239-T251 VanDerWaalsContact O-CA 3.27Å; A239-T251 WeakPolarHBondContact O-CA 3.47Å; N240-T251 HydrophobicContact CB-CG2 4.21Å; N240-T251 VanDerWaalsContact OD1-CB 3.29Å; N240-T251 WeakPolarHBondContact OD1-CB 3.07Å; N240-T251 WeakPolarHBondContact OD1-CG2 3.31Å |
| 252 | T | 94.2 | Very high | 90 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.2 | 172.9 | -61.9 | 0 | 0 | 0 | 0 | 109 | P150 F152 Q238 A239 | P150-T252 WeakPolarHBondContact O-CB 3.47Å; P150-T252 PolarHBondContact O-OG1 2.83Å; F152-T252 HydrophobicContact CD2-CG2 4.14Å; Q238-T252 WeakPolarHBondContact CA-O 3.19Å; A239-T252 PolarHBondContact N-O 3.1Å; A239-T252 PolarHBondContact O-N 2.75Å |
| 253 | T | 93.9 | Very high | 89.9 | Confident | 72 Ų | 72 | 56.4 Ų | 56.4 | 44% | 0.442 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 151.7 | -178.8 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | I236 I237 Q238 | I236-T253 HydrophobicContact CG2-CG2 4.22Å; I237-T253 CarbonylContact O-C 3.56Å; I237-T253 VanDerWaalsContact O-CA 3.24Å; I237-T253 WeakPolarHBondContact O-CA 3.5Å; Q238-T253 HydrophobicContact CB-CG2 4.01Å; Q238-T253 HydrophobicContact CG-CG2 4.01Å |
| 254 | T | 93.6 | Very high | 90 | Very high | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 163.1 | 169.8 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | F152 E155 Y157 F175 I237 | F152-T254 HydrophobicContact CD1-CG2 3.77Å; F152-T254 HydrophobicContact CD2-CG2 3.72Å; F152-T254 HydrophobicContact CE1-CG2 3.58Å; F152-T254 HydrophobicContact CE2-CG2 3.55Å; F152-T254 HydrophobicContact CG-CG2 3.82Å; F152-T254 HydrophobicContact CZ-CG2 3.48Å; F152-T254 VanDerWaalsContact CZ-CG2 3.48Å; E155-T254 PolarHBondContact O-OG1 3.19Å; Y157-T254 HydrophobicContact CD2-CG2 3.82Å; Y157-T254 HydrophobicContact CE2-CG2 3.83Å; F175-T254 HydrophobicContact CE1-CG2 4.43Å; I237-T254 HydrophobicContact CB-CG2 4.02Å; I237-T254 PolarHBondContact N-O 3.16Å; I237-T254 PolarHBondContact O-N 3.05Å |
| 255 | T | 93.5 | Very high | 90.2 | Very high | 57 Ų | 57 | 51.7 Ų | 51.7 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.4 | 176.1 | 50.6 | 0 | 0 | 0 | 0 | 110.4 | S156 Y157 I236 | S156-T255 WeakPolarHBondContact CA-O 3.26Å; S156-T255 WeakPolarHBondContact CB-O 3.34Å; Y157-T255 PolarHBondContact N-O 3.08Å; I236-T255 HydrophobicContact CG1-CG2 4.39Å |
| 256 | L | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 111 | 165.4 | 174 | 64.9 | 0 | 0 | 0 | 108 | Y157 A159 F172 V219 V235 I237 V258 | Y157-L256 WeakPolarHBondContact O-CA 3.33Å; A159-L256 HydrophobicContact CB-CD1 4.25Å; F172-L256 HydrophobicContact CB-CD2 4.12Å; F172-L256 HydrophobicContact CD1-CD1 4.37Å; F172-L256 HydrophobicContact CD1-CD2 4.13Å; F172-L256 HydrophobicContact CD2-CD1 3.95Å; F172-L256 HydrophobicContact CE1-CD1 4.48Å; F172-L256 HydrophobicContact CE2-CD1 4.06Å; F172-L256 HydrophobicContact CG-CD1 4.1Å; F172-L256 HydrophobicContact CG-CD2 4.08Å; F172-L256 HydrophobicContact CZ-CD1 4.33Å; V219-L256 HydrophobicContact CB-CD2 4.32Å; V219-L256 HydrophobicContact CG1-CD2 4.36Å; V219-L256 HydrophobicContact CG2-CD2 3.82Å; V235-L256 HydrophobicContact CB-CB 4.3Å; V235-L256 PolarHBondContact N-O 2.9Å; V235-L256 PolarHBondContact O-N 3.48Å; I237-L256 HydrophobicContact CD1-CB 4.49Å; I237-L256 HydrophobicContact CG1-CB 3.95Å; L256-V258 HydrophobicContact CD2-CG2 4.15Å; L256-V258 HydrophobicContact CG-CG2 3.91Å |
| 257 | T | 95 | Very high | 90.7 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 15% | 0.147 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.1 | 173.9 | -55.6 | 0 | 0 | 0 | 0 | 108.8 | Y157 Y158 A159 R232 Y233 Y234 | Y157-T257 PolarHBondContact O-N 2.99Å; Y158-T257 WeakPolarHBondContact CA-O 3.42Å; Y158-T257 HydrophobicContact CD2-CG2 4.27Å; Y158-T257 HydrophobicContact CE2-CG2 4.4Å; A159-T257 PolarHBondContact N-O 3.31Å; R232-T257 HydrophobicContact CG-CG2 4.03Å; Y233-T257 WeakPolarHBondContact O-CA 3.13Å; Y234-T257 HydrophobicContact CD1-CG2 4.23Å; Y234-T257 HydrophobicContact CE1-CG2 4.02Å |
| 258 | V | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 111.1 | 179.7 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | A159 V161 I171 F209 R232 Y233 V235 L256 | A159-V258 WeakPolarHBondContact O-CA 3.3Å; V161-V258 HydrophobicContact CB-CG1 4.46Å; V161-V258 HydrophobicContact CG1-CG1 3.48Å; V161-V258 VanDerWaalsContact CG1-CG1 3.48Å; I171-V258 HydrophobicContact CD1-CG1 4.07Å; I171-V258 HydrophobicContact CD1-CG2 4.02Å; F209-V258 HydrophobicContact CE1-CG1 4.2Å; F209-V258 HydrophobicContact CZ-CB 4.12Å; F209-V258 HydrophobicContact CZ-CG1 3.92Å; F209-V258 HydrophobicContact CZ-CG2 4.32Å; R232-V258 WeakPolarHBondContact CA-O 3.22Å; Y233-V258 PolarHBondContact N-O 2.91Å; Y233-V258 PolarHBondContact O-N 3.03Å; V235-V258 HydrophobicContact CG2-CG2 4.24Å; L256-V258 HydrophobicContact CD2-CG2 4.15Å; L256-V258 HydrophobicContact CG-CG2 3.91Å |
| 259 | D | 93.3 | Very high | 91.1 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 129.6 | 174 | -78.7 | -10.9 | 0 | 0 | 0 | 110 | Y158 A159 T160 V161 R232 | Y158-D259 HydrophobicContact CE2-CB 4.26Å; Y158-D259 VanDerWaalsContact CE2-OD2 3.27Å; Y158-D259 WeakPolarHBondContact CE2-OD2 3.36Å; Y158-D259 WeakPolarHBondContact OH-CB 3.38Å; Y158-D259 PolarHBondContact OH-OD2 3.35Å; A159-D259 PolarHBondContact O-N 3.41Å; T160-D259 VanDerWaalsContact CA-O 3.32Å; T160-D259 WeakPolarHBondContact CA-O 3.43Å; T160-D259 HydrophobicContact CG2-CB 4.15Å; V161-D259 PolarHBondContact N-O 3.31Å; R232-D259 VanDerWaalsContact CG-OD1 3.31Å; R232-D259 WeakPolarHBondContact CG-OD1 3.33Å; R232-D259 IonicContact CZ-OD1 3.38Å; R232-D259 IonicContact CZ-OD2 2.93Å; R232-D259 IonicContact NE-OD1 3.65Å; R232-D259 PolarHBondContact NE-OD1 3.06Å; R232-D259 IonicContact NE-OD2 3.56Å; R232-D259 IonicContact NH2-OD1 4Å; R232-D259 PolarHBondContact NH2-OD1 2.53Å; R232-D259 IonicContact NH2-OD2 2.83Å; R232-D259 PolarHBondContact NH2-OD2 2.69Å |
| 260 | V | 92.7 | Very high | 91.2 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 129.9 | 174.6 | -171.7 | 0 | 0 | 0 | 0 | 108 | V161 E163 L225 Y227 T231 Y233 | V161-V260 CarbonylContact O-C 3.56Å; V161-V260 VanDerWaalsContact O-CA 3.3Å; V161-V260 WeakPolarHBondContact O-CA 3.36Å; E163-V260 HydrophobicContact CB-CG1 3.75Å; L225-V260 HydrophobicContact CB-CG1 4.18Å; L225-V260 HydrophobicContact CD1-CG1 4.26Å; L225-V260 HydrophobicContact CD1-CG2 4.22Å; L225-V260 HydrophobicContact CD2-CG2 4.34Å; Y227-V260 HydrophobicContact CD2-CB 4.18Å; Y227-V260 HydrophobicContact CD2-CG1 4.13Å; Y227-V260 WeakPolarHBondContact CD2-O 3.13Å; Y227-V260 WeakPolarHBondContact CE2-O 3.33Å; T231-V260 PolarHBondContact O-N 2.99Å; Y233-V260 HydrophobicContact CD2-CG2 4.01Å; Y233-V260 HydrophobicContact CE2-CG2 3.73Å |
| 261 | L | 91.1 | Very high | 90.8 | Very high | 66 Ų | 66 | 29.1 Ų | 29.1 | 35% | 0.346 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.8 | 170.6 | -57.3 | 175.8 | 0 | 0 | 0 | 108.5 | T160 V161 E163 | T160-L261 HydrophobicContact CG2-CD2 4.4Å; V161-L261 PolarHBondContact O-N 2.81Å; E163-L261 PolarHBondContact N-O 2.9Å |
| 262 | D | 90.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -62.9 | 129.8 | 175.8 | -163.5 | -25.8 | 0 | 0 | 0 | 109.6 | E163 Y227 R316 N317 | E163-D262 VanDerWaalsContact OE1-CA 3.29Å; E163-D262 WeakPolarHBondContact OE1-CA 3.41Å; Y227-D262 HydrophobicContact CD1-CB 3.6Å; Y227-D262 VanDerWaalsContact CD1-CG 3.41Å; Y227-D262 WeakPolarHBondContact CD1-OD2 3.35Å; Y227-D262 HydrophobicContact CD2-CB 3.81Å; Y227-D262 HydrophobicContact CE1-CB 3.77Å; Y227-D262 VanDerWaalsContact CE1-OD2 3.31Å; Y227-D262 WeakPolarHBondContact CE1-OD2 3.19Å; Y227-D262 HydrophobicContact CE2-CB 3.95Å; Y227-D262 HydrophobicContact CG-CB 3.64Å; D262-R316 WeakPolarHBondContact OD2-CA 3.37Å; D262-R316 PolarHBondContact OD2-N 2.74Å; D262-N317 WeakPolarHBondContact CB-O 3.48Å; D262-N317 PolarHBondContact OD2-N 2.81Å |
| 263 | G | 88.2 | Confident | 89.7 | Confident | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | trans | -124.9 | 144.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E163 D265 | E163-G263 PolarHBondContact OE1-N 3.5Å; G263-D265 PolarHBondContact O-N 2.87Å | ||
| 264 | D | 88.3 | Confident | 88.9 | Confident | 37 Ų | 37 | 28.9 Ų | 28.9 | 20% | 0.198 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -60.2 | 90.9 | -179 | -179.2 | 49.4 | 0 | 0 | 0 | 112.2 | D315 I318 Q374 N376 H378 | D264-D315 WeakPolarHBondContact CA-OD2 3.31Å; D264-I318 HydrophobicContact CB-CD1 4.05Å; D264-Q374 PolarHBondContact OD1-NE2 2.64Å; D264-N376 PolarHBondContact OD2-ND2 2.8Å; D264-H378 IonicContact OD1-CD2 3.4Å; D264-H378 IonicContact OD2-CD2 2.73Å; D264-H378 PolarHBondContact OD2-CD2 3.05Å |
| 265 | D | 86.4 | Confident | 87.8 | Confident | 54 Ų | 54 | 34.5 Ų | 34.5 | 29% | 0.289 | 20% | 0.196 | S | C | . | . | trans | -130.4 | -13.4 | -177 | 101.7 | -36.3 | 0 | 0 | 0 | 113.4 | L164 G263 | L164-D265 HydrophobicContact CD2-CB 3.66Å; G263-D265 PolarHBondContact O-N 2.87Å | ||
| 266 | L | 87 | Confident | 86.5 | Confident | 49 Ų | 49 | 34.5 Ų | 34.5 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -104.4 | 153.2 | 171.2 | -51.5 | 179 | 0 | 0 | 0 | 111.7 | E228 Q314 D315 Q374 H378 | E228-L266 HydrophobicContact CG-CD1 3.96Å; L266-Q314 HydrophobicContact CB-CB 3.66Å; L266-Q314 HydrophobicContact CD1-CB 3.92Å; L266-Q314 HydrophobicContact CG-CB 4.44Å; L266-D315 VanDerWaalsContact CB-OD1 3.22Å; L266-D315 WeakPolarHBondContact CB-OD1 3.36Å; L266-D315 WeakPolarHBondContact CG-OD1 3.47Å; L266-D315 PolarHBondContact N-OD1 2.7Å; L266-D315 VanDerWaalsContact N-OD1 3.16Å; L266-Q374 PolarHBondContact O-NE2 2.78Å; L266-Q374 PolarHBondContact O-OE1 2.84Å; L266-H378 PolarHBondContact O-CE1 2.85Å; L266-H378 VanDerWaalsContact O-CE1 3.32Å |
| 267 | G | 86.1 | Confident | 85.2 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | trans | -90.3 | 177.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q314 L380 | G267-Q314 VanDerWaalsContact O-CB 3.31Å; G267-Q314 WeakPolarHBondContact O-CB 3.44Å; G267-Q314 WeakPolarHBondContact O-CG 3.37Å; G267-Q314 PolarHBondContact O-N 2.77Å; G267-Q314 PolarHBondContact O-OE1 3.48Å; G267-Q314 VanDerWaalsContact O-OE1 3.08Å; G267-L380 WeakPolarHBondContact CA-O 3.19Å | ||
| 268 | P | 91 | Very high | 83.6 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 156.4 | 169.5 | 29.4 | -34.9 | 0 | 0 | 0 | 112 | I312 I327 A372 L380 A382 | P268-I312 CarbonylContact C-O 3.53Å; P268-I312 VanDerWaalsContact CA-O 3.28Å; P268-I312 WeakPolarHBondContact CA-O 3.25Å; P268-I327 HydrophobicContact CB-CD1 4.15Å; P268-I327 HydrophobicContact CB-CG1 4.34Å; P268-I327 HydrophobicContact CB-CG2 4.46Å; P268-A372 HydrophobicContact CB-CB 4.43Å; P268-A372 HydrophobicContact CG-CB 4.27Å; P268-A372 WeakPolarHBondContact CG-O 3.4Å; P268-L380 WeakPolarHBondContact CD-O 3.27Å; P268-A382 VanDerWaalsContact O-CB 3.27Å; P268-A382 WeakPolarHBondContact O-CB 3.47Å |
| 269 | M | 87.1 | Confident | 82.2 | Confident | 36 Ų | 36 | 50 Ų | 50 | 18% | 0.177 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 130.8 | 175.4 | 178.1 | 179.6 | 68.8 | 0 | 0 | 110.4 | L271 C282 A311 I312 Q314 | M269-L271 HydrophobicContact CE-CD2 4.13Å; M269-C282 HydrophobicContact CG-CB 4.22Å; M269-C282 HydrophobicContact SD-CB 3.38Å; M269-C282 WeakPolarHBondContact SD-CB 3.44Å; M269-A311 CarbonylContact O-C 3.52Å; M269-A311 WeakPolarHBondContact O-CA 3.49Å; M269-I312 HydrophobicContact CE-CD1 4.44Å; M269-I312 PolarHBondContact N-O 2.76Å; M269-I312 PolarHBondContact O-N 2.85Å; M269-Q314 HydrophobicContact CB-CG 3.67Å |
| 270 | F | 90.7 | Very high | 80.7 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 1% | 0.013 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 145.1 | 175.4 | -80.2 | -71.6 | 0 | 0 | 0 | 112.3 | C273 P284 Y287 I309 Q310 A311 Y329 I370 A372 A382 A384 | F270-C273 WeakPolarHBondContact O-CB 3.41Å; F270-P284 HydrophobicContact CB-CB 3.94Å; F270-Y287 HydrophobicContact CD1-CE2 4.15Å; F270-Y287 HydrophobicContact CG-CE2 4.47Å; F270-I309 HydrophobicContact CD1-CG2 4.37Å; F270-I309 HydrophobicContact CE1-CG2 3.92Å; F270-Q310 CarbonylContact C-O 3.52Å; F270-Q310 WeakPolarHBondContact CA-O 2.91Å; F270-A311 HydrophobicContact CD1-CB 4Å; F270-A311 HydrophobicContact CE1-CB 4.28Å; F270-A311 HydrophobicContact CG-CB 4.43Å; F270-Y329 HydrophobicContact CE1-CD1 4.19Å; F270-Y329 HydrophobicContact CE1-CE1 4.09Å; F270-I370 HydrophobicContact CE1-CD1 3.84Å; F270-I370 HydrophobicContact CE1-CG1 4.36Å; F270-I370 HydrophobicContact CZ-CD1 3.97Å; F270-I370 HydrophobicContact CZ-CG1 3.97Å; F270-A372 HydrophobicContact CE1-CB 4.06Å; F270-A372 HydrophobicContact CE2-CB 3.88Å; F270-A372 HydrophobicContact CZ-CB 3.54Å; F270-A382 HydrophobicContact CD2-CB 3.93Å; F270-A382 HydrophobicContact CE2-CB 4.05Å; F270-A384 HydrophobicContact CD2-CB 3.74Å; F270-A384 HydrophobicContact CE2-CB 3.86Å; F270-A384 HydrophobicContact CG-CB 4.11Å; F270-A384 HydrophobicContact CZ-CB 4.33Å |
| 271 | L | 82.5 | Confident | 79.3 | Confident | 50 Ų | 50 | 62.1 Ų | 62.1 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 148 | 177.3 | -65.4 | 177.5 | 0 | 0 | 0 | 111 | M269 Y287 Q310 I312 | M269-L271 HydrophobicContact CE-CD2 4.13Å; L271-Y287 PolarHBondContact O-OH 3.32Å; L271-Q310 PolarHBondContact N-O 2.84Å; L271-I312 HydrophobicContact CD1-CB 4.41Å; L271-I312 HydrophobicContact CD1-CD1 3.88Å; L271-I312 HydrophobicContact CD1-CG1 3.83Å; L271-I312 HydrophobicContact CD1-CG2 3.75Å; L271-I312 HydrophobicContact CG-CD1 4.47Å; L271-I312 HydrophobicContact CG-CG1 4.16Å |
| 272 | P | 84.6 | Confident | 78.3 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | S | Bend | cis | -67.1 | 156.9 | -17.2 | 27.3 | -30.7 | 0 | 0 | 0 | 111.6 | L285 P307 | P272-L285 HydrophobicContact CB-CD1 3.97Å; P272-L285 HydrophobicContact CG-CD1 3.7Å; P272-P307 HydrophobicContact CG-CB 3.85Å; P272-P307 HydrophobicContact CG-CG 3.72Å |
| 273 | C | 80.5 | Confident | 77.3 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 20% | 0.203 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 159.6 | 178 | 65.4 | 0 | 0 | 0 | 0 | 110.5 | F270 C282 R283 | F270-C273 WeakPolarHBondContact O-CB 3.41Å; C273-C282 HydrophobicContact CB-CB 3.74Å; C273-C282 WeakPolarHBondContact CB-SG 3.42Å; C273-C282 WeakPolarHBondContact SG-CB 3.28Å; C273-C282 CovalentContact SG-SG 2.01Å; C273-C282 PolarHBondContact SG-SG 3.32Å; C273-R283 WeakPolarHBondContact CA-O 3.33Å; C273-R283 WeakPolarHBondContact CB-O 3.34Å |
| 274 | V | 76.5 | Confident | 76.6 | Confident | 90 Ų | 90 | 70.3 Ų | 70.3 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119.3 | 178.7 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | V276 C282 R283 L285 | V274-V276 PolarHBondContact O-N 2.93Å; V274-C282 VanDerWaalsContact C-SG 3.6Å; V274-R283 PolarHBondContact N-O 3.15Å; V274-R283 PolarHBondContact O-N 3.23Å; V274-L285 HydrophobicContact CG2-CD2 4.37Å; V274-L285 HydrophobicContact CG2-CG 4.35Å |
| 275 | L | 70.7 | Confident | 76.1 | Confident | 124 Ų | 124 | 72 Ų | 72 | 65% | 0.649 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 124.1 | 175.9 | -90.8 | 147.7 | 0 | 0 | 0 | 110.7 | ||
| 276 | V | 65.9 | Low | 76.1 | Confident | 57 Ų | 57 | 73 Ų | 73 | 35% | 0.345 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -77 | 124.5 | 178 | 175 | 0 | 0 | 0 | 0 | 108.6 | V274 N278 T279 D281 R283 | V274-V276 PolarHBondContact O-N 2.93Å; V276-N278 PolarHBondContact O-N 3Å; V276-T279 VanDerWaalsContact CB-OG1 3.26Å; V276-T279 WeakPolarHBondContact CB-OG1 3.41Å; V276-T279 HydrophobicContact CG1-CG2 4.2Å; V276-T279 PolarHBondContact O-N 3.03Å; V276-T279 PolarHBondContact O-OG1 3.25Å; V276-D281 PolarHBondContact N-O 3.35Å; V276-R283 HydrophobicContact CG2-CB 4.06Å |
| 277 | P | 67.3 | Low | 76.3 | Confident | 108 Ų | 108 | 70.7 Ų | 70.7 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 134.5 | -174.2 | -24.9 | 31.9 | 0 | 0 | 0 | 112.9 | T279 | P277-T279 PolarHBondContact O-N 3.16Š|
| 278 | N | 61.3 | Low | 76.6 | Confident | 176 Ų | 176 | 75.8 Ų | 75.8 | 94% | 0.941 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 14.7 | -177.3 | -51.6 | -39 | 0 | 0 | 0 | 115.5 | V276 | V276-N278 PolarHBondContact O-N 3Š|
| 279 | T | 64.9 | Low | 76.8 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -128.4 | 160.4 | 172.9 | 73.8 | 0 | 0 | 0 | 0 | 110 | V276 P277 D281 | V276-T279 VanDerWaalsContact CB-OG1 3.26Å; V276-T279 WeakPolarHBondContact CB-OG1 3.41Å; V276-T279 HydrophobicContact CG1-CG2 4.2Å; V276-T279 PolarHBondContact O-N 3.03Å; V276-T279 PolarHBondContact O-OG1 3.25Å; P277-T279 PolarHBondContact O-N 3.16Å; T279-D281 WeakPolarHBondContact OG1-CB 3.41Å; T279-D281 PolarHBondContact OG1-N 2.75Å; T279-D281 VanDerWaalsContact OG1-N 3.17Å |
| 280 | R | 62.3 | Low | 77 | Confident | 175 Ų | 175 | 76.8 Ų | 76.8 | 66% | 0.66 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -84.3 | 5.7 | 164.1 | -69.8 | -174.6 | 179.5 | 167.9 | 4.3 | 111.8 | D229 | D229-R280 IonicContact OD1-CZ 3.84Å; D229-R280 VanDerWaalsContact OD1-CZ 3.27Å; D229-R280 IonicContact OD1-NH1 3.9Å; D229-R280 PolarHBondContact OD1-NH1 3.32Å; D229-R280 IonicContact OD1-NH2 2.62Å; D229-R280 PolarHBondContact OD1-NH2 3.39Å |
| 281 | D | 63.1 | Low | 77 | Confident | 107 Ų | 107 | 76.8 Ų | 76.8 | 57% | 0.572 | 41% | 0.413 | S | S | * | . | trans | -87.5 | 147.3 | -173.5 | -154.8 | -2.1 | 0 | 0 | 0 | 110.6 | V276 T279 | V276-D281 PolarHBondContact N-O 3.35Å; T279-D281 WeakPolarHBondContact OG1-CB 3.41Å; T279-D281 PolarHBondContact OG1-N 2.75Å; T279-D281 VanDerWaalsContact OG1-N 3.17Å | ||
| 282 | C | 69.1 | Low | 77.2 | Confident | 18 Ų | 18 | 75.7 Ų | 75.7 | 12% | 0.122 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 122 | -171.4 | -145.2 | 0 | 0 | 0 | 0 | 110.8 | M269 C273 V274 | M269-C282 HydrophobicContact CG-CB 4.22Å; M269-C282 HydrophobicContact SD-CB 3.38Å; M269-C282 WeakPolarHBondContact SD-CB 3.44Å; C273-C282 HydrophobicContact CB-CB 3.74Å; C273-C282 WeakPolarHBondContact CB-SG 3.42Å; C273-C282 WeakPolarHBondContact SG-CB 3.28Å; C273-C282 CovalentContact SG-SG 2.01Å; C273-C282 PolarHBondContact SG-SG 3.32Å; V274-C282 VanDerWaalsContact C-SG 3.6Å |
| 283 | R | 70.6 | Confident | 77.4 | Confident | 187 Ų | 187 | 73.2 Ų | 73.2 | 71% | 0.706 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 122.3 | 176.5 | -174.8 | 179.1 | 174.2 | -172.1 | -1.9 | 109.3 | C273 V274 V276 | C273-R283 WeakPolarHBondContact CA-O 3.33Å; C273-R283 WeakPolarHBondContact CB-O 3.34Å; V274-R283 PolarHBondContact N-O 3.15Å; V274-R283 PolarHBondContact O-N 3.23Å; V276-R283 HydrophobicContact CG2-CB 4.06Å |
| 284 | P | 72.8 | Confident | 77.7 | Confident | 40 Ų | 40 | 76 Ų | 76 | 26% | 0.26 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 147.1 | 176.5 | 21.7 | -27.7 | 0 | 0 | 0 | 111.4 | F270 F383 A384 | F270-P284 HydrophobicContact CB-CB 3.94Å; P284-F383 VanDerWaalsContact CG-O 3.26Å; P284-F383 WeakPolarHBondContact CG-O 3.43Å; P284-A384 HydrophobicContact CB-CB 3.9Å; P284-A384 HydrophobicContact CG-CB 4.08Å |
| 285 | L | 77.4 | Confident | 78.1 | Confident | 72 Ų | 72 | 76.9 Ų | 76.9 | 38% | 0.377 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 155.3 | 169.8 | -77.3 | 146.2 | 0 | 0 | 0 | 110 | P272 V274 Y287 | P272-L285 HydrophobicContact CB-CD1 3.97Å; P272-L285 HydrophobicContact CG-CD1 3.7Å; V274-L285 HydrophobicContact CG2-CD2 4.37Å; V274-L285 HydrophobicContact CG2-CG 4.35Å; L285-Y287 PolarHBondContact O-N 3.4Å |
| 286 | T | 85.9 | Confident | 79 | Confident | 77 Ų | 77 | 73.4 Ų | 73.4 | 47% | 0.472 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 121.6 | 167.7 | -53.9 | 0 | 0 | 0 | 0 | 108.1 | H387 | T286-H387 HydrophobicContact CG2-CB 4.35Š|
| 287 | Y | 92.4 | Very high | 80 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 142.3 | 173.3 | -65.5 | -76.2 | 0 | 0 | 0 | 109.9 | F270 L271 L285 V305 P307 I309 I370 A384 S385 L386 H387 | F270-Y287 HydrophobicContact CD1-CE2 4.15Å; F270-Y287 HydrophobicContact CG-CE2 4.47Å; L271-Y287 PolarHBondContact O-OH 3.32Å; L285-Y287 PolarHBondContact O-N 3.4Å; Y287-V305 HydrophobicContact CD1-CG1 4.22Å; Y287-V305 HydrophobicContact CG-CG1 4.37Å; Y287-P307 HydrophobicContact CD1-CG 3.92Å; Y287-P307 WeakPolarHBondContact CD1-O 2.95Å; Y287-P307 HydrophobicContact CE1-CG 3.83Å; Y287-P307 WeakPolarHBondContact CE1-O 3.17Å; Y287-I309 HydrophobicContact CD1-CG1 3.89Å; Y287-I309 HydrophobicContact CD2-CG1 4.44Å; Y287-I309 HydrophobicContact CE1-CB 4.43Å; Y287-I309 HydrophobicContact CE1-CG1 4.07Å; Y287-I309 HydrophobicContact CG-CG1 4.07Å; Y287-I370 HydrophobicContact CD2-CD1 3.82Å; Y287-I370 HydrophobicContact CE2-CD1 3.92Å; Y287-A384 HydrophobicContact CD2-CB 3.92Å; Y287-A384 HydrophobicContact CE2-CB 3.61Å; Y287-S385 PolarHBondContact N-O 2.93Å; Y287-L386 CarbonylContact O-C 3.59Å; Y287-L386 WeakPolarHBondContact O-CA 3.26Å; Y287-H387 PolarHBondContact O-N 2.85Å |
| 288 | Q | 92.6 | Very high | 80.9 | Confident | 110 Ų | 110 | 76 Ų | 76 | 51% | 0.514 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.5 | -177.6 | -65.9 | -175.9 | -23.5 | 0 | 0 | 111.4 | T306 H387 | Q288-T306 PolarHBondContact N-O 3.14Å; Q288-T306 PolarHBondContact O-N 3.04Å; Q288-T306 PolarHBondContact O-OG1 3.13Å; Q288-T306 VanDerWaalsContact O-OG1 3.13Å; Q288-H387 CarbonylContact C-O 3.59Å; Q288-H387 VanDerWaalsContact CA-O 3.27Å; Q288-H387 WeakPolarHBondContact CA-O 3.39Å; Q288-H387 HydrophobicContact CG-CB 4.47Å |
| 289 | A | 93.6 | Very high | 82.1 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 148.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I303 V305 H387 I388 E389 | A289-I303 HydrophobicContact CB-CG2 3.88Å; A289-V305 HydrophobicContact CB-CG2 4.35Å; A289-H387 PolarHBondContact N-O 2.96Å; A289-I388 HydrophobicContact CB-CG1 4.35Å; A289-I388 HydrophobicContact CB-CG2 4.32Å; A289-I388 CarbonylContact O-C 3.2Å; A289-I388 WeakPolarHBondContact O-CA 3.45Å; A289-E389 PolarHBondContact O-N 2.81Å |
| 290 | A | 91.6 | Very high | 83.1 | Confident | 57 Ų | 57 | 72 Ų | 72 | 47% | 0.471 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 126.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | E389 L391 | A290-E389 WeakPolarHBondContact CA-O 3.35Å; A290-L391 HydrophobicContact CB-CD1 3.9Å; A290-L391 HydrophobicContact CB-CD2 4.16Å; A290-L391 HydrophobicContact CB-CG 4.02Å |
| 291 | I | 90.7 | Very high | 84.4 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.015 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.2 | -172.2 | -60.2 | 174.7 | 0 | 0 | 0 | 108.5 | L300 I303 F343 I388 E389 I390 L391 | I291-L300 HydrophobicContact CB-CD2 4.34Å; I291-L300 HydrophobicContact CD1-CD2 4.05Å; I291-L300 HydrophobicContact CG1-CD2 4.06Å; I291-L300 HydrophobicContact CG2-CD1 3.97Å; I291-L300 HydrophobicContact CG2-CD2 3.42Å; I291-L300 VanDerWaalsContact CG2-CD2 3.42Å; I291-L300 HydrophobicContact CG2-CG 4.37Å; I291-I303 HydrophobicContact CD1-CD1 3.68Å; I291-I303 HydrophobicContact CD1-CG1 4.03Å; I291-I303 HydrophobicContact CD1-CG2 3.97Å; I291-I303 HydrophobicContact CG1-CG2 4.14Å; I291-F343 HydrophobicContact CD1-CE1 3.67Å; I291-F343 HydrophobicContact CD1-CZ 4.17Å; I291-I388 HydrophobicContact CD1-CG2 3.59Å; I291-I388 HydrophobicContact CG1-CG2 4.07Å; I291-E389 PolarHBondContact N-O 3.31Å; I291-I390 HydrophobicContact CB-CD1 4.14Å; I291-I390 CarbonylContact O-C 3.6Å; I291-I390 WeakPolarHBondContact O-CA 3.17Å; I291-L391 PolarHBondContact O-N 2.81Å |
| 292 | P | 88.3 | Confident | 85.7 | Confident | 26 Ų | 26 | 65.1 Ų | 65.1 | 17% | 0.169 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 136.4 | 169.7 | -14.9 | 28.2 | 0 | 0 | 0 | 110.7 | R295 E393 | P292-R295 HydrophobicContact CB-CG 3.89Å; P292-R295 HydrophobicContact CG-CG 4.28Å; P292-E393 HydrophobicContact CB-CG 4.06Å; P292-E393 WeakPolarHBondContact CB-OE1 3.32Å |
| 293 | E | 88 | Confident | 86.7 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 158.3 | 179.7 | 74.1 | 176 | 120.7 | 0 | 0 | 113 | R295 V358 R360 I390 L391 E393 | E293-R295 PolarHBondContact O-N 3.19Å; E293-V358 WeakPolarHBondContact CA-O 3.27Å; E293-R360 HydrophobicContact CB-CB 3.98Å; E293-R360 HydrophobicContact CG-CB 4.38Å; E293-R360 VanDerWaalsContact OE2-CB 3.27Å; E293-R360 WeakPolarHBondContact OE2-CB 3.36Å; E293-R360 PolarHBondContact OE2-N 2.95Å; E293-R360 VanDerWaalsContact OE2-N 3.08Å; E293-I390 HydrophobicContact CB-CG2 3.77Å; E293-L391 PolarHBondContact N-O 2.86Å; E293-E393 HydrophobicContact CG-CB 4.07Å; E293-E393 HydrophobicContact CG-CG 4.34Å; E293-E393 PolarHBondContact OE1-N 2.87Å |
| 294 | L | 86.3 | Confident | 87.7 | Confident | 88 Ų | 88 | 62.9 Ų | 62.9 | 46% | 0.461 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 3.9 | 176.8 | -55 | 177 | 0 | 0 | 0 | 116.1 | V358 N359 | L294-V358 PolarHBondContact N-O 3.37Å; L294-N359 HydrophobicContact CD2-CB 3.85Å |
| 295 | R | 86.5 | Confident | 88.6 | Confident | 108 Ų | 108 | 61.5 Ų | 61.5 | 41% | 0.408 | 33% | 0.327 | S | S | . | . | trans | -60.9 | 135.8 | 171.3 | -79.6 | -76.6 | -174.7 | 174 | 0.3 | 111.4 | P292 E293 E299 L300 | P292-R295 HydrophobicContact CB-CG 3.89Å; P292-R295 HydrophobicContact CG-CG 4.28Å; E293-R295 PolarHBondContact O-N 3.19Å; R295-E299 VanDerWaalsContact CD-OE2 3.27Å; R295-E299 WeakPolarHBondContact CD-OE2 3.38Å; R295-E299 IonicContact CZ-OE2 2.82Å; R295-E299 IonicContact NE-OE2 3.32Å; R295-E299 IonicContact NH1-OE2 2.95Å; R295-E299 PolarHBondContact NH1-OE2 2.78Å; R295-L300 HydrophobicContact CB-CD1 4.25Å; R295-L300 HydrophobicContact CG-CD1 4.42Å | ||
| 296 | T | 88 | Confident | 89.1 | Confident | 51 Ų | 51 | 61.9 Ų | 61.9 | 31% | 0.313 | 33% | 0.332 | S | S | . | . | trans | -76.3 | 150.5 | 178.9 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | E298 E299 L300 | T296-E298 PolarHBondContact O-N 2.95Å; T296-E298 VanDerWaalsContact O-N 3.15Å; T296-E299 PolarHBondContact O-N 2.95Å; T296-E299 VanDerWaalsContact O-N 3.13Å; T296-E299 WeakPolarHBondContact OG1-CG 3.49Å; T296-L300 PolarHBondContact O-N 2.75Å | ||
| 297 | P | 88 | Confident | 89.3 | Confident | 35 Ų | 35 | 60 Ų | 60 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -54.1 | -30.7 | 174.4 | -30 | 37.2 | 0 | 0 | 0 | 114.2 | N301 L354 L355 | P297-N301 WeakPolarHBondContact O-CB 3.49Å; P297-N301 VanDerWaalsContact O-CG 3.24Å; P297-N301 PolarHBondContact O-N 2.91Å; P297-N301 PolarHBondContact O-ND2 2.87Å; P297-L354 WeakPolarHBondContact CB-O 3.2Å; P297-L355 WeakPolarHBondContact CG-O 3.33Å |
| 298 | E | 86.4 | Confident | 89.2 | Confident | 184 Ų | 184 | 63.8 Ų | 63.8 | 86% | 0.86 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69.9 | -32.8 | -178.8 | -65.5 | 171.1 | -175.8 | 0 | 0 | 112.3 | T296 | T296-E298 PolarHBondContact O-N 2.95Å; T296-E298 VanDerWaalsContact O-N 3.15Å |
| 299 | E | 85.1 | Confident | 89.1 | Confident | 123 Ų | 123 | 59.2 Ų | 59.2 | 58% | 0.575 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -87.3 | -33.7 | -179.3 | -68.9 | 174.4 | -168.8 | 0 | 0 | 113.1 | R295 T296 | R295-E299 VanDerWaalsContact CD-OE2 3.27Å; R295-E299 WeakPolarHBondContact CD-OE2 3.38Å; R295-E299 IonicContact CZ-OE2 2.82Å; R295-E299 IonicContact NE-OE2 3.32Å; R295-E299 IonicContact NH1-OE2 2.95Å; R295-E299 PolarHBondContact NH1-OE2 2.78Å; T296-E299 PolarHBondContact O-N 2.95Å; T296-E299 VanDerWaalsContact O-N 3.13Å; T296-E299 WeakPolarHBondContact OG1-CG 3.49Å |
| 300 | L | 86.5 | Confident | 88.9 | Confident | 34 Ų | 34 | 64 Ų | 64 | 18% | 0.178 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -92.4 | -28.9 | -170.6 | -163.5 | 86.1 | 0 | 0 | 0 | 113.5 | I291 R295 T296 P302 I303 L354 | I291-L300 HydrophobicContact CB-CD2 4.34Å; I291-L300 HydrophobicContact CD1-CD2 4.05Å; I291-L300 HydrophobicContact CG1-CD2 4.06Å; I291-L300 HydrophobicContact CG2-CD1 3.97Å; I291-L300 HydrophobicContact CG2-CD2 3.42Å; I291-L300 VanDerWaalsContact CG2-CD2 3.42Å; I291-L300 HydrophobicContact CG2-CG 4.37Å; R295-L300 HydrophobicContact CB-CD1 4.25Å; R295-L300 HydrophobicContact CG-CD1 4.42Å; T296-L300 PolarHBondContact O-N 2.75Å; L300-P302 CarbonylContact O-C 3.58Å; L300-P302 VanDerWaalsContact O-C 3.29Å; L300-P302 VanDerWaalsContact O-O 3.11Å; L300-I303 HydrophobicContact CD2-CD1 4.34Å; L300-I303 HydrophobicContact CD2-CG1 3.71Å; L300-I303 HydrophobicContact CG-CG1 4.38Å; L300-L354 HydrophobicContact CD2-CB 4.06Å; L300-L354 HydrophobicContact CD2-CD2 3.77Å; L300-L354 HydrophobicContact CD2-CG 4.42Å |
| 301 | N | 89.6 | Confident | 88.9 | Confident | 59 Ų | 59 | 61.8 Ų | 61.8 | 32% | 0.316 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -77 | 138.3 | -169.2 | -77.2 | -33.4 | 0 | 0 | 0 | 113.5 | P297 T353 L354 | P297-N301 WeakPolarHBondContact O-CB 3.49Å; P297-N301 VanDerWaalsContact O-CG 3.24Å; P297-N301 PolarHBondContact O-N 2.91Å; P297-N301 PolarHBondContact O-ND2 2.87Å; N301-T353 VanDerWaalsContact OD1-CA 3.26Å; N301-T353 WeakPolarHBondContact OD1-CA 3.37Å; N301-L354 PolarHBondContact ND2-O 3.03Å; N301-L354 PolarHBondContact OD1-N 3.31Å |
| 302 | P | 90.5 | Very high | 88.7 | Confident | 80 Ų | 80 | 65.3 Ų | 65.3 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | S | Bend | cis | -80 | 149.4 | -4 | 32 | -34.3 | 0 | 0 | 0 | 113.2 | L300 L304 | L300-P302 CarbonylContact O-C 3.58Å; L300-P302 VanDerWaalsContact O-C 3.29Å; L300-P302 VanDerWaalsContact O-O 3.11Å; P302-L304 PolarHBondContact O-N 2.77Å |
| 303 | I | 91 | Very high | 88.7 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 6% | 0.062 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -67.3 | 123.6 | 178.1 | -62.6 | 161.6 | 0 | 0 | 0 | 109.6 | A289 I291 L300 V305 F343 L352 L354 | A289-I303 HydrophobicContact CB-CG2 3.88Å; I291-I303 HydrophobicContact CD1-CD1 3.68Å; I291-I303 HydrophobicContact CD1-CG1 4.03Å; I291-I303 HydrophobicContact CD1-CG2 3.97Å; I291-I303 HydrophobicContact CG1-CG2 4.14Å; L300-I303 HydrophobicContact CD2-CD1 4.34Å; L300-I303 HydrophobicContact CD2-CG1 3.71Å; L300-I303 HydrophobicContact CG-CG1 4.38Å; I303-V305 PolarHBondContact O-N 3.36Å; I303-F343 HydrophobicContact CD1-CD1 3.73Å; I303-F343 HydrophobicContact CD1-CE1 3.73Å; I303-L352 HydrophobicContact CB-CB 4.26Å; I303-L352 HydrophobicContact CB-CD2 4.15Å; I303-L352 HydrophobicContact CB-CG 4.37Å; I303-L352 WeakPolarHBondContact CB-O 3.11Å; I303-L352 HydrophobicContact CD1-CD2 3.9Å; I303-L352 HydrophobicContact CD1-CG 3.9Å; I303-L352 HydrophobicContact CG2-CD2 4.04Å; I303-L352 PolarHBondContact N-O 3.24Å; I303-L354 HydrophobicContact CD1-CB 4.01Å; I303-L354 HydrophobicContact CG1-CB 4.46Å |
| 304 | L | 91.2 | Very high | 88.5 | Confident | 145 Ų | 145 | 67.3 Ų | 67.3 | 76% | 0.759 | 35% | 0.353 | S | S | * | . | trans | -74.9 | 108.2 | 177.7 | -171.9 | 68.8 | 0 | 0 | 0 | 110.9 | P302 | P302-L304 PolarHBondContact O-N 2.77Š| ||
| 305 | V | 91.7 | Very high | 88.6 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | trans | -96 | 135.3 | 174.7 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | Y287 A289 I303 P307 I309 L352 L386 | Y287-V305 HydrophobicContact CD1-CG1 4.22Å; Y287-V305 HydrophobicContact CG-CG1 4.37Å; A289-V305 HydrophobicContact CB-CG2 4.35Å; I303-V305 PolarHBondContact O-N 3.36Å; V305-P307 CarbonylContact C-O 3.57Å; V305-P307 CarbonylContact O-C 3.49Å; V305-P307 VanDerWaalsContact O-C 3.29Å; V305-I309 HydrophobicContact CB-CD1 4.36Å; V305-I309 HydrophobicContact CB-CG1 4.29Å; V305-I309 HydrophobicContact CG1-CD1 4.04Å; V305-I309 HydrophobicContact CG1-CG1 3.85Å; V305-I309 HydrophobicContact CG2-CD1 4.2Å; V305-L352 HydrophobicContact CG2-CB 4.16Å; V305-L352 HydrophobicContact CG2-CD2 4.04Å; V305-L386 HydrophobicContact CG1-CD1 3.68Å; V305-L386 HydrophobicContact CG2-CD1 4.33Å | ||
| 306 | T | 87.5 | Confident | 88.5 | Confident | 79 Ų | 79 | 65 Ų | 65 | 49% | 0.485 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -119.4 | 128.2 | 178.7 | 53.5 | 0 | 0 | 0 | 0 | 111.6 | Q288 | Q288-T306 PolarHBondContact N-O 3.14Å; Q288-T306 PolarHBondContact O-N 3.04Å; Q288-T306 PolarHBondContact O-OG1 3.13Å; Q288-T306 VanDerWaalsContact O-OG1 3.13Å |
| 307 | P | 89.1 | Confident | 88.4 | Confident | 38 Ų | 38 | 66 Ų | 66 | 25% | 0.247 | 34% | 0.342 | C | S | . | . | S | Bend | cis | -60.7 | 166.4 | -17 | 27.9 | -32.7 | 0 | 0 | 0 | 111.9 | P272 Y287 V305 I309 | P272-P307 HydrophobicContact CG-CB 3.85Å; P272-P307 HydrophobicContact CG-CG 3.72Å; Y287-P307 HydrophobicContact CD1-CG 3.92Å; Y287-P307 WeakPolarHBondContact CD1-O 2.95Å; Y287-P307 HydrophobicContact CE1-CG 3.83Å; Y287-P307 WeakPolarHBondContact CE1-O 3.17Å; V305-P307 CarbonylContact C-O 3.57Å; V305-P307 CarbonylContact O-C 3.49Å; V305-P307 VanDerWaalsContact O-C 3.29Å; P307-I309 PolarHBondContact O-N 3.16Å |
| 308 | P | 90.2 | Very high | 88.2 | Confident | 80 Ų | 80 | 65 Ų | 65 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | trans | -59.7 | 136.3 | 176.1 | 23.6 | -33.4 | 0 | 0 | 0 | 111 | Q310 | P308-Q310 PolarHBondContact O-N 3.43Š| ||
| 309 | I | 91.3 | Very high | 87.8 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | trans | -72 | 112.5 | -179.9 | -57.7 | 170.3 | 0 | 0 | 0 | 108.6 | F270 Y287 V305 P307 Y329 M345 A350 I370 L386 | F270-I309 HydrophobicContact CD1-CG2 4.37Å; F270-I309 HydrophobicContact CE1-CG2 3.92Å; Y287-I309 HydrophobicContact CD1-CG1 3.89Å; Y287-I309 HydrophobicContact CD2-CG1 4.44Å; Y287-I309 HydrophobicContact CE1-CB 4.43Å; Y287-I309 HydrophobicContact CE1-CG1 4.07Å; Y287-I309 HydrophobicContact CG-CG1 4.07Å; V305-I309 HydrophobicContact CB-CD1 4.36Å; V305-I309 HydrophobicContact CB-CG1 4.29Å; V305-I309 HydrophobicContact CG1-CD1 4.04Å; V305-I309 HydrophobicContact CG1-CG1 3.85Å; V305-I309 HydrophobicContact CG2-CD1 4.2Å; P307-I309 PolarHBondContact O-N 3.16Å; I309-Y329 HydrophobicContact CG2-CD1 4.41Å; I309-Y329 HydrophobicContact CG2-CE1 4.42Å; I309-M345 HydrophobicContact CD1-SD 4.44Å; I309-A350 HydrophobicContact CB-CB 3.91Å; I309-A350 HydrophobicContact CG2-CB 3.65Å; I309-I370 HydrophobicContact CD1-CD1 3.97Å; I309-I370 HydrophobicContact CG1-CD1 4.21Å; I309-I370 HydrophobicContact CG2-CD1 3.69Å; I309-L386 HydrophobicContact CD1-CD2 4.39Å | ||
| 310 | Q | 90.1 | Very high | 87.8 | Confident | 108 Ų | 108 | 57.9 Ų | 57.9 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 141.6 | 175.6 | -65.4 | -175.8 | -10.1 | 0 | 0 | 108.9 | F270 L271 P308 | F270-Q310 CarbonylContact C-O 3.52Å; F270-Q310 WeakPolarHBondContact CA-O 2.91Å; L271-Q310 PolarHBondContact N-O 2.84Å; P308-Q310 PolarHBondContact O-N 3.43Å |
| 311 | A | 90.2 | Very high | 87.4 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | M269 F270 I327 Y329 A372 | M269-A311 CarbonylContact O-C 3.52Å; M269-A311 WeakPolarHBondContact O-CA 3.49Å; F270-A311 HydrophobicContact CD1-CB 4Å; F270-A311 HydrophobicContact CE1-CB 4.28Å; F270-A311 HydrophobicContact CG-CB 4.43Å; A311-I327 HydrophobicContact CB-CD1 4.25Å; A311-I327 HydrophobicContact CB-CG2 4.22Å; A311-I327 VanDerWaalsContact O-CD1 3.22Å; A311-I327 WeakPolarHBondContact O-CD1 3.2Å; A311-Y329 HydrophobicContact CB-CE1 3.75Å; A311-Y329 PolarHBondContact N-OH 2.87Å; A311-Y329 PolarHBondContact O-OH 3.2Å; A311-A372 HydrophobicContact CB-CB 3.91Å |
| 312 | I | 88.3 | Confident | 87.1 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.3 | 174.9 | 58.7 | 163.9 | 0 | 0 | 0 | 109.7 | P268 M269 L271 | P268-I312 CarbonylContact C-O 3.53Å; P268-I312 VanDerWaalsContact CA-O 3.28Å; P268-I312 WeakPolarHBondContact CA-O 3.25Å; M269-I312 HydrophobicContact CE-CD1 4.44Å; M269-I312 PolarHBondContact N-O 2.76Å; M269-I312 PolarHBondContact O-N 2.85Å; L271-I312 HydrophobicContact CD1-CB 4.41Å; L271-I312 HydrophobicContact CD1-CD1 3.88Å; L271-I312 HydrophobicContact CD1-CG1 3.83Å; L271-I312 HydrophobicContact CD1-CG2 3.75Å; L271-I312 HydrophobicContact CG-CD1 4.47Å; L271-I312 HydrophobicContact CG-CG1 4.16Å |
| 313 | D | 87.3 | Confident | 86.6 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 130.9 | 168.5 | 166.5 | 27.1 | 0 | 0 | 0 | 108.8 | D315 R324 Q374 | D313-D315 VanDerWaalsContact C-N 3.32Å; D313-D315 PolarHBondContact OD1-N 2.72Å; D313-D315 VanDerWaalsContact OD1-N 3.11Å; D313-R324 PolarHBondContact O-NH2 3.14Å; D313-R324 WeakPolarHBondContact OD2-CG 3.16Å; D313-R324 IonicContact OD2-CZ 3.29Å; D313-R324 IonicContact OD2-NE 2.86Å; D313-R324 PolarHBondContact OD2-NE 2.97Å; D313-R324 IonicContact OD2-NH2 2.66Å; D313-Q374 PolarHBondContact OD1-NE2 2.76Å |
| 314 | Q | 84.5 | Confident | 86.3 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 32% | 0.318 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -77.7 | -18 | -175.3 | -71 | -176 | -81.9 | 0 | 0 | 112.9 | L266 G267 M269 | L266-Q314 HydrophobicContact CB-CB 3.66Å; L266-Q314 HydrophobicContact CD1-CB 3.92Å; L266-Q314 HydrophobicContact CG-CB 4.44Å; G267-Q314 VanDerWaalsContact O-CB 3.31Å; G267-Q314 WeakPolarHBondContact O-CB 3.44Å; G267-Q314 WeakPolarHBondContact O-CG 3.37Å; G267-Q314 PolarHBondContact O-N 2.77Å; G267-Q314 PolarHBondContact O-OE1 3.48Å; G267-Q314 VanDerWaalsContact O-OE1 3.08Å; M269-Q314 HydrophobicContact CB-CG 3.67Å |
| 315 | D | 88.5 | Confident | 86.1 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | trans | -67.5 | 139.5 | 175.3 | -57.1 | -40.9 | 0 | 0 | 0 | 110.4 | D264 L266 D313 I318 R324 | D264-D315 WeakPolarHBondContact CA-OD2 3.31Å; L266-D315 VanDerWaalsContact CB-OD1 3.22Å; L266-D315 WeakPolarHBondContact CB-OD1 3.36Å; L266-D315 WeakPolarHBondContact CG-OD1 3.47Å; L266-D315 PolarHBondContact N-OD1 2.7Å; L266-D315 VanDerWaalsContact N-OD1 3.16Å; D313-D315 VanDerWaalsContact C-N 3.32Å; D313-D315 PolarHBondContact OD1-N 2.72Å; D313-D315 VanDerWaalsContact OD1-N 3.11Å; D315-I318 HydrophobicContact CB-CD1 3.73Å; D315-I318 HydrophobicContact CB-CG1 3.91Å; D315-R324 PolarHBondContact O-NH2 3.23Å | ||
| 316 | R | 84.2 | Confident | 86 | Confident | 147 Ų | 147 | 62.9 Ų | 62.9 | 56% | 0.555 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -87.4 | -38.8 | -164.6 | -72.6 | -175.4 | 178.6 | 160.9 | 9.7 | 113.1 | Y227 E228 D262 | Y227-R316 HydrophobicContact CD1-CB 4.39Å; Y227-R316 HydrophobicContact CE1-CB 4.01Å; E228-R316 PolarHBondContact O-NH1 3.16Å; E228-R316 PolarHBondContact O-NH2 2.92Å; D262-R316 WeakPolarHBondContact OD2-CA 3.37Å; D262-R316 PolarHBondContact OD2-N 2.74Å |
| 317 | N | 84.2 | Confident | 86.1 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | trans | -162.3 | 55.4 | -166 | -171.3 | 34.8 | 0 | 0 | 0 | 113.2 | Y227 D262 Q319 | Y227-N317 HydrophobicContact CE1-CB 4.12Å; Y227-N317 PolarHBondContact OH-ND2 3.01Å; D262-N317 WeakPolarHBondContact CB-O 3.48Å; D262-N317 PolarHBondContact OD2-N 2.81Å; N317-Q319 PolarHBondContact O-N 3.02Å; N317-Q319 PolarHBondContact OD1-NE2 2.76Å | ||
| 318 | I | 84.7 | Confident | 86.3 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -57.5 | 127.6 | 168.7 | -62.1 | 172.5 | 0 | 0 | 0 | 109.6 | D264 D315 D323 | D264-I318 HydrophobicContact CB-CD1 4.05Å; D315-I318 HydrophobicContact CB-CD1 3.73Å; D315-I318 HydrophobicContact CB-CG1 3.91Å; I318-D323 HydrophobicContact CG2-CB 4Å |
| 319 | Q | 78.1 | Confident | 86.6 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -127.3 | 134.8 | -178.9 | -69.5 | -64.9 | -37.1 | 0 | 0 | 111.2 | N317 P321 | N317-Q319 PolarHBondContact O-N 3.02Å; N317-Q319 PolarHBondContact OD1-NE2 2.76Å; Q319-P321 VanDerWaalsContact OE1-CD 3.3Å |
| 320 | P | 84.7 | Confident | 86.7 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 40% | 0.403 | 31% | 0.314 | S | S | . | . | S | Bend | cis | -67.9 | 159 | -0.9 | 29.3 | -36 | 0 | 0 | 0 | 113 | S322 D323 | P320-S322 WeakPolarHBondContact CG-OG 3.37Å; P320-S322 PolarHBondContact O-N 3.14Å; P320-D323 WeakPolarHBondContact CD-OD2 3.23Å; P320-D323 WeakPolarHBondContact O-CB 3.31Å; P320-D323 PolarHBondContact O-N 2.89Å |
| 321 | P | 78.8 | Confident | 86.9 | Confident | 92 Ų | 92 | 55.6 Ų | 55.6 | 60% | 0.597 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -61.6 | -17.1 | -176.7 | -22.1 | 34.6 | 0 | 0 | 0 | 114.3 | Q319 D323 R324 | Q319-P321 VanDerWaalsContact OE1-CD 3.3Å; P321-D323 PolarHBondContact O-N 3.43Å; P321-R324 PolarHBondContact O-N 3.14Å |
| 322 | S | 82 | Confident | 87 | Confident | 97 Ų | 97 | 59.2 Ų | 59.2 | 68% | 0.678 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -67.2 | -22 | 173.8 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | P320 R324 | P320-S322 WeakPolarHBondContact CG-OG 3.37Å; P320-S322 PolarHBondContact O-N 3.14Å; S322-R324 VanDerWaalsContact C-N 3.29Å |
| 323 | D | 81.3 | Confident | 87.3 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 54% | 0.54 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -88.7 | -4.9 | -177.2 | -65.3 | 8 | 0 | 0 | 0 | 111.3 | I318 P320 P321 P325 | I318-D323 HydrophobicContact CG2-CB 4Å; P320-D323 WeakPolarHBondContact CD-OD2 3.23Å; P320-D323 WeakPolarHBondContact O-CB 3.31Å; P320-D323 PolarHBondContact O-N 2.89Å; P321-D323 PolarHBondContact O-N 3.43Å; D323-P325 WeakPolarHBondContact O-CD 2.99Å |
| 324 | R | 85 | Confident | 87.5 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 44% | 0.442 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -70.4 | 118.2 | 175.7 | -167.9 | 176.3 | -163.9 | 177.8 | 7.2 | 109.8 | D313 D315 P321 S322 | D313-R324 PolarHBondContact O-NH2 3.14Å; D313-R324 WeakPolarHBondContact OD2-CG 3.16Å; D313-R324 IonicContact OD2-CZ 3.29Å; D313-R324 IonicContact OD2-NE 2.86Å; D313-R324 PolarHBondContact OD2-NE 2.97Å; D313-R324 IonicContact OD2-NH2 2.66Å; D315-R324 PolarHBondContact O-NH2 3.23Å; P321-R324 PolarHBondContact O-N 3.14Å; S322-R324 VanDerWaalsContact C-N 3.29Å |
| 325 | P | 85.7 | Confident | 87.7 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 145.2 | -177.3 | 26 | -32.5 | 0 | 0 | 0 | 111.9 | D323 Q374 D375 N376 | D323-P325 WeakPolarHBondContact O-CD 2.99Å; P325-Q374 HydrophobicContact CB-CB 3.92Å; P325-Q374 HydrophobicContact CB-CG 4.03Å; P325-Q374 HydrophobicContact CG-CB 4.15Å; P325-Q374 HydrophobicContact CG-CG 3.79Å; P325-D375 WeakPolarHBondContact CA-OD1 3.43Å; P325-D375 WeakPolarHBondContact CB-OD1 3.36Å; P325-N376 HydrophobicContact CB-CB 4.3Å |
| 326 | G | 89.2 | Confident | 87.9 | Confident | 27 Ų | 27 | 62 Ų | 62 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 161.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q374 D375 | G326-Q374 CarbonylContact O-C 3.58Å; G326-Q374 VanDerWaalsContact O-CA 3.31Å; G326-Q374 WeakPolarHBondContact O-CA 3.36Å; G326-D375 WeakPolarHBondContact CA-OD2 3.46Å; G326-D375 PolarHBondContact N-OD1 3.28Å; G326-D375 PolarHBondContact N-OD2 2.93Å; G326-D375 PolarHBondContact O-N 2.91Å |
| 327 | I | 91.5 | Very high | 88.1 | Confident | 28 Ų | 28 | 63.6 Ų | 63.6 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.5 | 177.6 | -59 | 169.5 | 0 | 0 | 0 | 109.6 | P268 A311 Y329 A372 E373 | P268-I327 HydrophobicContact CB-CD1 4.15Å; P268-I327 HydrophobicContact CB-CG1 4.34Å; P268-I327 HydrophobicContact CB-CG2 4.46Å; A311-I327 HydrophobicContact CB-CD1 4.25Å; A311-I327 HydrophobicContact CB-CG2 4.22Å; A311-I327 VanDerWaalsContact O-CD1 3.22Å; A311-I327 WeakPolarHBondContact O-CD1 3.2Å; I327-Y329 HydrophobicContact CB-CE2 4.47Å; I327-Y329 HydrophobicContact CG2-CE1 4.15Å; I327-Y329 HydrophobicContact CG2-CE2 4.05Å; I327-A372 HydrophobicContact CG2-CB 3.98Å; I327-E373 WeakPolarHBondContact CA-O 3.36Å |
| 328 | L | 93.3 | Very high | 88.4 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.2 | 175.1 | -63.5 | 174.8 | 0 | 0 | 0 | 110.4 | P347 R348 A372 E373 D375 | L328-P347 CarbonylContact C-O 3.45Å; L328-P347 VanDerWaalsContact CA-O 3.28Å; L328-P347 WeakPolarHBondContact CA-O 3.1Å; L328-R348 HydrophobicContact CD2-CG 4.36Å; L328-A372 WeakPolarHBondContact O-CA 3.29Å; L328-E373 HydrophobicContact CB-CG 4.13Å; L328-E373 PolarHBondContact N-O 3.14Å; L328-E373 PolarHBondContact O-N 3.15Å; L328-D375 HydrophobicContact CD1-CB 3.89Å; L328-D375 HydrophobicContact CG-CB 4.03Å |
| 329 | Y | 94.7 | Very high | 88.8 | Confident | 20 Ų | 20 | 63.4 Ų | 63.4 | 8% | 0.078 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139 | 177.9 | -56.8 | -88.8 | 0 | 0 | 0 | 110.2 | F270 I309 A311 I327 P347 A350 K371 A372 | F270-Y329 HydrophobicContact CE1-CD1 4.19Å; F270-Y329 HydrophobicContact CE1-CE1 4.09Å; I309-Y329 HydrophobicContact CG2-CD1 4.41Å; I309-Y329 HydrophobicContact CG2-CE1 4.42Å; A311-Y329 HydrophobicContact CB-CE1 3.75Å; A311-Y329 PolarHBondContact N-OH 2.87Å; A311-Y329 PolarHBondContact O-OH 3.2Å; I327-Y329 HydrophobicContact CB-CE2 4.47Å; I327-Y329 HydrophobicContact CG2-CE1 4.15Å; I327-Y329 HydrophobicContact CG2-CE2 4.05Å; Y329-P347 PolarHBondContact N-O 2.82Å; Y329-P347 WeakPolarHBondContact O-CA 3.16Å; Y329-A350 HydrophobicContact CD1-CB 3.78Å; Y329-A350 HydrophobicContact CD2-CB 3.81Å; Y329-A350 HydrophobicContact CE1-CB 4.05Å; Y329-A350 HydrophobicContact CE2-CB 4.09Å; Y329-A350 HydrophobicContact CG-CB 3.64Å; Y329-K371 WeakPolarHBondContact CA-O 3.01Å; Y329-A372 HydrophobicContact CD1-CB 4.22Å; Y329-A372 HydrophobicContact CE1-CB 4.25Å |
| 330 | S | 94.4 | Very high | 89.5 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 27% | 0.273 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 153.5 | 172.2 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | M345 I370 K371 | S330-M345 WeakPolarHBondContact O-CE 3.28Å; S330-I370 CarbonylContact O-C 3.54Å; S330-I370 WeakPolarHBondContact O-CA 3.42Å; S330-K371 PolarHBondContact N-O 2.84Å; S330-K371 PolarHBondContact O-N 3.34Å |
| 331 | I | 94.8 | Very high | 89.9 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 116.5 | 168.6 | -53.4 | 169.3 | 0 | 0 | 0 | 106.2 | Y339 F343 M345 L352 L368 I370 | I331-Y339 HydrophobicContact CB-CE2 3.95Å; I331-Y339 HydrophobicContact CD1-CD2 4.45Å; I331-Y339 HydrophobicContact CD1-CE2 4.17Å; I331-Y339 HydrophobicContact CG2-CD2 4.15Å; I331-Y339 HydrophobicContact CG2-CE2 3.39Å; I331-F343 HydrophobicContact CD1-CB 4.41Å; I331-M345 HydrophobicContact CD1-CB 4.06Å; I331-M345 HydrophobicContact CG1-CB 3.92Å; I331-M345 HydrophobicContact CG1-CE 3.98Å; I331-L352 HydrophobicContact CD1-CD1 4.33Å; I331-L368 HydrophobicContact CD1-CD1 4.26Å; I331-L368 HydrophobicContact CG2-CB 4.26Å; I331-I370 HydrophobicContact CG1-CG2 4.41Å |
| 332 | L | 92.3 | Very high | 90.6 | Very high | 85 Ų | 85 | 62 Ų | 62 | 45% | 0.445 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -52.5 | -176.9 | 179.8 | 68.9 | 0 | 0 | 0 | 110.8 | V369 K371 F383 | L332-V369 WeakPolarHBondContact CB-O 3.43Å; L332-V369 HydrophobicContact CD2-CG1 4.41Å; L332-V369 PolarHBondContact N-O 3.31Å; L332-K371 HydrophobicContact CB-CB 4.37Å; L332-K371 HydrophobicContact CD1-CD 4.48Å; L332-F383 HydrophobicContact CD2-CD1 4.02Å; L332-F383 HydrophobicContact CD2-CE1 3.78Å |
| 333 | V | 93 | Very high | 91.3 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 159.1 | -178.3 | -71.8 | 0 | 0 | 0 | 0 | 109.2 | V369 | V333-V369 HydrophobicContact CG2-CB 3.88Å; V333-V369 HydrophobicContact CG2-CG2 3.97Å; V333-V369 PolarHBondContact O-N 3.29Å |
| 334 | G | 92.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 157.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | P336 Y339 D367 | G334-P336 CarbonylContact C-O 3.53Å; G334-Y339 VanDerWaalsContact N-CE1 3.31Å; G334-D367 CarbonylContact C-O 3.59Å; G334-D367 VanDerWaalsContact CA-O 3.26Å; G334-D367 WeakPolarHBondContact CA-O 3.31Å |
| 335 | T | 89.6 | Confident | 92.3 | Very high | 84 Ų | 84 | 52.2 Ų | 52.2 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.3 | 169.5 | 55.8 | 0 | 0 | 0 | 0 | 109.7 | F366 D367 | T335-F366 WeakPolarHBondContact O-CA 3.32Å; T335-D367 PolarHBondContact N-O 2.93Å; T335-D367 PolarHBondContact O-N 3.16Å; T335-D367 WeakPolarHBondContact OG1-CB 3.06Å |
| 336 | P | 91.9 | Very high | 92.7 | Very high | 38 Ų | 38 | 55.2 Ų | 55.2 | 25% | 0.247 | 29% | 0.291 | C | S | . | . | S | Bend | cis | -66.7 | 165.1 | -2.7 | 32.1 | -41 | 0 | 0 | 0 | 114.1 | G334 D338 Y339 F366 | G334-P336 CarbonylContact C-O 3.53Å; P336-D338 VanDerWaalsContact CB-OD1 3.25Å; P336-D338 WeakPolarHBondContact CB-OD1 3.34Å; P336-D338 WeakPolarHBondContact CG-OD1 3.38Å; P336-D338 PolarHBondContact O-N 2.96Å; P336-Y339 WeakPolarHBondContact O-CD1 3.2Å; P336-Y339 PolarHBondContact O-N 3.44Å; P336-F366 HydrophobicContact CG-CD1 3.96Å; P336-F366 HydrophobicContact CG-CE1 3.63Å; P336-F366 HydrophobicContact CG-CZ 4.4Å |
| 337 | E | 87.3 | Confident | 92.9 | Very high | 180 Ų | 180 | 56.6 Ų | 56.6 | 84% | 0.841 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -21 | -174.8 | -69.8 | -169 | 166 | 0 | 0 | 113.8 | Y339 P340 | E337-Y339 VanDerWaalsContact C-N 3.3Å; E337-P340 VanDerWaalsContact O-CD 3.29Å; E337-P340 WeakPolarHBondContact O-CD 3.46Å |
| 338 | D | 91.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 63.3 Ų | 63.3 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 9.2 | 180 | 68.3 | -31.6 | 0 | 0 | 0 | 113.7 | P336 P340 R341 H363 | P336-D338 VanDerWaalsContact CB-OD1 3.25Å; P336-D338 WeakPolarHBondContact CB-OD1 3.34Å; P336-D338 WeakPolarHBondContact CG-OD1 3.38Å; P336-D338 PolarHBondContact O-N 2.96Å; D338-P340 WeakPolarHBondContact O-CD 3.11Å; D338-R341 WeakPolarHBondContact O-CB 3.45Å; D338-R341 PolarHBondContact O-N 3.47Å; D338-H363 IonicContact OD1-NE2 3.33Å; D338-H363 IonicContact OD2-CE1 4Å; D338-H363 PolarHBondContact OD2-CE1 2.78Å; D338-H363 VanDerWaalsContact OD2-CE1 3.28Å; D338-H363 IonicContact OD2-NE2 2.6Å |
| 339 | Y | 93.3 | Very high | 92.8 | Very high | 33 Ų | 33 | 64.2 Ų | 64.2 | 13% | 0.129 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -45.9 | -33.6 | 170.7 | 83.4 | -92.9 | 0 | 0 | 0 | 115.4 | I331 G334 P336 E337 R341 F342 F343 L368 | I331-Y339 HydrophobicContact CB-CE2 3.95Å; I331-Y339 HydrophobicContact CD1-CD2 4.45Å; I331-Y339 HydrophobicContact CD1-CE2 4.17Å; I331-Y339 HydrophobicContact CG2-CD2 4.15Å; I331-Y339 HydrophobicContact CG2-CE2 3.39Å; G334-Y339 VanDerWaalsContact N-CE1 3.31Å; P336-Y339 WeakPolarHBondContact O-CD1 3.2Å; P336-Y339 PolarHBondContact O-N 3.44Å; E337-Y339 VanDerWaalsContact C-N 3.3Å; Y339-R341 PolarHBondContact O-N 2.75Å; Y339-R341 VanDerWaalsContact O-N 3.13Å; Y339-F342 PolarHBondContact O-N 3.45Å; Y339-F343 PolarHBondContact O-N 3.14Å; Y339-L368 HydrophobicContact CD1-CD2 4.27Å; Y339-L368 HydrophobicContact CD2-CD2 3.85Å; Y339-L368 HydrophobicContact CG-CD2 3.68Å |
| 340 | P | 93.1 | Very high | 92.6 | Very high | 70 Ų | 70 | 63.5 Ų | 63.5 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -65.7 | -15.7 | -179.7 | -20.4 | 34.2 | 0 | 0 | 0 | 113.5 | E337 D338 F342 | E337-P340 VanDerWaalsContact O-CD 3.29Å; E337-P340 WeakPolarHBondContact O-CD 3.46Å; D338-P340 WeakPolarHBondContact O-CD 3.11Å; P340-F342 VanDerWaalsContact C-N 3.33Å |
| 341 | R | 92.4 | Very high | 92.5 | Very high | 136 Ų | 136 | 66.4 Ų | 66.4 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -72.9 | -28.8 | 171.9 | -66.7 | -175.2 | 60.4 | -167.7 | -9.6 | 112.5 | D338 Y339 L355 E356 | D338-R341 WeakPolarHBondContact O-CB 3.45Å; D338-R341 PolarHBondContact O-N 3.47Å; Y339-R341 PolarHBondContact O-N 2.75Å; Y339-R341 VanDerWaalsContact O-N 3.13Å; R341-L355 WeakPolarHBondContact O-CB 3.49Å; R341-E356 IonicContact CZ-OE2 2.72Å; R341-E356 IonicContact NE-OE2 2.64Å; R341-E356 IonicContact NH2-OE1 2.7Å; R341-E356 IonicContact NH2-OE2 3.76Å; R341-E356 PolarHBondContact NH2-OE2 2.72Å |
| 342 | F | 94.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 65.1 Ų | 65.1 | 7% | 0.066 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -38.2 | -172.5 | -59.1 | -72.2 | 0 | 0 | 0 | 112.2 | Y339 P340 L354 L355 E356 V358 H363 F366 | Y339-F342 PolarHBondContact O-N 3.45Å; P340-F342 VanDerWaalsContact C-N 3.33Å; F342-L354 CarbonylContact O-C 3.58Å; F342-L354 VanDerWaalsContact O-CA 3.32Å; F342-L354 WeakPolarHBondContact O-CA 3.21Å; F342-L355 PolarHBondContact O-N 3.36Å; F342-E356 HydrophobicContact CD1-CB 4.06Å; F342-E356 HydrophobicContact CE1-CB 4.3Å; F342-V358 HydrophobicContact CB-CG2 4.3Å; F342-V358 HydrophobicContact CD1-CG2 3.79Å; F342-V358 HydrophobicContact CE1-CG2 4.42Å; F342-V358 HydrophobicContact CG-CG2 4.18Å; F342-H363 AromaticContact CE2-CE1 3.72Å; F342-H363 AromaticContact CE2-ND1 3.74Å; F342-H363 AromaticContact CZ-CE1 3.89Å; F342-H363 AromaticContact CZ-ND1 3.75Å; F342-F366 AromaticContact CD2-CE1 3.74Å; F342-F366 HydrophobicContact CD2-CE1 3.74Å; F342-F366 AromaticContact CD2-CZ 3.67Å; F342-F366 HydrophobicContact CD2-CZ 3.67Å; F342-F366 HydrophobicContact CE2-CE1 4.31Å; F342-F366 HydrophobicContact CE2-CZ 4.09Å; F342-F366 HydrophobicContact CG-CE1 4.48Å; F342-F366 HydrophobicContact CG-CZ 4.15Å |
| 343 | F | 95.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.8 | -170.9 | -57.5 | -72.9 | 0 | 0 | 0 | 112.9 | I291 I303 I331 Y339 L352 T353 L354 V358 F366 L368 I388 | I291-F343 HydrophobicContact CD1-CE1 3.67Å; I291-F343 HydrophobicContact CD1-CZ 4.17Å; I303-F343 HydrophobicContact CD1-CD1 3.73Å; I303-F343 HydrophobicContact CD1-CE1 3.73Å; I331-F343 HydrophobicContact CD1-CB 4.41Å; Y339-F343 PolarHBondContact O-N 3.14Å; F343-L352 HydrophobicContact CB-CD1 4.14Å; F343-L352 HydrophobicContact CD1-CD2 4.34Å; F343-L352 HydrophobicContact CD1-CG 4.38Å; F343-T353 WeakPolarHBondContact CA-O 3.19Å; F343-L354 HydrophobicContact CD1-CD1 4.28Å; F343-L354 HydrophobicContact CE1-CD1 3.78Å; F343-L354 HydrophobicContact CZ-CD1 4.27Å; F343-V358 HydrophobicContact CZ-CG2 4.35Å; F343-F366 HydrophobicContact CD2-CD1 4.15Å; F343-F366 HydrophobicContact CD2-CE1 4.46Å; F343-F366 HydrophobicContact CD2-CG 4.24Å; F343-F366 HydrophobicContact CE2-CB 4.11Å; F343-F366 AromaticContact CE2-CD1 3.66Å; F343-F366 HydrophobicContact CE2-CD1 3.66Å; F343-F366 AromaticContact CE2-CD2 3.46Å; F343-F366 HydrophobicContact CE2-CD2 3.46Å; F343-F366 VanDerWaalsContact CE2-CD2 3.46Å; F343-F366 AromaticContact CE2-CE1 3.88Å; F343-F366 HydrophobicContact CE2-CE1 3.88Å; F343-F366 AromaticContact CE2-CE2 3.69Å; F343-F366 HydrophobicContact CE2-CE2 3.69Å; F343-F366 AromaticContact CE2-CG 3.45Å; F343-F366 HydrophobicContact CE2-CG 3.45Å; F343-F366 VanDerWaalsContact CE2-CG 3.45Å; F343-F366 AromaticContact CE2-CZ 3.9Å; F343-F366 HydrophobicContact CE2-CZ 3.9Å; F343-F366 AromaticContact CZ-CD2 3.88Å; F343-F366 HydrophobicContact CZ-CD2 3.88Å; F343-F366 HydrophobicContact CZ-CE2 4.1Å; F343-F366 HydrophobicContact CZ-CG 4.26Å; F343-L368 HydrophobicContact CD2-CD1 4.45Å; F343-I388 HydrophobicContact CD1-CD1 3.91Å; F343-I388 HydrophobicContact CD2-CD1 4.18Å; F343-I388 HydrophobicContact CE1-CD1 3.73Å; F343-I388 HydrophobicContact CE1-CG2 4.37Å; F343-I388 HydrophobicContact CE2-CD1 4.02Å; F343-I388 HydrophobicContact CG-CD1 4.13Å; F343-I388 HydrophobicContact CZ-CD1 3.79Å; F343-I388 HydrophobicContact CZ-CG2 4.1Å |
| 344 | H | 94.2 | Very high | 92.7 | Very high | 93 Ų | 93 | 59 Ų | 59 | 43% | 0.431 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 132.9 | 169.4 | 174 | -93.2 | 0 | 0 | 0 | 109.9 | T353 L355 | H344-T353 PolarHBondContact N-O 3.29Å; H344-T353 PolarHBondContact O-N 2.85Å; H344-T353 PolarHBondContact O-OG1 2.96Å; H344-L355 HydrophobicContact CB-CD1 4.1Å; H344-L355 HydrophobicContact CB-CD2 4.1Å; H344-L355 HydrophobicContact CB-CG 4.17Å |
| 345 | M | 94.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 62.8 Ų | 62.8 | 5% | 0.054 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.3 | 176 | -174.8 | 169.7 | 59 | 0 | 0 | 110.1 | I309 S330 I331 A350 E351 L352 I370 | I309-M345 HydrophobicContact CD1-SD 4.44Å; S330-M345 WeakPolarHBondContact O-CE 3.28Å; I331-M345 HydrophobicContact CD1-CB 4.06Å; I331-M345 HydrophobicContact CG1-CB 3.92Å; I331-M345 HydrophobicContact CG1-CE 3.98Å; M345-A350 HydrophobicContact SD-CB 4.37Å; M345-E351 WeakPolarHBondContact CA-O 3.27Å; M345-L352 HydrophobicContact CB-CD1 4.39Å; M345-I370 HydrophobicContact CE-CB 4.11Å; M345-I370 HydrophobicContact CE-CG2 3.87Å; M345-I370 HydrophobicContact SD-CG2 4.04Å |
| 346 | H | 94.1 | Very high | 92.7 | Very high | 76 Ų | 76 | 62.7 Ų | 62.7 | 35% | 0.352 | 31% | 0.305 | S | S | . | . | trans | -68.8 | 130.8 | -179.6 | -175.9 | -91.9 | 0 | 0 | 0 | 111.1 | R348 T349 A350 E351 | H346-R348 VanDerWaalsContact C-N 3.28Å; H346-R348 PolarHBondContact ND1-N 3.06Å; H346-R348 PolarHBondContact O-N 3.2Å; H346-R348 VanDerWaalsContact O-N 3.14Å; H346-T349 WeakPolarHBondContact CB-OG1 3.49Å; H346-T349 VanDerWaalsContact CG-OG1 3.29Å; H346-T349 PolarHBondContact ND1-N 2.82Å; H346-T349 PolarHBondContact ND1-OG1 2.92Å; H346-A350 WeakPolarHBondContact O-CA 3.1Å; H346-A350 PolarHBondContact O-N 3.14Å; H346-E351 HydrophobicContact CB-CB 4.34Å; H346-E351 PolarHBondContact N-O 2.78Å | ||
| 347 | P | 93.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 63.7 Ų | 63.7 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -19.6 | -165.3 | 24.5 | -35 | 0 | 0 | 0 | 114.9 | L328 Y329 | L328-P347 CarbonylContact C-O 3.45Å; L328-P347 VanDerWaalsContact CA-O 3.28Å; L328-P347 WeakPolarHBondContact CA-O 3.1Å; Y329-P347 PolarHBondContact N-O 2.82Å; Y329-P347 WeakPolarHBondContact O-CA 3.16Å |
| 348 | R | 91.3 | Very high | 92.8 | Very high | 169 Ų | 169 | 55.2 Ų | 55.2 | 64% | 0.638 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -29.5 | -179.1 | -63.9 | -178.1 | -172.5 | -90.6 | 0.6 | 114.3 | L328 H346 | L328-R348 HydrophobicContact CD2-CG 4.36Å; H346-R348 VanDerWaalsContact C-N 3.28Å; H346-R348 PolarHBondContact ND1-N 3.06Å; H346-R348 PolarHBondContact O-N 3.2Å; H346-R348 VanDerWaalsContact O-N 3.14Å |
| 349 | T | 90.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 55 Ų | 55 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -12 | -174.9 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | H346 E351 | H346-T349 WeakPolarHBondContact CB-OG1 3.49Å; H346-T349 VanDerWaalsContact CG-OG1 3.29Å; H346-T349 PolarHBondContact ND1-N 2.82Å; H346-T349 PolarHBondContact ND1-OG1 2.92Å; T349-E351 PolarHBondContact O-N 2.73Å; T349-E351 VanDerWaalsContact O-N 3.14Å; T349-E351 WeakPolarHBondContact OG1-CG 3.21Å; T349-E351 PolarHBondContact OG1-OE2 3.06Å |
| 350 | A | 90.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 5% | 0.05 | 28% | 0.275 | C | S | . | . | trans | 56.7 | 17.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I309 Y329 M345 H346 L352 | I309-A350 HydrophobicContact CB-CB 3.91Å; I309-A350 HydrophobicContact CG2-CB 3.65Å; Y329-A350 HydrophobicContact CD1-CB 3.78Å; Y329-A350 HydrophobicContact CD2-CB 3.81Å; Y329-A350 HydrophobicContact CE1-CB 4.05Å; Y329-A350 HydrophobicContact CE2-CB 4.09Å; Y329-A350 HydrophobicContact CG-CB 3.64Å; M345-A350 HydrophobicContact SD-CB 4.37Å; H346-A350 WeakPolarHBondContact O-CA 3.1Å; H346-A350 PolarHBondContact O-N 3.14Å; A350-L352 PolarHBondContact O-N 2.84Å | ||
| 351 | E | 92.1 | Very high | 91.5 | Very high | 100 Ų | 100 | 57.3 Ų | 57.3 | 47% | 0.467 | 28% | 0.277 | S | S | . | . | trans | -68.8 | 124.4 | 176.3 | -73.5 | 165.9 | 154.8 | 0 | 0 | 109.7 | M345 H346 T349 | M345-E351 WeakPolarHBondContact CA-O 3.27Å; H346-E351 HydrophobicContact CB-CB 4.34Å; H346-E351 PolarHBondContact N-O 2.78Å; T349-E351 PolarHBondContact O-N 2.73Å; T349-E351 VanDerWaalsContact O-N 3.14Å; T349-E351 WeakPolarHBondContact OG1-CG 3.21Å; T349-E351 PolarHBondContact OG1-OE2 3.06Å | ||
| 352 | L | 94.3 | Very high | 91 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 128.6 | 176.6 | -170.6 | 73.5 | 0 | 0 | 0 | 109.1 | I303 V305 I331 F343 M345 A350 L386 I388 | I303-L352 HydrophobicContact CB-CB 4.26Å; I303-L352 HydrophobicContact CB-CD2 4.15Å; I303-L352 HydrophobicContact CB-CG 4.37Å; I303-L352 WeakPolarHBondContact CB-O 3.11Å; I303-L352 HydrophobicContact CD1-CD2 3.9Å; I303-L352 HydrophobicContact CD1-CG 3.9Å; I303-L352 HydrophobicContact CG2-CD2 4.04Å; I303-L352 PolarHBondContact N-O 3.24Å; V305-L352 HydrophobicContact CG2-CB 4.16Å; V305-L352 HydrophobicContact CG2-CD2 4.04Å; I331-L352 HydrophobicContact CD1-CD1 4.33Å; F343-L352 HydrophobicContact CB-CD1 4.14Å; F343-L352 HydrophobicContact CD1-CD2 4.34Å; F343-L352 HydrophobicContact CD1-CG 4.38Å; M345-L352 HydrophobicContact CB-CD1 4.39Å; A350-L352 PolarHBondContact O-N 2.84Å; L352-L386 HydrophobicContact CD1-CD2 4.31Å; L352-L386 HydrophobicContact CD2-CD2 3.97Å; L352-I388 HydrophobicContact CD2-CD1 3.79Å |
| 353 | T | 94.3 | Very high | 90.7 | Very high | 35 Ų | 35 | 59.2 Ų | 59.2 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.1 | -179 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | N301 F343 H344 | N301-T353 VanDerWaalsContact OD1-CA 3.26Å; N301-T353 WeakPolarHBondContact OD1-CA 3.37Å; F343-T353 WeakPolarHBondContact CA-O 3.19Å; H344-T353 PolarHBondContact N-O 3.29Å; H344-T353 PolarHBondContact O-N 2.85Å; H344-T353 PolarHBondContact O-OG1 2.96Å |
| 354 | L | 94.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 131.7 | 170.5 | -168.1 | 71.6 | 0 | 0 | 0 | 109.8 | P297 L300 N301 I303 F342 F343 E356 V358 | P297-L354 WeakPolarHBondContact CB-O 3.2Å; L300-L354 HydrophobicContact CD2-CB 4.06Å; L300-L354 HydrophobicContact CD2-CD2 3.77Å; L300-L354 HydrophobicContact CD2-CG 4.42Å; N301-L354 PolarHBondContact ND2-O 3.03Å; N301-L354 PolarHBondContact OD1-N 3.31Å; I303-L354 HydrophobicContact CD1-CB 4.01Å; I303-L354 HydrophobicContact CG1-CB 4.46Å; F342-L354 CarbonylContact O-C 3.58Å; F342-L354 VanDerWaalsContact O-CA 3.32Å; F342-L354 WeakPolarHBondContact O-CA 3.21Å; F343-L354 HydrophobicContact CD1-CD1 4.28Å; F343-L354 HydrophobicContact CE1-CD1 3.78Å; F343-L354 HydrophobicContact CZ-CD1 4.27Å; L354-E356 WeakPolarHBondContact CD1-O 3.37Å; L354-E356 WeakPolarHBondContact CG-O 3.45Å; L354-V358 HydrophobicContact CD1-CG2 3.87Å |
| 355 | L | 93 | Very high | 90.2 | Very high | 90 Ų | 90 | 65.4 Ų | 65.4 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -100 | -43.2 | 178.4 | -62.9 | 177.1 | 0 | 0 | 0 | 112.4 | P297 R341 F342 H344 | P297-L355 WeakPolarHBondContact CG-O 3.33Å; R341-L355 WeakPolarHBondContact O-CB 3.49Å; F342-L355 PolarHBondContact O-N 3.36Å; H344-L355 HydrophobicContact CB-CD1 4.1Å; H344-L355 HydrophobicContact CB-CD2 4.1Å; H344-L355 HydrophobicContact CB-CG 4.17Å |
| 356 | E | 90.5 | Very high | 90.2 | Very high | 82 Ų | 82 | 64.9 Ų | 64.9 | 38% | 0.383 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -128.4 | 142.1 | 179.5 | -71.4 | -178.1 | -172.9 | 0 | 0 | 109.1 | R341 F342 L354 V358 | R341-E356 IonicContact CZ-OE2 2.72Å; R341-E356 IonicContact NE-OE2 2.64Å; R341-E356 IonicContact NH2-OE1 2.7Å; R341-E356 IonicContact NH2-OE2 3.76Å; R341-E356 PolarHBondContact NH2-OE2 2.72Å; F342-E356 HydrophobicContact CD1-CB 4.06Å; F342-E356 HydrophobicContact CE1-CB 4.3Å; L354-E356 WeakPolarHBondContact CD1-O 3.37Å; L354-E356 WeakPolarHBondContact CG-O 3.45Å; E356-V358 PolarHBondContact O-N 2.97Å |
| 357 | P | 90.6 | Very high | 90.2 | Very high | 59 Ų | 59 | 64 Ų | 64 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 134.9 | 171.7 | -22.1 | 31.8 | 0 | 0 | 0 | 111.2 | ||
| 358 | V | 89.4 | Confident | 90.3 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -93.5 | 126.3 | 177.5 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | E293 L294 F342 F343 L354 E356 H363 F366 I390 | E293-V358 WeakPolarHBondContact CA-O 3.27Å; L294-V358 PolarHBondContact N-O 3.37Å; F342-V358 HydrophobicContact CB-CG2 4.3Å; F342-V358 HydrophobicContact CD1-CG2 3.79Å; F342-V358 HydrophobicContact CE1-CG2 4.42Å; F342-V358 HydrophobicContact CG-CG2 4.18Å; F343-V358 HydrophobicContact CZ-CG2 4.35Å; L354-V358 HydrophobicContact CD1-CG2 3.87Å; E356-V358 PolarHBondContact O-N 2.97Å; V358-H363 HydrophobicContact CG1-CB 3.94Å; V358-F366 HydrophobicContact CG1-CE2 3.87Å; V358-F366 HydrophobicContact CG1-CZ 4.26Å; V358-F366 HydrophobicContact CG2-CE2 4.36Å; V358-I390 HydrophobicContact CB-CD1 4.19Å; V358-I390 HydrophobicContact CG1-CD1 4.01Å; V358-I390 HydrophobicContact CG1-CG1 3.95Å; V358-I390 HydrophobicContact CG1-CG2 4.4Å; V358-I390 HydrophobicContact CG2-CD1 4.35Å |
| 359 | N | 86.3 | Confident | 90.4 | Very high | 44 Ų | 44 | 55.5 Ų | 55.5 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 124.6 | 168.4 | 176.8 | -31 | 0 | 0 | 0 | 108.6 | L294 D361 F362 H363 | L294-N359 HydrophobicContact CD2-CB 3.85Å; N359-D361 VanDerWaalsContact C-N 3.25Å; N359-D361 PolarHBondContact O-N 3.17Å; N359-D361 WeakPolarHBondContact OD1-CB 3.4Å; N359-D361 PolarHBondContact OD1-N 3.08Å; N359-D361 PolarHBondContact OD1-OD2 2.77Å; N359-F362 HydrophobicContact CB-CD2 3.96Å; N359-F362 HydrophobicContact CB-CE2 4.46Å; N359-F362 PolarHBondContact O-N 2.92Å; N359-H363 PolarHBondContact O-N 3.27Å |
| 360 | R | 85.5 | Confident | 90.6 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 21% | 0.211 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -28.1 | -175.2 | -173.3 | 178.2 | 167.9 | -111.7 | 1.2 | 112.9 | E293 F362 H363 Q364 I390 D392 D437 | E293-R360 HydrophobicContact CB-CB 3.98Å; E293-R360 HydrophobicContact CG-CB 4.38Å; E293-R360 VanDerWaalsContact OE2-CB 3.27Å; E293-R360 WeakPolarHBondContact OE2-CB 3.36Å; E293-R360 PolarHBondContact OE2-N 2.95Å; E293-R360 VanDerWaalsContact OE2-N 3.08Å; R360-F362 PolarHBondContact O-N 3.48Å; R360-F362 VanDerWaalsContact O-N 3.17Å; R360-H363 CarbonylContact O-C 3.48Å; R360-H363 PolarHBondContact O-N 2.98Å; R360-Q364 HydrophobicContact CG-CG 4.37Å; R360-I390 HydrophobicContact CB-CG2 3.86Å; R360-I390 HydrophobicContact CG-CB 4.44Å; R360-I390 HydrophobicContact CG-CG2 4.14Å; R360-D392 VanDerWaalsContact CZ-CB 3.43Å; R360-D392 IonicContact CZ-OD1 3.76Å; R360-D392 IonicContact NE-OD1 2.64Å; R360-D392 VanDerWaalsContact NH1-CB 3.33Å; R360-D392 IonicContact NH1-OD1 2.88Å; R360-D392 PolarHBondContact NH1-OD1 3.21Å; R360-D392 IonicContact NH1-OD2 3.85Å; R360-D392 PolarHBondContact NH1-OD2 2.87Å; R360-D437 PolarHBondContact NH1-O 2.95Å |
| 361 | D | 79.3 | Confident | 90.7 | Very high | 94 Ų | 94 | 53.8 Ų | 53.8 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -33.4 | 176.5 | -67.9 | -29.9 | 0 | 0 | 0 | 112.4 | N359 | N359-D361 VanDerWaalsContact C-N 3.25Å; N359-D361 PolarHBondContact O-N 3.17Å; N359-D361 WeakPolarHBondContact OD1-CB 3.4Å; N359-D361 PolarHBondContact OD1-N 3.08Å; N359-D361 PolarHBondContact OD1-OD2 2.77Å |
| 362 | F | 83.4 | Confident | 90.7 | Very high | 157 Ų | 157 | 49 Ų | 49 | 69% | 0.689 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -37.9 | 180 | -59.7 | -79.3 | 0 | 0 | 0 | 111.8 | N359 R360 | N359-F362 HydrophobicContact CB-CD2 3.96Å; N359-F362 HydrophobicContact CB-CE2 4.46Å; N359-F362 PolarHBondContact O-N 2.92Å; R360-F362 PolarHBondContact O-N 3.48Å; R360-F362 VanDerWaalsContact O-N 3.17Å |
| 363 | H | 87 | Confident | 90.6 | Very high | 34 Ų | 34 | 51.8 Ų | 51.8 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | trans | -137.8 | 99.1 | -172.7 | -59.1 | 120.5 | 0 | 0 | 0 | 111.4 | D338 F342 V358 N359 R360 F366 I390 | D338-H363 IonicContact OD1-NE2 3.33Å; D338-H363 IonicContact OD2-CE1 4Å; D338-H363 PolarHBondContact OD2-CE1 2.78Å; D338-H363 VanDerWaalsContact OD2-CE1 3.28Å; D338-H363 IonicContact OD2-NE2 2.6Å; F342-H363 AromaticContact CE2-CE1 3.72Å; F342-H363 AromaticContact CE2-ND1 3.74Å; F342-H363 AromaticContact CZ-CE1 3.89Å; F342-H363 AromaticContact CZ-ND1 3.75Å; V358-H363 HydrophobicContact CG1-CB 3.94Å; N359-H363 PolarHBondContact O-N 3.27Å; R360-H363 CarbonylContact O-C 3.48Å; R360-H363 PolarHBondContact O-N 2.98Å; H363-F366 HydrophobicContact CB-CE2 3.72Å; H363-F366 HydrophobicContact CB-CZ 3.62Å; H363-F366 AromaticContact CG-CZ 3.79Å; H363-I390 VanDerWaalsContact O-CG1 3.27Å; H363-I390 WeakPolarHBondContact O-CG1 3.4Å | ||
| 364 | Q | 86.2 | Confident | 90.4 | Very high | 124 Ų | 124 | 50.2 Ų | 50.2 | 58% | 0.579 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -77.3 | -26.6 | 177.5 | -64.9 | 179 | -1.9 | 0 | 0 | 113.2 | R360 I390 | R360-Q364 HydrophobicContact CG-CG 4.37Å; Q364-I390 WeakPolarHBondContact O-CB 3.29Å; Q364-I390 PolarHBondContact O-N 2.88Å |
| 365 | K | 91.7 | Very high | 90.1 | Very high | 105 Ų | 105 | 53.9 Ų | 53.9 | 46% | 0.457 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 156.2 | -177.4 | 69.2 | -173.8 | -164.9 | 138.7 | 0 | 112.4 | D367 I388 | K365-D367 WeakPolarHBondContact CE-OD2 3.36Å; K365-D367 IonicContact NZ-OD2 3.51Å; K365-D367 PolarHBondContact NZ-OD2 3.31Å; K365-I388 CarbonylContact C-O 3.56Å; K365-I388 WeakPolarHBondContact CA-O 3.31Å; K365-I388 WeakPolarHBondContact CB-O 3.49Å |
| 366 | F | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.9 | 169.5 | -62.9 | -101.8 | 0 | 0 | 0 | 110.3 | T335 P336 F342 F343 V358 H363 L368 I388 I390 | T335-F366 WeakPolarHBondContact O-CA 3.32Å; P336-F366 HydrophobicContact CG-CD1 3.96Å; P336-F366 HydrophobicContact CG-CE1 3.63Å; P336-F366 HydrophobicContact CG-CZ 4.4Å; F342-F366 AromaticContact CD2-CE1 3.74Å; F342-F366 HydrophobicContact CD2-CE1 3.74Å; F342-F366 AromaticContact CD2-CZ 3.67Å; F342-F366 HydrophobicContact CD2-CZ 3.67Å; F342-F366 HydrophobicContact CE2-CE1 4.31Å; F342-F366 HydrophobicContact CE2-CZ 4.09Å; F342-F366 HydrophobicContact CG-CE1 4.48Å; F342-F366 HydrophobicContact CG-CZ 4.15Å; F343-F366 HydrophobicContact CD2-CD1 4.15Å; F343-F366 HydrophobicContact CD2-CE1 4.46Å; F343-F366 HydrophobicContact CD2-CG 4.24Å; F343-F366 HydrophobicContact CE2-CB 4.11Å; F343-F366 AromaticContact CE2-CD1 3.66Å; F343-F366 HydrophobicContact CE2-CD1 3.66Å; F343-F366 AromaticContact CE2-CD2 3.46Å; F343-F366 HydrophobicContact CE2-CD2 3.46Å; F343-F366 VanDerWaalsContact CE2-CD2 3.46Å; F343-F366 AromaticContact CE2-CE1 3.88Å; F343-F366 HydrophobicContact CE2-CE1 3.88Å; F343-F366 AromaticContact CE2-CE2 3.69Å; F343-F366 HydrophobicContact CE2-CE2 3.69Å; F343-F366 AromaticContact CE2-CG 3.45Å; F343-F366 HydrophobicContact CE2-CG 3.45Å; F343-F366 VanDerWaalsContact CE2-CG 3.45Å; F343-F366 AromaticContact CE2-CZ 3.9Å; F343-F366 HydrophobicContact CE2-CZ 3.9Å; F343-F366 AromaticContact CZ-CD2 3.88Å; F343-F366 HydrophobicContact CZ-CD2 3.88Å; F343-F366 HydrophobicContact CZ-CE2 4.1Å; F343-F366 HydrophobicContact CZ-CG 4.26Å; V358-F366 HydrophobicContact CG1-CE2 3.87Å; V358-F366 HydrophobicContact CG1-CZ 4.26Å; V358-F366 HydrophobicContact CG2-CE2 4.36Å; H363-F366 HydrophobicContact CB-CE2 3.72Å; H363-F366 HydrophobicContact CB-CZ 3.62Å; H363-F366 AromaticContact CG-CZ 3.79Å; F366-L368 HydrophobicContact CB-CD2 4.22Å; F366-L368 HydrophobicContact CB-CG 4.33Å; F366-I388 HydrophobicContact CB-CB 4.14Å; F366-I388 HydrophobicContact CB-CD1 4.38Å; F366-I388 PolarHBondContact N-O 2.88Å; F366-I388 PolarHBondContact O-N 3Å; F366-I390 HydrophobicContact CD2-CD1 4.34Å; F366-I390 HydrophobicContact CD2-CG1 4.44Å; F366-I390 HydrophobicContact CE2-CD1 4.27Å; F366-I390 HydrophobicContact CE2-CG1 4.28Å |
| 367 | D | 94.3 | Very high | 89.3 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 32% | 0.316 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 101.5 | 176.1 | -82.3 | -62.1 | 0 | 0 | 0 | 107.6 | G334 T335 K365 H387 | G334-D367 CarbonylContact C-O 3.59Å; G334-D367 VanDerWaalsContact CA-O 3.26Å; G334-D367 WeakPolarHBondContact CA-O 3.31Å; T335-D367 PolarHBondContact N-O 2.93Å; T335-D367 PolarHBondContact O-N 3.16Å; T335-D367 WeakPolarHBondContact OG1-CB 3.06Å; K365-D367 WeakPolarHBondContact CE-OD2 3.36Å; K365-D367 IonicContact NZ-OD2 3.51Å; K365-D367 PolarHBondContact NZ-OD2 3.31Å; D367-H387 IonicContact OD1-CE1 2.82Å; D367-H387 PolarHBondContact OD1-CE1 2.9Å; D367-H387 VanDerWaalsContact OD1-CE1 3.28Å; D367-H387 IonicContact OD1-CG 3.67Å; D367-H387 IonicContact OD1-ND1 3.98Å; D367-H387 PolarHBondContact OD1-ND1 2.97Å; D367-H387 IonicContact OD2-CE1 3.65Å; D367-H387 IonicContact OD2-ND1 3.93Å |
| 368 | L | 94.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 148.3 | -174.4 | -51.4 | -176.8 | 0 | 0 | 0 | 111.5 | I331 Y339 F343 F366 S385 L386 I388 | I331-L368 HydrophobicContact CD1-CD1 4.26Å; I331-L368 HydrophobicContact CG2-CB 4.26Å; Y339-L368 HydrophobicContact CD1-CD2 4.27Å; Y339-L368 HydrophobicContact CD2-CD2 3.85Å; Y339-L368 HydrophobicContact CG-CD2 3.68Å; F343-L368 HydrophobicContact CD2-CD1 4.45Å; F366-L368 HydrophobicContact CB-CD2 4.22Å; F366-L368 HydrophobicContact CB-CG 4.33Å; L368-S385 WeakPolarHBondContact O-CA 3.48Å; L368-L386 HydrophobicContact CB-CB 4.22Å; L368-L386 HydrophobicContact CD1-CD2 4.11Å; L368-L386 PolarHBondContact N-O 2.86Å; L368-L386 PolarHBondContact O-N 3.45Å; L368-I388 HydrophobicContact CD1-CD1 3.72Å; L368-I388 HydrophobicContact CG-CD1 4.44Å |
| 369 | V | 93.8 | Very high | 88.5 | Confident | 43 Ų | 43 | 55.9 Ų | 55.9 | 26% | 0.261 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.5 | 171 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | L332 V333 F383 A384 | L332-V369 WeakPolarHBondContact CB-O 3.43Å; L332-V369 HydrophobicContact CD2-CG1 4.41Å; L332-V369 PolarHBondContact N-O 3.31Å; V333-V369 HydrophobicContact CG2-CB 3.88Å; V333-V369 HydrophobicContact CG2-CG2 3.97Å; V333-V369 PolarHBondContact O-N 3.29Å; V369-F383 HydrophobicContact CG1-CB 4.49Å; V369-A384 CarbonylContact C-O 3.54Å; V369-A384 WeakPolarHBondContact CA-O 3.38Å |
| 370 | I | 94.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 146.3 | 177.7 | 60.2 | 172.7 | 0 | 0 | 0 | 110.5 | F270 Y287 I309 S330 I331 M345 F383 A384 L386 | F270-I370 HydrophobicContact CE1-CD1 3.84Å; F270-I370 HydrophobicContact CE1-CG1 4.36Å; F270-I370 HydrophobicContact CZ-CD1 3.97Å; F270-I370 HydrophobicContact CZ-CG1 3.97Å; Y287-I370 HydrophobicContact CD2-CD1 3.82Å; Y287-I370 HydrophobicContact CE2-CD1 3.92Å; I309-I370 HydrophobicContact CD1-CD1 3.97Å; I309-I370 HydrophobicContact CG1-CD1 4.21Å; I309-I370 HydrophobicContact CG2-CD1 3.69Å; S330-I370 CarbonylContact O-C 3.54Å; S330-I370 WeakPolarHBondContact O-CA 3.42Å; I331-I370 HydrophobicContact CG1-CG2 4.41Å; M345-I370 HydrophobicContact CE-CB 4.11Å; M345-I370 HydrophobicContact CE-CG2 3.87Å; M345-I370 HydrophobicContact SD-CG2 4.04Å; I370-F383 VanDerWaalsContact O-CA 3.31Å; I370-F383 WeakPolarHBondContact O-CA 3.4Å; I370-A384 HydrophobicContact CD1-CB 4.18Å; I370-A384 HydrophobicContact CG1-CB 3.88Å; I370-A384 WeakPolarHBondContact CG1-O 3.36Å; I370-A384 PolarHBondContact N-O 2.83Å; I370-A384 PolarHBondContact O-N 2.87Å; I370-L386 HydrophobicContact CG2-CB 4.34Å; I370-L386 HydrophobicContact CG2-CD2 4.3Å |
| 371 | K | 92.9 | Very high | 88.7 | Confident | 37 Ų | 37 | 57.8 Ų | 57.8 | 16% | 0.161 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 135 | -179.4 | 179.2 | -172.2 | 174.5 | -153.9 | 0 | 109.5 | Y329 S330 L332 E373 P381 A382 F383 | Y329-K371 WeakPolarHBondContact CA-O 3.01Å; S330-K371 PolarHBondContact N-O 2.84Å; S330-K371 PolarHBondContact O-N 3.34Å; L332-K371 HydrophobicContact CB-CB 4.37Å; L332-K371 HydrophobicContact CD1-CD 4.48Å; K371-E373 WeakPolarHBondContact CE-OE2 3.38Å; K371-E373 IonicContact NZ-OE1 3.82Å; K371-E373 PolarHBondContact NZ-OE1 3.41Å; K371-E373 IonicContact NZ-OE2 2.98Å; K371-E373 PolarHBondContact NZ-OE2 3.49Å; K371-P381 HydrophobicContact CD-CB 4.49Å; K371-P381 HydrophobicContact CG-CB 4.2Å; K371-A382 CarbonylContact C-O 3.54Å; K371-A382 WeakPolarHBondContact CA-O 3.33Å; K371-F383 HydrophobicContact CB-CD1 3.96Å; K371-F383 HydrophobicContact CB-CE1 4.01Å; K371-F383 HydrophobicContact CD-CE1 3.92Å; K371-F383 HydrophobicContact CG-CD1 4Å; K371-F383 HydrophobicContact CG-CE1 3.64Å |
| 372 | A | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | P268 F270 A311 I327 L328 Y329 P381 A382 | P268-A372 HydrophobicContact CB-CB 4.43Å; P268-A372 HydrophobicContact CG-CB 4.27Å; P268-A372 WeakPolarHBondContact CG-O 3.4Å; F270-A372 HydrophobicContact CE1-CB 4.06Å; F270-A372 HydrophobicContact CE2-CB 3.88Å; F270-A372 HydrophobicContact CZ-CB 3.54Å; A311-A372 HydrophobicContact CB-CB 3.91Å; I327-A372 HydrophobicContact CG2-CB 3.98Å; L328-A372 WeakPolarHBondContact O-CA 3.29Å; Y329-A372 HydrophobicContact CD1-CB 4.22Å; Y329-A372 HydrophobicContact CE1-CB 4.25Å; A372-P381 WeakPolarHBondContact O-CA 3.07Å; A372-A382 PolarHBondContact N-O 3.2Å; A372-A382 PolarHBondContact O-N 2.87Å |
| 373 | E | 92.1 | Very high | 89.6 | Confident | 59 Ų | 59 | 51.4 Ų | 51.4 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 150.8 | 177 | 68.2 | -171.5 | 146.6 | 0 | 0 | 111.6 | I327 L328 K371 P381 | I327-E373 WeakPolarHBondContact CA-O 3.36Å; L328-E373 HydrophobicContact CB-CG 4.13Å; L328-E373 PolarHBondContact N-O 3.14Å; L328-E373 PolarHBondContact O-N 3.15Å; K371-E373 WeakPolarHBondContact CE-OE2 3.38Å; K371-E373 IonicContact NZ-OE1 3.82Å; K371-E373 PolarHBondContact NZ-OE1 3.41Å; K371-E373 IonicContact NZ-OE2 2.98Å; K371-E373 PolarHBondContact NZ-OE2 3.49Å; E373-P381 HydrophobicContact CB-CB 4.29Å |
| 374 | Q | 91.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 50 Ų | 50 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 142 | 173.2 | -76.6 | 154.2 | -55.3 | 0 | 0 | 110.4 | D264 L266 D313 P325 G326 N376 G377 H378 | D264-Q374 PolarHBondContact OD1-NE2 2.64Å; L266-Q374 PolarHBondContact O-NE2 2.78Å; L266-Q374 PolarHBondContact O-OE1 2.84Å; D313-Q374 PolarHBondContact OD1-NE2 2.76Å; P325-Q374 HydrophobicContact CB-CB 3.92Å; P325-Q374 HydrophobicContact CB-CG 4.03Å; P325-Q374 HydrophobicContact CG-CB 4.15Å; P325-Q374 HydrophobicContact CG-CG 3.79Å; G326-Q374 CarbonylContact O-C 3.58Å; G326-Q374 VanDerWaalsContact O-CA 3.31Å; G326-Q374 WeakPolarHBondContact O-CA 3.36Å; Q374-N376 VanDerWaalsContact CB-OD1 3.3Å; Q374-N376 WeakPolarHBondContact CB-OD1 3.5Å; Q374-N376 PolarHBondContact O-N 2.91Å; Q374-G377 PolarHBondContact O-N 2.79Å; Q374-G377 VanDerWaalsContact O-N 3.09Å; Q374-H378 HydrophobicContact CB-CB 3.92Å; Q374-H378 HydrophobicContact CG-CB 4.47Å; Q374-H378 PolarHBondContact OE1-ND1 2.89Å |
| 375 | D | 88.1 | Confident | 90.1 | Very high | 79 Ų | 79 | 47.1 Ų | 47.1 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -14.9 | -175.4 | 64.1 | -2.7 | 0 | 0 | 0 | 114.3 | P325 G326 L328 G377 | P325-D375 WeakPolarHBondContact CA-OD1 3.43Å; P325-D375 WeakPolarHBondContact CB-OD1 3.36Å; G326-D375 WeakPolarHBondContact CA-OD2 3.46Å; G326-D375 PolarHBondContact N-OD1 3.28Å; G326-D375 PolarHBondContact N-OD2 2.93Å; G326-D375 PolarHBondContact O-N 2.91Å; L328-D375 HydrophobicContact CD1-CB 3.89Å; L328-D375 HydrophobicContact CG-CB 4.03Å; D375-G377 VanDerWaalsContact C-N 3.28Å |
| 376 | N | 85.9 | Confident | 90.2 | Very high | 85 Ų | 85 | 42.2 Ų | 42.2 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -2.6 | 172 | 70 | -3.4 | 0 | 0 | 0 | 113.6 | D264 P325 Q374 H378 | D264-N376 PolarHBondContact OD2-ND2 2.8Å; P325-N376 HydrophobicContact CB-CB 4.3Å; Q374-N376 VanDerWaalsContact CB-OD1 3.3Å; Q374-N376 WeakPolarHBondContact CB-OD1 3.5Å; Q374-N376 PolarHBondContact O-N 2.91Å; N376-H378 PolarHBondContact OD1-N 2.87Å; N376-H378 VanDerWaalsContact OD1-N 3.12Å |
| 377 | G | 79.7 | Confident | 90.1 | Very high | 59 Ų | 59 | 44.5 Ų | 44.5 | 61% | 0.608 | 26% | 0.259 | S | S | * | . | trans | 80.4 | 28 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q374 D375 | Q374-G377 PolarHBondContact O-N 2.79Å; Q374-G377 VanDerWaalsContact O-N 3.09Å; D375-G377 VanDerWaalsContact C-N 3.28Å | ||
| 378 | H | 81.7 | Confident | 90.1 | Very high | 27 Ų | 27 | 41.7 Ų | 41.7 | 13% | 0.125 | 24% | 0.244 | C | C | . | . | trans | -53.8 | 140 | 173.4 | -168 | -109 | 0 | 0 | 0 | 112 | D264 L266 Q374 N376 L380 | D264-H378 IonicContact OD1-CD2 3.4Å; D264-H378 IonicContact OD2-CD2 2.73Å; D264-H378 PolarHBondContact OD2-CD2 3.05Å; L266-H378 PolarHBondContact O-CE1 2.85Å; L266-H378 VanDerWaalsContact O-CE1 3.32Å; Q374-H378 HydrophobicContact CB-CB 3.92Å; Q374-H378 HydrophobicContact CG-CB 4.47Å; Q374-H378 PolarHBondContact OE1-ND1 2.89Å; N376-H378 PolarHBondContact OD1-N 2.87Å; N376-H378 VanDerWaalsContact OD1-N 3.12Å; H378-L380 VanDerWaalsContact C-N 3.26Å; H378-L380 PolarHBondContact O-N 3.03Å | ||
| 379 | P | 81.4 | Confident | 90 | Very high | 106 Ų | 106 | 46.7 Ų | 46.7 | 69% | 0.688 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -77.2 | -1.4 | -169 | 30.8 | -37.2 | 0 | 0 | 0 | 115.3 | P381 | P379-P381 VanDerWaalsContact C-CD 3.42Å; P379-P381 WeakPolarHBondContact O-CD 3.49Å |
| 380 | L | 86.2 | Confident | 89.9 | Confident | 93 Ų | 93 | 44.9 Ų | 44.9 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | trans | -110.3 | 76.1 | -175.1 | -62.8 | -179.2 | 0 | 0 | 0 | 112.2 | G267 P268 H378 | G267-L380 WeakPolarHBondContact CA-O 3.19Å; P268-L380 WeakPolarHBondContact CD-O 3.27Å; H378-L380 VanDerWaalsContact C-N 3.26Å; H378-L380 PolarHBondContact O-N 3.03Å | ||
| 381 | P | 90.9 | Very high | 89.3 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | trans | -74.8 | 155.4 | 174.3 | 32.6 | -36 | 0 | 0 | 0 | 112.1 | K371 A372 E373 P379 F383 | K371-P381 HydrophobicContact CD-CB 4.49Å; K371-P381 HydrophobicContact CG-CB 4.2Å; A372-P381 WeakPolarHBondContact O-CA 3.07Å; E373-P381 HydrophobicContact CB-CB 4.29Å; P379-P381 VanDerWaalsContact C-CD 3.42Å; P379-P381 WeakPolarHBondContact O-CD 3.49Å; P381-F383 HydrophobicContact CB-CZ 4.22Å; P381-F383 HydrophobicContact CG-CE2 4.08Å; P381-F383 HydrophobicContact CG-CZ 3.76Å | ||
| 382 | A | 89.5 | Confident | 88.6 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 150.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P268 F270 K371 A372 | P268-A382 VanDerWaalsContact O-CB 3.27Å; P268-A382 WeakPolarHBondContact O-CB 3.47Å; F270-A382 HydrophobicContact CD2-CB 3.93Å; F270-A382 HydrophobicContact CE2-CB 4.05Å; K371-A382 CarbonylContact C-O 3.54Å; K371-A382 WeakPolarHBondContact CA-O 3.33Å; A372-A382 PolarHBondContact N-O 3.2Å; A372-A382 PolarHBondContact O-N 2.87Å |
| 383 | F | 91.6 | Very high | 87.8 | Confident | 98 Ų | 98 | 53.5 Ų | 53.5 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.7 | -179.8 | -53.8 | -78.1 | 0 | 0 | 0 | 111.3 | P284 L332 V369 I370 K371 P381 | P284-F383 VanDerWaalsContact CG-O 3.26Å; P284-F383 WeakPolarHBondContact CG-O 3.43Å; L332-F383 HydrophobicContact CD2-CD1 4.02Å; L332-F383 HydrophobicContact CD2-CE1 3.78Å; V369-F383 HydrophobicContact CG1-CB 4.49Å; I370-F383 VanDerWaalsContact O-CA 3.31Å; I370-F383 WeakPolarHBondContact O-CA 3.4Å; K371-F383 HydrophobicContact CB-CD1 3.96Å; K371-F383 HydrophobicContact CB-CE1 4.01Å; K371-F383 HydrophobicContact CD-CE1 3.92Å; K371-F383 HydrophobicContact CG-CD1 4Å; K371-F383 HydrophobicContact CG-CE1 3.64Å; P381-F383 HydrophobicContact CB-CZ 4.22Å; P381-F383 HydrophobicContact CG-CE2 4.08Å; P381-F383 HydrophobicContact CG-CZ 3.76Å |
| 384 | A | 91.3 | Very high | 87 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 5% | 0.05 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 159.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F270 P284 Y287 V369 I370 | F270-A384 HydrophobicContact CD2-CB 3.74Å; F270-A384 HydrophobicContact CE2-CB 3.86Å; F270-A384 HydrophobicContact CG-CB 4.11Å; F270-A384 HydrophobicContact CZ-CB 4.33Å; P284-A384 HydrophobicContact CB-CB 3.9Å; P284-A384 HydrophobicContact CG-CB 4.08Å; Y287-A384 HydrophobicContact CD2-CB 3.92Å; Y287-A384 HydrophobicContact CE2-CB 3.61Å; V369-A384 CarbonylContact C-O 3.54Å; V369-A384 WeakPolarHBondContact CA-O 3.38Å; I370-A384 HydrophobicContact CD1-CB 4.18Å; I370-A384 HydrophobicContact CG1-CB 3.88Å; I370-A384 WeakPolarHBondContact CG1-O 3.36Å; I370-A384 PolarHBondContact N-O 2.83Å; I370-A384 PolarHBondContact O-N 2.87Å |
| 385 | S | 91.9 | Very high | 86.4 | Confident | 63 Ų | 63 | 55.6 Ų | 55.6 | 44% | 0.441 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135 | 177.8 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | Y287 L368 | Y287-S385 PolarHBondContact N-O 2.93Å; L368-S385 WeakPolarHBondContact O-CA 3.48Å |
| 386 | L | 94 | Very high | 86 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 116.7 | 176.3 | 168.5 | 63.3 | 0 | 0 | 0 | 109 | Y287 V305 I309 L352 L368 I370 I388 | Y287-L386 CarbonylContact O-C 3.59Å; Y287-L386 WeakPolarHBondContact O-CA 3.26Å; V305-L386 HydrophobicContact CG1-CD1 3.68Å; V305-L386 HydrophobicContact CG2-CD1 4.33Å; I309-L386 HydrophobicContact CD1-CD2 4.39Å; L352-L386 HydrophobicContact CD1-CD2 4.31Å; L352-L386 HydrophobicContact CD2-CD2 3.97Å; L368-L386 HydrophobicContact CB-CB 4.22Å; L368-L386 HydrophobicContact CD1-CD2 4.11Å; L368-L386 PolarHBondContact N-O 2.86Å; L368-L386 PolarHBondContact O-N 3.45Å; I370-L386 HydrophobicContact CG2-CB 4.34Å; I370-L386 HydrophobicContact CG2-CD2 4.3Å; L386-I388 HydrophobicContact CD1-CG1 4.39Å; L386-I388 HydrophobicContact CD2-CD1 4.38Å; L386-I388 HydrophobicContact CG-CD1 4.49Å; L386-I388 HydrophobicContact CG-CG1 4.13Å |
| 387 | H | 94.1 | Very high | 85.9 | Confident | 48 Ų | 48 | 53.6 Ų | 53.6 | 22% | 0.222 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.5 | 178.2 | -165 | 63.7 | 0 | 0 | 0 | 109.9 | T286 Y287 Q288 A289 D367 | T286-H387 HydrophobicContact CG2-CB 4.35Å; Y287-H387 PolarHBondContact O-N 2.85Å; Q288-H387 CarbonylContact C-O 3.59Å; Q288-H387 VanDerWaalsContact CA-O 3.27Å; Q288-H387 WeakPolarHBondContact CA-O 3.39Å; Q288-H387 HydrophobicContact CG-CB 4.47Å; A289-H387 PolarHBondContact N-O 2.96Å; D367-H387 IonicContact OD1-CE1 2.82Å; D367-H387 PolarHBondContact OD1-CE1 2.9Å; D367-H387 VanDerWaalsContact OD1-CE1 3.28Å; D367-H387 IonicContact OD1-CG 3.67Å; D367-H387 IonicContact OD1-ND1 3.98Å; D367-H387 PolarHBondContact OD1-ND1 2.97Å; D367-H387 IonicContact OD2-CE1 3.65Å; D367-H387 IonicContact OD2-ND1 3.93Å |
| 388 | I | 94.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.5 | 178.1 | -49 | 176.7 | 0 | 0 | 0 | 107.7 | A289 I291 F343 L352 K365 F366 L368 L386 I390 | A289-I388 HydrophobicContact CB-CG1 4.35Å; A289-I388 HydrophobicContact CB-CG2 4.32Å; A289-I388 CarbonylContact O-C 3.2Å; A289-I388 WeakPolarHBondContact O-CA 3.45Å; I291-I388 HydrophobicContact CD1-CG2 3.59Å; I291-I388 HydrophobicContact CG1-CG2 4.07Å; F343-I388 HydrophobicContact CD1-CD1 3.91Å; F343-I388 HydrophobicContact CD2-CD1 4.18Å; F343-I388 HydrophobicContact CE1-CD1 3.73Å; F343-I388 HydrophobicContact CE1-CG2 4.37Å; F343-I388 HydrophobicContact CE2-CD1 4.02Å; F343-I388 HydrophobicContact CG-CD1 4.13Å; F343-I388 HydrophobicContact CZ-CD1 3.79Å; F343-I388 HydrophobicContact CZ-CG2 4.1Å; L352-I388 HydrophobicContact CD2-CD1 3.79Å; K365-I388 CarbonylContact C-O 3.56Å; K365-I388 WeakPolarHBondContact CA-O 3.31Å; K365-I388 WeakPolarHBondContact CB-O 3.49Å; F366-I388 HydrophobicContact CB-CB 4.14Å; F366-I388 HydrophobicContact CB-CD1 4.38Å; F366-I388 PolarHBondContact N-O 2.88Å; F366-I388 PolarHBondContact O-N 3Å; L368-I388 HydrophobicContact CD1-CD1 3.72Å; L368-I388 HydrophobicContact CG-CD1 4.44Å; L386-I388 HydrophobicContact CD1-CG1 4.39Å; L386-I388 HydrophobicContact CD2-CD1 4.38Å; L386-I388 HydrophobicContact CG-CD1 4.49Å; L386-I388 HydrophobicContact CG-CG1 4.13Å; I388-I390 HydrophobicContact CG2-CD1 4.3Å |
| 389 | E | 91.8 | Very high | 86.9 | Confident | 108 Ų | 108 | 53.7 Ų | 53.7 | 51% | 0.505 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 133.8 | 175.1 | -172 | 171.6 | -163.1 | 0 | 0 | 109.7 | A289 A290 I291 | A289-E389 PolarHBondContact O-N 2.81Å; A290-E389 WeakPolarHBondContact CA-O 3.35Å; I291-E389 PolarHBondContact N-O 3.31Å |
| 390 | I | 91.5 | Very high | 87.5 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.3 | 175.2 | -52.5 | -56.6 | 0 | 0 | 0 | 108.1 | I291 E293 V358 R360 H363 Q364 F366 I388 | I291-I390 HydrophobicContact CB-CD1 4.14Å; I291-I390 CarbonylContact O-C 3.6Å; I291-I390 WeakPolarHBondContact O-CA 3.17Å; E293-I390 HydrophobicContact CB-CG2 3.77Å; V358-I390 HydrophobicContact CB-CD1 4.19Å; V358-I390 HydrophobicContact CG1-CD1 4.01Å; V358-I390 HydrophobicContact CG1-CG1 3.95Å; V358-I390 HydrophobicContact CG1-CG2 4.4Å; V358-I390 HydrophobicContact CG2-CD1 4.35Å; R360-I390 HydrophobicContact CB-CG2 3.86Å; R360-I390 HydrophobicContact CG-CB 4.44Å; R360-I390 HydrophobicContact CG-CG2 4.14Å; H363-I390 VanDerWaalsContact O-CG1 3.27Å; H363-I390 WeakPolarHBondContact O-CG1 3.4Å; Q364-I390 WeakPolarHBondContact O-CB 3.29Å; Q364-I390 PolarHBondContact O-N 2.88Å; F366-I390 HydrophobicContact CD2-CD1 4.34Å; F366-I390 HydrophobicContact CD2-CG1 4.44Å; F366-I390 HydrophobicContact CE2-CD1 4.27Å; F366-I390 HydrophobicContact CE2-CG1 4.28Å; I388-I390 HydrophobicContact CG2-CD1 4.3Å |
| 391 | L | 83.2 | Confident | 87.7 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 135.9 | -179.2 | -56.6 | 177 | 0 | 0 | 0 | 109.4 | A290 I291 E293 | A290-L391 HydrophobicContact CB-CD1 3.9Å; A290-L391 HydrophobicContact CB-CD2 4.16Å; A290-L391 HydrophobicContact CB-CG 4.02Å; I291-L391 PolarHBondContact O-N 2.81Å; E293-L391 PolarHBondContact N-O 2.86Å |
| 392 | D | 76.9 | Confident | 87.7 | Confident | 56 Ų | 56 | 50.9 Ų | 50.9 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | trans | -68.4 | 137 | 176.1 | -167 | 40 | 0 | 0 | 0 | 111.5 | R360 D437 | R360-D392 VanDerWaalsContact CZ-CB 3.43Å; R360-D392 IonicContact CZ-OD1 3.76Å; R360-D392 IonicContact NE-OD1 2.64Å; R360-D392 VanDerWaalsContact NH1-CB 3.33Å; R360-D392 IonicContact NH1-OD1 2.88Å; R360-D392 PolarHBondContact NH1-OD1 3.21Å; R360-D392 IonicContact NH1-OD2 3.85Å; R360-D392 PolarHBondContact NH1-OD2 2.87Å; D392-D437 VanDerWaalsContact OD2-C 3.31Å; D392-D437 WeakPolarHBondContact OD2-CB 3.4Å | ||
| 393 | E | 76.8 | Confident | 87.7 | Confident | 91 Ų | 91 | 55.5 Ų | 55.5 | 43% | 0.425 | 29% | 0.292 | S | S | . | . | trans | -121 | 123.4 | 170.6 | -74.9 | -78.4 | 170.6 | 0 | 0 | 107.6 | P292 E293 N395 | P292-E393 HydrophobicContact CB-CG 4.06Å; P292-E393 WeakPolarHBondContact CB-OE1 3.32Å; E293-E393 HydrophobicContact CG-CB 4.07Å; E293-E393 HydrophobicContact CG-CG 4.34Å; E293-E393 PolarHBondContact OE1-N 2.87Å; E393-N395 WeakPolarHBondContact O-CB 3.41Å; E393-N395 VanDerWaalsContact O-CG 3.26Å; E393-N395 PolarHBondContact O-N 2.86Å; E393-N395 PolarHBondContact O-ND2 3.47Å | ||
| 394 | N | 74.1 | Confident | 87.8 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 32% | 0.321 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -59.6 | 94.1 | -177.2 | 175.6 | -8.6 | 0 | 0 | 0 | 110.7 | D437 D490 V492 Q493 | N394-D437 WeakPolarHBondContact CA-OD2 3.33Å; N394-D437 PolarHBondContact OD1-OD2 3.05Å; N394-D490 PolarHBondContact ND2-OD1 3.25Å; N394-V492 WeakPolarHBondContact ND2-CG2 3.14Å; N394-Q493 PolarHBondContact OD1-NE2 2.85Å |
| 395 | N | 78.6 | Confident | 87.9 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 25% | 0.251 | 29% | 0.294 | S | S | . | . | trans | -137.3 | -1 | -170.3 | 76.5 | 50.4 | 0 | 0 | 0 | 113.2 | E393 D437 Q493 | E393-N395 WeakPolarHBondContact O-CB 3.41Å; E393-N395 VanDerWaalsContact O-CG 3.26Å; E393-N395 PolarHBondContact O-N 2.86Å; E393-N395 PolarHBondContact O-ND2 3.47Å; N395-D437 PolarHBondContact N-OD2 2.97Å; N395-Q493 PolarHBondContact O-NE2 2.89Å; N395-Q493 PolarHBondContact O-OE1 2.87Å | ||
| 396 | Q | 79.9 | Confident | 88 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 29% | 0.29 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -110.4 | 127 | 172.5 | -60.6 | -60.8 | -58.7 | 0 | 0 | 111 | K436 D437 Q493 | Q396-K436 HydrophobicContact CB-CB 4Å; Q396-K436 HydrophobicContact CG-CB 4.06Å; Q396-D437 VanDerWaalsContact CB-OD1 3.24Å; Q396-D437 WeakPolarHBondContact CB-OD1 3.38Å; Q396-D437 VanDerWaalsContact CG-OD1 3.22Å; Q396-D437 WeakPolarHBondContact CG-OD1 3.5Å; Q396-D437 PolarHBondContact N-OD1 3.14Å; Q396-D437 PolarHBondContact N-OD2 3.16Å; Q396-Q493 PolarHBondContact O-NE2 2.87Å |
| 397 | S | 85 | Confident | 88 | Confident | 59 Ų | 59 | 55 Ų | 55 | 41% | 0.413 | 29% | 0.291 | S | S | . | . | trans | -69.3 | 143.6 | 177.4 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 398 | P | 92 | Very high | 88.1 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | trans | -63.2 | 155.7 | 176.3 | 23.1 | -33.8 | 0 | 0 | 0 | 111.9 | L434 L446 A488 D490 S495 | P398-L434 CarbonylContact C-O 3.53Å; P398-L434 WeakPolarHBondContact CA-O 3.47Å; P398-L446 HydrophobicContact CB-CD1 3.81Å; P398-L446 HydrophobicContact CB-CD2 3.84Å; P398-L446 HydrophobicContact CB-CG 4.48Å; P398-L446 HydrophobicContact CG-CD2 4.14Å; P398-A488 HydrophobicContact CB-CB 4.32Å; P398-A488 HydrophobicContact CG-CB 4.39Å; P398-A488 WeakPolarHBondContact CG-O 3.46Å; P398-D490 WeakPolarHBondContact CD-OD2 3.24Å; P398-D490 HydrophobicContact CG-CB 4.38Å; P398-S495 VanDerWaalsContact O-CA 3.25Å; P398-S495 WeakPolarHBondContact O-CA 3.25Å; P398-S495 WeakPolarHBondContact O-CB 3.46Å | ||
| 399 | Y | 89.8 | Confident | 88.1 | Confident | 87 Ų | 87 | 54.9 Ų | 54.9 | 34% | 0.341 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 146.9 | -178.6 | 71 | -81.8 | 0 | 0 | 0 | 113 | A433 L434 K436 | Y399-A433 CarbonylContact O-C 3.55Å; Y399-A433 VanDerWaalsContact O-CA 3.27Å; Y399-A433 WeakPolarHBondContact O-CA 3.46Å; Y399-L434 WeakPolarHBondContact CD1-O 3.47Å; Y399-L434 HydrophobicContact CE1-CB 3.91Å; Y399-L434 PolarHBondContact N-O 3Å; Y399-L434 PolarHBondContact O-N 2.83Å; Y399-K436 HydrophobicContact CE1-CG 4.08Å |
| 400 | F | 93.4 | Very high | 88.1 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 141.2 | 173.6 | -69 | -80.4 | 0 | 0 | 0 | 111.5 | M402 Y405 I431 A433 L448 I486 A488 S495 V498 | F400-M402 VanDerWaalsContact C-N 3.27Å; F400-M402 PolarHBondContact O-N 2.72Å; F400-Y405 HydrophobicContact CD1-CE2 4.1Å; F400-I431 HydrophobicContact CD1-CG2 4.21Å; F400-I431 HydrophobicContact CE1-CG2 3.92Å; F400-A433 HydrophobicContact CD1-CB 3.84Å; F400-A433 HydrophobicContact CE1-CB 3.81Å; F400-A433 HydrophobicContact CG-CB 4.49Å; F400-A433 HydrophobicContact CZ-CB 4.44Å; F400-L448 HydrophobicContact CE1-CD2 3.95Å; F400-L448 HydrophobicContact CZ-CD2 4.31Å; F400-I486 HydrophobicContact CE1-CG2 4.29Å; F400-I486 WeakPolarHBondContact CE2-O 3.42Å; F400-I486 HydrophobicContact CZ-CB 4.32Å; F400-I486 HydrophobicContact CZ-CG2 3.82Å; F400-A488 HydrophobicContact CE2-CB 4.24Å; F400-A488 HydrophobicContact CZ-CB 3.89Å; F400-S495 VanDerWaalsContact CE2-OG 3.24Å; F400-S495 WeakPolarHBondContact CE2-OG 3.16Å; F400-V498 HydrophobicContact CD1-CG1 4.03Å; F400-V498 HydrophobicContact CD2-CB 3.81Å; F400-V498 HydrophobicContact CD2-CG1 3.67Å; F400-V498 HydrophobicContact CE1-CG1 4.13Å; F400-V498 HydrophobicContact CE2-CB 4.23Å; F400-V498 HydrophobicContact CE2-CG1 3.75Å; F400-V498 HydrophobicContact CG-CB 4.16Å; F400-V498 HydrophobicContact CG-CG1 3.82Å; F400-V498 HydrophobicContact CZ-CG1 4.01Å |
| 401 | T | 90.3 | Very high | 88.1 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -72.1 | -18.6 | 177.5 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | V432 L434 | T401-V432 HydrophobicContact CG2-CB 4.12Å; T401-V432 HydrophobicContact CG2-CG1 3.83Å; T401-V432 PolarHBondContact N-O 3.43Å; T401-V432 PolarHBondContact OG1-O 3.23Å; T401-L434 HydrophobicContact CG2-CD1 3.95Å; T401-L434 HydrophobicContact CG2-CG 4.22Å |
| 402 | M | 90.7 | Very high | 88.4 | Confident | 93 Ų | 93 | 52.3 Ų | 52.3 | 46% | 0.458 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -124.8 | 146.8 | 178.6 | -65.3 | -68.4 | -170.6 | 0 | 0 | 110.5 | F400 S404 Y405 V498 | F400-M402 VanDerWaalsContact C-N 3.27Å; F400-M402 PolarHBondContact O-N 2.72Å; M402-S404 VanDerWaalsContact C-N 3.33Å; M402-Y405 HydrophobicContact CB-CD1 4.36Å; M402-Y405 HydrophobicContact CB-CE1 3.76Å; M402-Y405 HydrophobicContact CB-CE2 4.32Å; M402-Y405 HydrophobicContact CG-CE1 3.88Å; M402-V498 WeakPolarHBondContact O-CG2 3.32Å |
| 403 | P | 90.8 | Very high | 89.1 | Confident | 115 Ų | 115 | 50.3 Ų | 50.3 | 75% | 0.747 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -78.6 | -15.2 | 179.1 | 32.2 | -36.5 | 0 | 0 | 0 | 114 | V498 | P403-V498 WeakPolarHBondContact O-CG2 3.12Š|
| 404 | S | 92.9 | Very high | 89.8 | Confident | 69 Ų | 69 | 50.7 Ų | 50.7 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 149.7 | 176.7 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | M402 V499 | M402-S404 VanDerWaalsContact C-N 3.33Å; S404-V499 CarbonylContact C-O 3.55Å; S404-V499 VanDerWaalsContact CA-O 3.32Å; S404-V499 WeakPolarHBondContact CA-O 3.25Å |
| 405 | Y | 94.2 | Very high | 90.5 | Very high | 10 Ų | 10 | 52 Ų | 52 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139.3 | 176.9 | -63.3 | -83.2 | 0 | 0 | 0 | 111.6 | F400 M402 L429 R430 I431 V432 V498 V499 V500 N501 | F400-Y405 HydrophobicContact CD1-CE2 4.1Å; M402-Y405 HydrophobicContact CB-CD1 4.36Å; M402-Y405 HydrophobicContact CB-CE1 3.76Å; M402-Y405 HydrophobicContact CB-CE2 4.32Å; M402-Y405 HydrophobicContact CG-CE1 3.88Å; Y405-L429 HydrophobicContact CD1-CD1 4.21Å; Y405-R430 WeakPolarHBondContact CE1-O 3.41Å; Y405-I431 HydrophobicContact CD1-CG1 4.41Å; Y405-I431 HydrophobicContact CE1-CG1 4.46Å; Y405-I431 HydrophobicContact CE2-CG2 4.2Å; Y405-I431 HydrophobicContact CG-CG1 4.49Å; Y405-V432 PolarHBondContact OH-O 3.14Å; Y405-V498 HydrophobicContact CD2-CG1 4.1Å; Y405-V498 HydrophobicContact CD2-CG2 4.33Å; Y405-V498 HydrophobicContact CE2-CG1 3.97Å; Y405-V498 HydrophobicContact CE2-CG2 4.27Å; Y405-V499 PolarHBondContact N-O 2.94Å; Y405-V500 HydrophobicContact CD2-CG2 4.26Å; Y405-V500 WeakPolarHBondContact O-CA 3.48Å; Y405-N501 PolarHBondContact O-N 2.94Å |
| 406 | Q | 93.7 | Very high | 91.1 | Very high | 80 Ų | 80 | 52.1 Ų | 52.1 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.9 | 176.8 | -175.5 | 70.1 | 41.1 | 0 | 0 | 109.7 | Y408 L429 N501 | Q406-Y408 HydrophobicContact CG-CE2 4.13Å; Q406-L429 WeakPolarHBondContact O-CD1 3.32Å; Q406-N501 CarbonylContact C-O 3.57Å; Q406-N501 WeakPolarHBondContact CA-O 3.42Å; Q406-N501 PolarHBondContact NE2-O 3.26Å |
| 407 | G | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 158.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S420 N501 I502 R503 | G407-S420 CarbonylContact C-O 3.55Å; G407-S420 VanDerWaalsContact CA-O 3.24Å; G407-S420 WeakPolarHBondContact CA-O 3.28Å; G407-N501 PolarHBondContact N-O 2.73Å; G407-I502 WeakPolarHBondContact O-CA 3.32Å; G407-R503 PolarHBondContact O-N 3.32Å |
| 408 | Y | 94.7 | Very high | 92 | Very high | 37 Ų | 37 | 50.8 Ų | 50.8 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.7 | 176.6 | -55.3 | -86.2 | 0 | 0 | 0 | 110 | Q406 S420 L423 R503 | Q406-Y408 HydrophobicContact CG-CE2 4.13Å; Y408-S420 PolarHBondContact N-O 2.92Å; Y408-S420 PolarHBondContact O-N 2.63Å; Y408-L423 HydrophobicContact CD1-CG 4.01Å; Y408-L423 HydrophobicContact CD2-CG 4.5Å; Y408-L423 HydrophobicContact CE1-CD1 3.98Å; Y408-L423 HydrophobicContact CE1-CD2 4.24Å; Y408-L423 HydrophobicContact CE1-CG 3.72Å; Y408-L423 HydrophobicContact CE2-CD1 4.21Å; Y408-L423 HydrophobicContact CE2-CG 4.24Å; Y408-L423 HydrophobicContact CG-CG 4.4Å; Y408-R503 WeakPolarHBondContact CA-O 3.35Å; Y408-R503 HydrophobicContact CD1-CB 4Å; Y408-R503 HydrophobicContact CE1-CB 4.22Å |
| 409 | I | 94.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 144.1 | 176.9 | -169.1 | 60.2 | 0 | 0 | 0 | 109.6 | A413 A417 I419 V474 I502 R503 V504 M505 | I409-A413 HydrophobicContact CD1-CB 3.6Å; I409-A413 HydrophobicContact CG1-CB 3.88Å; I409-A417 HydrophobicContact CD1-CB 4.17Å; I409-I419 HydrophobicContact CB-CD1 3.76Å; I409-I419 HydrophobicContact CD1-CD1 4.14Å; I409-I419 HydrophobicContact CG1-CD1 3.9Å; I409-I419 HydrophobicContact CG2-CD1 4.18Å; I409-V474 HydrophobicContact CG2-CG2 4.16Å; I409-I502 HydrophobicContact CG2-CG2 3.91Å; I409-R503 PolarHBondContact N-O 2.94Å; I409-R503 VanDerWaalsContact N-O 3.14Å; I409-V504 HydrophobicContact CG2-CG2 4.26Å; I409-V504 CarbonylContact O-C 3.59Å; I409-V504 WeakPolarHBondContact O-CA 3.34Å; I409-M505 PolarHBondContact O-N 3.17Å |
| 410 | L | 91.8 | Very high | 92.3 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 140.7 | 174.2 | -159.5 | 73.1 | 0 | 0 | 0 | 109.3 | S412 A413 L425 M505 A507 | L410-S412 VanDerWaalsContact C-N 3.26Å; L410-S412 WeakPolarHBondContact CD2-OG 3.43Å; L410-S412 PolarHBondContact O-N 3.22Å; L410-A413 HydrophobicContact CB-CB 4.45Å; L410-A413 WeakPolarHBondContact O-CB 3.3Å; L410-A413 PolarHBondContact O-N 3.39Å; L410-L425 HydrophobicContact CB-CD1 3.98Å; L410-L425 HydrophobicContact CD1-CD1 4.25Å; L410-M505 HydrophobicContact CD1-CB 3.96Å; L410-A507 HydrophobicContact CD1-CB 4.41Å; L410-A507 HydrophobicContact CD2-CB 4.49Å; L410-A507 HydrophobicContact CG-CB 4.21Å |
| 411 | E | 92.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -31.5 | 178.6 | 71.5 | -166.3 | 124.9 | 0 | 0 | 113.5 | A413 V474 R476 V504 M505 D506 A507 | E411-A413 PolarHBondContact O-N 3.35Å; E411-A413 VanDerWaalsContact O-N 3.14Å; E411-V474 WeakPolarHBondContact CB-O 3.47Å; E411-R476 HydrophobicContact CB-CB 4.28Å; E411-R476 IonicContact OE1-NE 3.19Å; E411-R476 WeakPolarHBondContact OE2-CB 3.1Å; E411-R476 PolarHBondContact OE2-N 3.05Å; E411-V504 HydrophobicContact CB-CG1 3.71Å; E411-M505 PolarHBondContact N-O 3.48Å; E411-D506 VanDerWaalsContact OE1-CA 3.23Å; E411-D506 WeakPolarHBondContact OE1-CA 3.44Å; E411-A507 HydrophobicContact CG-CB 3.88Å; E411-A507 PolarHBondContact OE1-N 3.47Å |
| 412 | S | 89.2 | Confident | 92.1 | Very high | 69 Ų | 69 | 48 Ų | 48 | 48% | 0.483 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 7.3 | 171.7 | 59.7 | 0 | 0 | 0 | 0 | 114 | L410 A507 | L410-S412 VanDerWaalsContact C-N 3.26Å; L410-S412 WeakPolarHBondContact CD2-OG 3.43Å; L410-S412 PolarHBondContact O-N 3.22Å; S412-A507 WeakPolarHBondContact OG-CB 3.39Å |
| 413 | A | 90.7 | Very high | 91.8 | Very high | 14 Ų | 14 | 48 Ų | 48 | 12% | 0.116 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 131.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | I409 L410 E411 A417 L470 | I409-A413 HydrophobicContact CD1-CB 3.6Å; I409-A413 HydrophobicContact CG1-CB 3.88Å; L410-A413 HydrophobicContact CB-CB 4.45Å; L410-A413 WeakPolarHBondContact O-CB 3.3Å; L410-A413 PolarHBondContact O-N 3.39Å; E411-A413 PolarHBondContact O-N 3.35Å; E411-A413 VanDerWaalsContact O-N 3.14Å; A413-A417 HydrophobicContact CB-CB 3.91Å; A413-L470 HydrophobicContact CB-CD2 4.44Å |
| 414 | P | 92 | Very high | 91.5 | Very high | 99 Ų | 99 | 48.9 Ų | 48.9 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 153.9 | 177.9 | 29.7 | -35 | 0 | 0 | 0 | 111.5 | G416 A417 | P414-G416 PolarHBondContact O-N 3.26Å; P414-A417 WeakPolarHBondContact O-CB 3.41Å; P414-A417 PolarHBondContact O-N 3.48Å |
| 415 | V | 90 | Very high | 91.1 | Very high | 87 Ų | 87 | 48.8 Ų | 48.8 | 53% | 0.527 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 130.7 | 169.3 | 174.4 | 0 | 0 | 0 | 0 | 109.8 | L471 | V415-L471 WeakPolarHBondContact CG1-O 3.38Š|
| 416 | G | 90 | Very high | 90.7 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 52% | 0.515 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -7.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P414 L470 | P414-G416 PolarHBondContact O-N 3.26Å; G416-L470 WeakPolarHBondContact CA-O 3.1Å; G416-L470 PolarHBondContact N-O 2.8Å |
| 417 | A | 91.4 | Very high | 90.5 | Very high | 24 Ų | 24 | 52.4 Ų | 52.4 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 141.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I409 A413 P414 T469 L470 | I409-A417 HydrophobicContact CD1-CB 4.17Å; A413-A417 HydrophobicContact CB-CB 3.91Å; P414-A417 WeakPolarHBondContact O-CB 3.41Å; P414-A417 PolarHBondContact O-N 3.48Å; A417-T469 VanDerWaalsContact O-CA 3.32Å; A417-T469 WeakPolarHBondContact O-CA 3.42Å; A417-L470 PolarHBondContact O-N 3.09Å |
| 418 | T | 93.5 | Very high | 90.4 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 43% | 0.429 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -83.5 | 134.4 | 175.9 | 48.2 | 0 | 0 | 0 | 0 | 110.9 | L468 T469 | T418-L468 WeakPolarHBondContact CA-O 3.47Å; T418-T469 HydrophobicContact CG2-CG2 3.77Å |
| 419 | I | 94.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 136.5 | 174 | -53.1 | -57.6 | 0 | 0 | 0 | 109.2 | I409 P428 L429 F457 L468 I502 | I409-I419 HydrophobicContact CB-CD1 3.76Å; I409-I419 HydrophobicContact CD1-CD1 4.14Å; I409-I419 HydrophobicContact CG1-CD1 3.9Å; I409-I419 HydrophobicContact CG2-CD1 4.18Å; I419-P428 CarbonylContact O-C 3.59Å; I419-P428 WeakPolarHBondContact O-CA 3.22Å; I419-L429 HydrophobicContact CG2-CB 4.49Å; I419-L429 HydrophobicContact CG2-CD2 4.27Å; I419-L429 WeakPolarHBondContact O-CB 3.36Å; I419-L429 PolarHBondContact O-N 3.26Å; I419-F457 HydrophobicContact CD1-CD1 4.06Å; I419-F457 HydrophobicContact CD1-CE1 3.78Å; I419-F457 HydrophobicContact CG1-CD1 4.43Å; I419-L468 HydrophobicContact CB-CB 4.15Å; I419-L468 HydrophobicContact CG1-CB 3.71Å; I419-L468 PolarHBondContact N-O 2.81Å; I419-I502 HydrophobicContact CD1-CD1 4.39Å; I419-I502 HydrophobicContact CD1-CG2 4.41Å; I419-I502 HydrophobicContact CG1-CD1 4.2Å; I419-I502 HydrophobicContact CG2-CD1 4.42Å; I419-I502 HydrophobicContact CG2-CG1 4.38Å; I419-I502 HydrophobicContact CG2-CG2 4.26Å |
| 420 | S | 93.6 | Very high | 90.3 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -94.5 | 144.3 | -178.7 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | G407 Y408 S422 L425 T427 | G407-S420 CarbonylContact C-O 3.55Å; G407-S420 VanDerWaalsContact CA-O 3.24Å; G407-S420 WeakPolarHBondContact CA-O 3.28Å; Y408-S420 PolarHBondContact N-O 2.92Å; Y408-S420 PolarHBondContact O-N 2.63Å; S420-S422 VanDerWaalsContact C-N 3.3Å; S420-S422 PolarHBondContact OG-N 2.78Å; S420-S422 PolarHBondContact OG-O 2.79Å; S420-L425 WeakPolarHBondContact OG-CA 3.25Å; S420-T427 CarbonylContact C-O 3.59Å; S420-T427 WeakPolarHBondContact CA-O 3.46Å; S420-T427 WeakPolarHBondContact CB-O 3.24Å; S420-T427 PolarHBondContact OG-O 3.19Å |
| 421 | E | 91.1 | Very high | 90.4 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 38% | 0.383 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -74.6 | -21.6 | 170.4 | -169.4 | 174.2 | -163.4 | 0 | 0 | 112.3 | T427 L429 R430 | E421-T427 PolarHBondContact N-O 2.87Å; E421-L429 HydrophobicContact CB-CB 4.49Å; E421-L429 HydrophobicContact CB-CD1 4.2Å; E421-L429 HydrophobicContact CG-CD1 4.16Å; E421-R430 IonicContact OE2-NH1 3.98Å; E421-R430 PolarHBondContact OE2-NH1 2.92Å |
| 422 | S | 87.3 | Confident | 90.4 | Very high | 36 Ų | 36 | 56.5 Ų | 56.5 | 25% | 0.252 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -115.6 | 142.4 | -170.4 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | S420 N424 L425 | S420-S422 VanDerWaalsContact C-N 3.3Å; S420-S422 PolarHBondContact OG-N 2.78Å; S420-S422 PolarHBondContact OG-O 2.79Å; S422-N424 PolarHBondContact O-N 3.44Å; S422-N424 VanDerWaalsContact O-N 3.14Å; S422-N424 PolarHBondContact OG-N 2.71Å; S422-L425 PolarHBondContact O-N 2.86Å |
| 423 | L | 84.4 | Confident | 90.5 | Very high | 93 Ų | 93 | 53.6 Ų | 53.6 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.9 | 172.8 | -89.5 | 120.1 | 0 | 0 | 0 | 113.6 | Y408 L425 M505 | Y408-L423 HydrophobicContact CD1-CG 4.01Å; Y408-L423 HydrophobicContact CD2-CG 4.5Å; Y408-L423 HydrophobicContact CE1-CD1 3.98Å; Y408-L423 HydrophobicContact CE1-CD2 4.24Å; Y408-L423 HydrophobicContact CE1-CG 3.72Å; Y408-L423 HydrophobicContact CE2-CD1 4.21Å; Y408-L423 HydrophobicContact CE2-CG 4.24Å; Y408-L423 HydrophobicContact CG-CG 4.4Å; L423-L425 PolarHBondContact O-N 3.01Å; L423-M505 WeakPolarHBondContact O-CE 3.27Å |
| 424 | N | 84.4 | Confident | 90.4 | Very high | 132 Ų | 132 | 53.9 Ų | 53.9 | 71% | 0.706 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 3.8 | 177.6 | -63.9 | -13.9 | 0 | 0 | 0 | 112.8 | S422 T426 | S422-N424 PolarHBondContact O-N 3.44Å; S422-N424 VanDerWaalsContact O-N 3.14Å; S422-N424 PolarHBondContact OG-N 2.71Å; N424-T426 HydrophobicContact CB-CG2 4Å; N424-T426 WeakPolarHBondContact O-CG2 3.21Å; N424-T426 PolarHBondContact O-N 2.89Å |
| 425 | L | 85.3 | Confident | 90.2 | Very high | 68 Ų | 68 | 49.6 Ų | 49.6 | 36% | 0.356 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 56.8 | 29.4 | 178.6 | -54.4 | 177.4 | 0 | 0 | 0 | 114.4 | L410 S420 S422 L423 M505 | L410-L425 HydrophobicContact CB-CD1 3.98Å; L410-L425 HydrophobicContact CD1-CD1 4.25Å; S420-L425 WeakPolarHBondContact OG-CA 3.25Å; S422-L425 PolarHBondContact O-N 2.86Å; L423-L425 PolarHBondContact O-N 3.01Å; L425-M505 HydrophobicContact CD1-SD 4.18Å; L425-M505 HydrophobicContact CD2-SD 3.8Å; L425-M505 HydrophobicContact CG-SD 4.01Å |
| 426 | T | 85.4 | Confident | 89.8 | Confident | 103 Ų | 103 | 51.3 Ų | 51.3 | 63% | 0.632 | 29% | 0.288 | S | S | * | . | trans | -92.4 | -25.1 | -172.8 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | N424 | N424-T426 HydrophobicContact CB-CG2 4Å; N424-T426 WeakPolarHBondContact O-CG2 3.21Å; N424-T426 PolarHBondContact O-N 2.89Å | ||
| 427 | T | 89.6 | Confident | 89.4 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 39% | 0.387 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -134.8 | 132.2 | -170.7 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | S420 E421 | S420-T427 CarbonylContact C-O 3.59Å; S420-T427 WeakPolarHBondContact CA-O 3.46Å; S420-T427 WeakPolarHBondContact CB-O 3.24Å; S420-T427 PolarHBondContact OG-O 3.19Å; E421-T427 PolarHBondContact N-O 2.87Å |
| 428 | P | 92.8 | Very high | 88.8 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -70.6 | 147.2 | -179.8 | 31.1 | -35.9 | 0 | 0 | 0 | 111.2 | I419 R430 Y467 | I419-P428 CarbonylContact O-C 3.59Å; I419-P428 WeakPolarHBondContact O-CA 3.22Å; P428-R430 PolarHBondContact O-N 3.42Å; P428-Y467 HydrophobicContact CB-CD1 3.79Å; P428-Y467 HydrophobicContact CB-CE1 3.97Å; P428-Y467 HydrophobicContact CG-CD1 4.11Å; P428-Y467 HydrophobicContact CG-CE1 3.75Å |
| 429 | L | 93.7 | Very high | 87.9 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 117.5 | 174.5 | 179 | 62.1 | 0 | 0 | 0 | 109.9 | Y405 Q406 I419 E421 Y467 L468 | Y405-L429 HydrophobicContact CD1-CD1 4.21Å; Q406-L429 WeakPolarHBondContact O-CD1 3.32Å; I419-L429 HydrophobicContact CG2-CB 4.49Å; I419-L429 HydrophobicContact CG2-CD2 4.27Å; I419-L429 WeakPolarHBondContact O-CB 3.36Å; I419-L429 PolarHBondContact O-N 3.26Å; E421-L429 HydrophobicContact CB-CB 4.49Å; E421-L429 HydrophobicContact CB-CD1 4.2Å; E421-L429 HydrophobicContact CG-CD1 4.16Å; L429-Y467 WeakPolarHBondContact O-CD1 3.1Å; L429-L468 HydrophobicContact CD2-CD1 4.32Å |
| 430 | R | 92.9 | Very high | 87.1 | Confident | 115 Ų | 115 | 57.4 Ų | 57.4 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 117.7 | -178.1 | -59.9 | -169.5 | -36.6 | -68.5 | -7.7 | 110.3 | Y405 E421 P428 T465 Y467 | Y405-R430 WeakPolarHBondContact CE1-O 3.41Å; E421-R430 IonicContact OE2-NH1 3.98Å; E421-R430 PolarHBondContact OE2-NH1 2.92Å; P428-R430 PolarHBondContact O-N 3.42Å; R430-T465 HydrophobicContact CB-CG2 3.6Å; R430-T465 HydrophobicContact CG-CG2 3.8Å; R430-Y467 HydrophobicContact CG-CE1 4Å |
| 431 | I | 93.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.9 | 172 | -58.3 | 179.9 | 0 | 0 | 0 | 107.7 | F400 Y405 L448 R466 L468 I486 | F400-I431 HydrophobicContact CD1-CG2 4.21Å; F400-I431 HydrophobicContact CE1-CG2 3.92Å; Y405-I431 HydrophobicContact CD1-CG1 4.41Å; Y405-I431 HydrophobicContact CE1-CG1 4.46Å; Y405-I431 HydrophobicContact CE2-CG2 4.2Å; Y405-I431 HydrophobicContact CG-CG1 4.49Å; I431-L448 HydrophobicContact CG2-CD2 3.97Å; I431-R466 HydrophobicContact CB-CB 4.45Å; I431-R466 PolarHBondContact N-O 3.48Å; I431-R466 PolarHBondContact O-N 2.79Å; I431-L468 HydrophobicContact CD1-CD1 3.71Å; I431-L468 HydrophobicContact CD1-CD2 4.34Å; I431-L468 HydrophobicContact CD1-CG 3.63Å; I431-I486 HydrophobicContact CD1-CD1 3.77Å |
| 432 | V | 92.6 | Very high | 85.7 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 13% | 0.133 | 34% | 0.336 | C | S | . | . | trans | -129.2 | 113.5 | -178.1 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | T401 Y405 L434 I464 T465 | T401-V432 HydrophobicContact CG2-CB 4.12Å; T401-V432 HydrophobicContact CG2-CG1 3.83Å; T401-V432 PolarHBondContact N-O 3.43Å; T401-V432 PolarHBondContact OG1-O 3.23Å; Y405-V432 PolarHBondContact OH-O 3.14Å; V432-L434 HydrophobicContact CG1-CD2 4.03Å; V432-L434 HydrophobicContact CG1-CG 4.12Å; V432-I464 HydrophobicContact CG1-CG2 4.22Å; V432-T465 HydrophobicContact CG2-CG2 4.15Å | ||
| 433 | A | 91.1 | Very high | 85.5 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y399 F400 L446 A488 | Y399-A433 CarbonylContact O-C 3.55Å; Y399-A433 VanDerWaalsContact O-CA 3.27Å; Y399-A433 WeakPolarHBondContact O-CA 3.46Å; F400-A433 HydrophobicContact CD1-CB 3.84Å; F400-A433 HydrophobicContact CE1-CB 3.81Å; F400-A433 HydrophobicContact CG-CB 4.49Å; F400-A433 HydrophobicContact CZ-CB 4.44Å; A433-L446 HydrophobicContact CB-CD1 3.74Å; A433-A488 HydrophobicContact CB-CB 3.99Å |
| 434 | L | 89.9 | Confident | 85.5 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 161.8 | -178.4 | -61.2 | 176.3 | 0 | 0 | 0 | 109.3 | P398 Y399 T401 V432 I464 | P398-L434 CarbonylContact C-O 3.53Å; P398-L434 WeakPolarHBondContact CA-O 3.47Å; Y399-L434 WeakPolarHBondContact CD1-O 3.47Å; Y399-L434 HydrophobicContact CE1-CB 3.91Å; Y399-L434 PolarHBondContact N-O 3Å; Y399-L434 PolarHBondContact O-N 2.83Å; T401-L434 HydrophobicContact CG2-CD1 3.95Å; T401-L434 HydrophobicContact CG2-CG 4.22Å; V432-L434 HydrophobicContact CG1-CD2 4.03Å; V432-L434 HydrophobicContact CG1-CG 4.12Å; L434-I464 HydrophobicContact CD2-CG2 4.03Å |
| 435 | D | 87.5 | Confident | 85.6 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | trans | -130.5 | 140.5 | 175.7 | -165.7 | -27.2 | 0 | 0 | 0 | 107.4 | D437 P444 | D435-D437 PolarHBondContact OD1-N 3.05Å; D435-D437 VanDerWaalsContact OD1-N 3.09Å; D435-P444 HydrophobicContact CB-CB 3.81Å | ||
| 436 | K | 81 | Confident | 85.8 | Confident | 124 Ų | 124 | 59.1 Ų | 59.1 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -81.8 | -18.4 | -178.6 | -71.8 | -177.1 | -179 | 173 | 0 | 113 | Q396 Y399 I438 | Q396-K436 HydrophobicContact CB-CB 4Å; Q396-K436 HydrophobicContact CG-CB 4.06Å; Y399-K436 HydrophobicContact CE1-CG 4.08Å; K436-I438 PolarHBondContact O-N 2.95Å |
| 437 | D | 81.8 | Confident | 86 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -66.3 | -34 | 177.3 | -64 | -20.6 | 0 | 0 | 0 | 109.7 | R360 D392 N394 N395 Q396 D435 | R360-D437 PolarHBondContact NH1-O 2.95Å; D392-D437 VanDerWaalsContact OD2-C 3.31Å; D392-D437 WeakPolarHBondContact OD2-CB 3.4Å; N394-D437 WeakPolarHBondContact CA-OD2 3.33Å; N394-D437 PolarHBondContact OD1-OD2 3.05Å; N395-D437 PolarHBondContact N-OD2 2.97Å; Q396-D437 VanDerWaalsContact CB-OD1 3.24Å; Q396-D437 WeakPolarHBondContact CB-OD1 3.38Å; Q396-D437 VanDerWaalsContact CG-OD1 3.22Å; Q396-D437 WeakPolarHBondContact CG-OD1 3.5Å; Q396-D437 PolarHBondContact N-OD1 3.14Å; Q396-D437 PolarHBondContact N-OD2 3.16Å; D435-D437 PolarHBondContact OD1-N 3.05Å; D435-D437 VanDerWaalsContact OD1-N 3.09Å |
| 438 | I | 79 | Confident | 86.1 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 33% | 0.333 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -101.8 | 145.5 | 175.5 | -81.9 | 170.5 | 0 | 0 | 0 | 112.2 | K436 D440 K442 P444 | K436-I438 PolarHBondContact O-N 2.95Å; I438-D440 PolarHBondContact O-N 3.34Å; I438-K442 HydrophobicContact CG2-CB 3.81Å; I438-P444 HydrophobicContact CD1-CB 4.5Å; I438-P444 HydrophobicContact CG2-CB 4.47Å |
| 439 | E | 74.7 | Confident | 86 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | trans | -60.7 | 133.8 | 172.8 | -65.9 | 173.1 | 153.1 | 0 | 0 | 111.5 | T441 K442 | E439-T441 PolarHBondContact O-N 2.91Å; E439-K442 PolarHBondContact O-N 2.9Å; E439-K442 WeakPolarHBondContact OE2-CE 3.45Å; E439-K442 IonicContact OE2-NZ 3.21Å; E439-K442 PolarHBondContact OE2-NZ 2.83Å | ||
| 440 | D | 77.5 | Confident | 85.9 | Confident | 98 Ų | 98 | 61.3 Ų | 61.3 | 52% | 0.524 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -15.9 | -179.9 | -69 | -23.3 | 0 | 0 | 0 | 116.1 | I438 | I438-D440 PolarHBondContact O-N 3.34Š|
| 441 | T | 76.8 | Confident | 85.7 | Confident | 112 Ų | 112 | 60.7 Ų | 60.7 | 69% | 0.687 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -8.8 | 179.8 | 64.1 | 0 | 0 | 0 | 0 | 114.2 | E439 I464 | E439-T441 PolarHBondContact O-N 2.91Å; T441-I464 WeakPolarHBondContact O-CD1 3.24Å |
| 442 | K | 78.5 | Confident | 85.5 | Confident | 120 Ų | 120 | 64.9 Ų | 64.9 | 52% | 0.522 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -107.2 | 150.9 | 178.2 | -69.1 | 174.9 | 179.6 | 144.9 | 0 | 109.2 | I438 E439 P444 | I438-K442 HydrophobicContact CG2-CB 3.81Å; E439-K442 PolarHBondContact O-N 2.9Å; E439-K442 WeakPolarHBondContact OE2-CE 3.45Å; E439-K442 IonicContact OE2-NZ 3.21Å; E439-K442 PolarHBondContact OE2-NZ 2.83Å; K442-P444 VanDerWaalsContact O-CD 3.25Å; K442-P444 WeakPolarHBondContact O-CD 3.37Å |
| 443 | D | 82.7 | Confident | 85.4 | Confident | 49 Ų | 49 | 66.6 Ų | 66.6 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | trans | -72.1 | 119.4 | 175.4 | -172.6 | -1.1 | 0 | 0 | 0 | 108.4 | E445 G463 I464 R466 | D443-E445 PolarHBondContact O-N 3.24Å; D443-E445 VanDerWaalsContact O-N 3.15Å; D443-E445 PolarHBondContact OD1-N 2.98Å; D443-G463 WeakPolarHBondContact OD2-CA 2.95Å; D443-G463 PolarHBondContact OD2-N 3.04Å; D443-I464 HydrophobicContact CB-CG1 4.25Å; D443-R466 IonicContact OD1-NH2 2.88Å; D443-R466 IonicContact OD2-NH2 2.95Å | ||
| 444 | P | 84.4 | Confident | 85.2 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | trans | -71.4 | 3.1 | 175 | 27 | -31 | 0 | 0 | 0 | 113.2 | D435 I438 K442 L446 | D435-P444 HydrophobicContact CB-CB 3.81Å; I438-P444 HydrophobicContact CD1-CB 4.5Å; I438-P444 HydrophobicContact CG2-CB 4.47Å; K442-P444 VanDerWaalsContact O-CD 3.25Å; K442-P444 WeakPolarHBondContact O-CD 3.37Å; P444-L446 HydrophobicContact CB-CD1 4.2Å; P444-L446 HydrophobicContact CB-CD2 4.14Å; P444-L446 HydrophobicContact CB-CG 3.84Å; P444-L446 HydrophobicContact CG-CD1 3.7Å; P444-L446 HydrophobicContact CG-CG 3.72Å; P444-L446 PolarHBondContact O-N 2.91Å; P444-L446 VanDerWaalsContact O-N 3.11Å | ||
| 445 | E | 86.1 | Confident | 85.1 | Confident | 154 Ų | 154 | 72.7 Ų | 72.7 | 72% | 0.72 | 37% | 0.369 | S | S | * | . | trans | 56.6 | 28.7 | 176.9 | -60.9 | -166.7 | 162.6 | 0 | 0 | 113.9 | D443 | D443-E445 PolarHBondContact O-N 3.24Å; D443-E445 VanDerWaalsContact O-N 3.15Å; D443-E445 PolarHBondContact OD1-N 2.98Å | ||
| 446 | L | 89.2 | Confident | 85.3 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 142.7 | -176.7 | -56.8 | 171.6 | 0 | 0 | 0 | 112.4 | P398 A433 P444 L448 R466 A488 F489 D490 | P398-L446 HydrophobicContact CB-CD1 3.81Å; P398-L446 HydrophobicContact CB-CD2 3.84Å; P398-L446 HydrophobicContact CB-CG 4.48Å; P398-L446 HydrophobicContact CG-CD2 4.14Å; A433-L446 HydrophobicContact CB-CD1 3.74Å; P444-L446 HydrophobicContact CB-CD1 4.2Å; P444-L446 HydrophobicContact CB-CD2 4.14Å; P444-L446 HydrophobicContact CB-CG 3.84Å; P444-L446 HydrophobicContact CG-CD1 3.7Å; P444-L446 HydrophobicContact CG-CG 3.72Å; P444-L446 PolarHBondContact O-N 2.91Å; P444-L446 VanDerWaalsContact O-N 3.11Å; L446-L448 HydrophobicContact CB-CD1 4.45Å; L446-R466 PolarHBondContact O-NH1 3.37Å; L446-R466 PolarHBondContact O-NH2 2.73Å; L446-A488 HydrophobicContact CD1-CB 4.22Å; L446-F489 WeakPolarHBondContact CA-O 3.4Å; L446-D490 HydrophobicContact CD2-CB 3.59Å |
| 447 | H | 89.6 | Confident | 85.9 | Confident | 116 Ų | 116 | 67.1 Ų | 67.1 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.7 | 168.1 | -70.6 | -69.3 | 0 | 0 | 0 | 109.8 | F449 F489 | H447-F449 HydrophobicContact CB-CE2 4.06Å; H447-F449 HydrophobicContact CB-CZ 4.18Å; H447-F489 PolarHBondContact N-O 3.22Å; H447-F489 PolarHBondContact O-N 3.26Å |
| 448 | L | 91.7 | Very high | 86.5 | Confident | 22 Ų | 22 | 69.2 Ų | 69.2 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 128.1 | 178.2 | -68.8 | 88.1 | 0 | 0 | 0 | 110.4 | F400 I431 L446 V459 R466 I486 T487 A488 | F400-L448 HydrophobicContact CE1-CD2 3.95Å; F400-L448 HydrophobicContact CZ-CD2 4.31Å; I431-L448 HydrophobicContact CG2-CD2 3.97Å; L446-L448 HydrophobicContact CB-CD1 4.45Å; L448-V459 HydrophobicContact CB-CG1 3.83Å; L448-V459 HydrophobicContact CD2-CG2 4.32Å; L448-R466 HydrophobicContact CD1-CG 3.98Å; L448-I486 HydrophobicContact CB-CG2 4.12Å; L448-I486 HydrophobicContact CD2-CG2 3.95Å; L448-I486 HydrophobicContact CG-CG2 4.48Å; L448-T487 CarbonylContact C-O 3.57Å; L448-T487 VanDerWaalsContact CA-O 3.28Å; L448-T487 WeakPolarHBondContact CA-O 3.37Å; L448-A488 HydrophobicContact CG-CB 4.43Å |
| 449 | F | 91.1 | Very high | 87.1 | Confident | 105 Ų | 105 | 67 Ų | 67 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133 | 178 | -61.4 | -78.9 | 0 | 0 | 0 | 110.9 | H447 I486 T487 F489 | H447-F449 HydrophobicContact CB-CE2 4.06Å; H447-F449 HydrophobicContact CB-CZ 4.18Å; F449-I486 VanDerWaalsContact O-CA 3.3Å; F449-I486 WeakPolarHBondContact O-CA 3.32Å; F449-T487 PolarHBondContact N-O 3.06Å; F449-T487 PolarHBondContact O-N 3Å; F449-T487 PolarHBondContact O-OG1 2.88Å; F449-F489 HydrophobicContact CD2-CB 4.3Å; F449-F489 HydrophobicContact CE2-CB 3.81Å; F449-F489 HydrophobicContact CE2-CD1 4.26Å; F449-F489 HydrophobicContact CE2-CG 4.34Å |
| 450 | L | 91.8 | Very high | 87.9 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.2 | 170.4 | -70.2 | 71.7 | 0 | 0 | 0 | 107.8 | D452 T454 F457 V459 L468 F484 I486 | L450-D452 VanDerWaalsContact C-N 3.34Å; L450-T454 HydrophobicContact CB-CG2 3.83Å; L450-T454 WeakPolarHBondContact O-CG2 3.44Å; L450-F457 HydrophobicContact CD2-CB 4.16Å; L450-V459 HydrophobicContact CD1-CB 4.28Å; L450-V459 HydrophobicContact CD1-CG1 3.85Å; L450-L468 HydrophobicContact CD2-CD2 4.34Å; L450-F484 HydrophobicContact CB-CD2 4.35Å; L450-F484 HydrophobicContact CB-CE2 4.48Å; L450-F484 HydrophobicContact CD2-CD2 4.05Å; L450-F484 HydrophobicContact CD2-CE2 3.45Å; L450-F484 VanDerWaalsContact CD2-CE2 3.45Å; L450-F484 HydrophobicContact CD2-CZ 3.95Å; L450-F484 HydrophobicContact CG-CD2 4.12Å; L450-F484 HydrophobicContact CG-CE2 3.78Å; L450-I486 HydrophobicContact CG-CD1 4.47Å; L450-I486 HydrophobicContact CG-CG1 4.2Å |
| 451 | N | 89.7 | Confident | 88.3 | Confident | 103 Ų | 103 | 64.1 Ų | 64.1 | 55% | 0.551 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -73.5 | -26 | -179.8 | 73.9 | -27.7 | 0 | 0 | 0 | 113.4 | F484 L485 | N451-F484 WeakPolarHBondContact OD1-CB 3.19Å; N451-L485 HydrophobicContact CB-CB 4.32Å; N451-L485 PolarHBondContact N-O 2.78Å; N451-L485 PolarHBondContact OD1-N 2.71Å; N451-L485 PolarHBondContact OD1-O 2.89Å |
| 452 | D | 88.4 | Confident | 88.7 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 47% | 0.471 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -148.5 | 168.2 | -177.4 | -155.6 | -6.7 | 0 | 0 | 0 | 110.5 | L450 T454 F484 | L450-D452 VanDerWaalsContact C-N 3.34Å; D452-T454 PolarHBondContact O-N 2.61Å; D452-T454 VanDerWaalsContact O-N 3.14Å; D452-F484 HydrophobicContact CB-CB 4.31Å |
| 453 | Y | 90.5 | Very high | 89 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | trans | 55.5 | 26 | -179.2 | -55.2 | -71.7 | 0 | 0 | 0 | 115.4 | S455 V456 F457 Q479 Y482 F484 | Y453-S455 PolarHBondContact O-N 3.4Å; Y453-S455 VanDerWaalsContact O-N 3.16Å; Y453-V456 HydrophobicContact CD1-CG2 4.48Å; Y453-V456 PolarHBondContact O-N 2.9Å; Y453-F457 PolarHBondContact O-N 2.75Å; Y453-Q479 PolarHBondContact OH-NE2 2.84Å; Y453-Y482 AromaticContact CD1-CD1 3.59Å; Y453-Y482 HydrophobicContact CD1-CD1 3.59Å; Y453-Y482 AromaticContact CD1-CE1 3.91Å; Y453-Y482 HydrophobicContact CD1-CE1 3.91Å; Y453-Y482 HydrophobicContact CD2-CD1 4.26Å; Y453-Y482 AromaticContact CE1-CD1 3.6Å; Y453-Y482 HydrophobicContact CE1-CD1 3.6Å; Y453-Y482 AromaticContact CE1-CE1 3.9Å; Y453-Y482 HydrophobicContact CE1-CE1 3.9Å; Y453-Y482 HydrophobicContact CE2-CD1 4.27Å; Y453-Y482 AromaticContact CG-CD1 3.93Å; Y453-Y482 HydrophobicContact CG-CD1 3.93Å; Y453-Y482 AromaticContact CZ-CD1 3.96Å; Y453-F484 HydrophobicContact CD2-CB 4.05Å; Y453-F484 AromaticContact CD2-CD1 3.95Å; Y453-F484 HydrophobicContact CD2-CD1 3.95Å; Y453-F484 HydrophobicContact CD2-CG 4.37Å | ||
| 454 | T | 87.5 | Confident | 89.3 | Confident | 89 Ų | 89 | 59.7 Ų | 59.7 | 55% | 0.546 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.9 | 176.6 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | L450 D452 | L450-T454 HydrophobicContact CB-CG2 3.83Å; L450-T454 WeakPolarHBondContact O-CG2 3.44Å; D452-T454 PolarHBondContact O-N 2.61Å; D452-T454 VanDerWaalsContact O-N 3.14Å |
| 455 | S | 87.3 | Confident | 89.6 | Confident | 67 Ų | 67 | 61.1 Ų | 61.1 | 47% | 0.469 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -22.5 | 171.9 | 58 | 0 | 0 | 0 | 0 | 113.3 | Y453 Q472 | Y453-S455 PolarHBondContact O-N 3.4Å; Y453-S455 VanDerWaalsContact O-N 3.16Å; S455-Q472 VanDerWaalsContact O-CD 3.25Å; S455-Q472 VanDerWaalsContact O-CG 3.27Å; S455-Q472 WeakPolarHBondContact O-CG 3.22Å |
| 456 | V | 91.2 | Very high | 89.9 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -42.3 | -173.9 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | Y453 L470 L471 Q472 V474 Y482 | Y453-V456 HydrophobicContact CD1-CG2 4.48Å; Y453-V456 PolarHBondContact O-N 2.9Å; V456-L470 HydrophobicContact CG1-CD1 4.4Å; V456-L471 WeakPolarHBondContact O-CB 3.42Å; V456-L471 PolarHBondContact O-N 3.36Å; V456-Q472 PolarHBondContact O-N 2.84Å; V456-V474 HydrophobicContact CG1-CG1 3.68Å; V456-Y482 HydrophobicContact CG1-CE1 4.44Å |
| 457 | F | 94.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 149.5 | -179.7 | -55.2 | -71.6 | 0 | 0 | 0 | 111.5 | I419 L450 Y453 T469 L470 V474 Y482 F484 I502 | I419-F457 HydrophobicContact CD1-CD1 4.06Å; I419-F457 HydrophobicContact CD1-CE1 3.78Å; I419-F457 HydrophobicContact CG1-CD1 4.43Å; L450-F457 HydrophobicContact CD2-CB 4.16Å; Y453-F457 PolarHBondContact O-N 2.75Å; F457-T469 WeakPolarHBondContact CA-O 3.2Å; F457-L470 HydrophobicContact CD1-CD1 4.13Å; F457-L470 HydrophobicContact CE1-CD1 3.75Å; F457-V474 HydrophobicContact CZ-CG1 4.36Å; F457-Y482 AromaticContact CE2-CD1 3.81Å; F457-Y482 HydrophobicContact CE2-CD1 3.81Å; F457-Y482 HydrophobicContact CE2-CD2 4.27Å; F457-Y482 HydrophobicContact CE2-CE1 4.48Å; F457-Y482 AromaticContact CE2-CG 3.69Å; F457-Y482 HydrophobicContact CE2-CG 3.69Å; F457-Y482 HydrophobicContact CZ-CD1 4.41Å; F457-Y482 HydrophobicContact CZ-CD2 4.12Å; F457-Y482 HydrophobicContact CZ-CG 4.01Å; F457-F484 AromaticContact CD2-CE1 3.8Å; F457-F484 HydrophobicContact CD2-CE1 3.8Å; F457-F484 HydrophobicContact CD2-CZ 4.27Å; F457-F484 HydrophobicContact CE2-CE1 4.21Å; F457-I502 HydrophobicContact CD1-CD1 3.85Å; F457-I502 HydrophobicContact CD2-CD1 4.04Å; F457-I502 HydrophobicContact CE1-CD1 3.64Å; F457-I502 HydrophobicContact CE1-CG2 4.46Å; F457-I502 HydrophobicContact CE2-CD1 3.84Å; F457-I502 HydrophobicContact CG-CD1 4.05Å; F457-I502 HydrophobicContact CZ-CB 4.47Å; F457-I502 HydrophobicContact CZ-CD1 3.63Å; F457-I502 HydrophobicContact CZ-CG2 4.25Å |
| 458 | T | 93.9 | Very high | 90.3 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 158.3 | 168.7 | -167.3 | 0 | 0 | 0 | 0 | 110.5 | L468 T469 L471 | T458-L468 CarbonylContact O-C 3.6Å; T458-L468 WeakPolarHBondContact O-CA 3.42Å; T458-T469 WeakPolarHBondContact CG2-OG1 3.3Å; T458-T469 PolarHBondContact N-O 2.94Å; T458-T469 PolarHBondContact O-N 3.03Å; T458-L471 HydrophobicContact CG2-CD1 4.12Å; T458-L471 HydrophobicContact CG2-CD2 3.73Å; T458-L471 HydrophobicContact CG2-CG 3.67Å |
| 459 | V | 93 | Very high | 90.3 | Very high | 17 Ų | 17 | 52.5 Ų | 52.5 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139 | 177.8 | 64.5 | 0 | 0 | 0 | 0 | 109.1 | L448 L450 R466 Y467 L468 | L448-V459 HydrophobicContact CB-CG1 3.83Å; L448-V459 HydrophobicContact CD2-CG2 4.32Å; L450-V459 HydrophobicContact CD1-CB 4.28Å; L450-V459 HydrophobicContact CD1-CG1 3.85Å; V459-R466 HydrophobicContact CG2-CB 3.7Å; V459-R466 HydrophobicContact CG2-CG 4.46Å; V459-Y467 WeakPolarHBondContact CA-O 3.25Å; V459-L468 HydrophobicContact CB-CD2 4.13Å |
| 460 | T | 90.3 | Very high | 90.4 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 23% | 0.233 | 28% | 0.275 | C | S | . | . | trans | -58.1 | 137.6 | 177.4 | 51 | 0 | 0 | 0 | 0 | 111.1 | R466 Y467 | T460-R466 VanDerWaalsContact O-CD 3.25Å; T460-R466 WeakPolarHBondContact O-CD 3.49Å; T460-R466 PolarHBondContact O-NH1 3.26Å; T460-R466 VanDerWaalsContact OG1-CA 3.26Å; T460-R466 WeakPolarHBondContact OG1-CA 3.33Å; T460-Y467 PolarHBondContact N-O 2.98Å; T460-Y467 PolarHBondContact OG1-N 3.26Å | ||
| 461 | P | 85.7 | Confident | 90.4 | Very high | 103 Ų | 103 | 50.3 Ų | 50.3 | 67% | 0.669 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -85.6 | -8.5 | -169.7 | 33.5 | -37.7 | 0 | 0 | 0 | 115.1 | R466 | P461-R466 VanDerWaalsContact CA-NH1 3.35Å; P461-R466 VanDerWaalsContact O-CZ 3.24Å; P461-R466 PolarHBondContact O-NH1 3.28Å; P461-R466 PolarHBondContact O-NH2 3.19Å |
| 462 | T | 85.5 | Confident | 90.4 | Very high | 104 Ų | 104 | 50 Ų | 50 | 64% | 0.638 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -139.9 | 158.6 | 179.8 | 57.5 | 0 | 0 | 0 | 0 | 112 | R466 | T462-R466 VanDerWaalsContact C-CZ 3.48Å; T462-R466 VanDerWaalsContact O-CD 3.24Å; T462-R466 WeakPolarHBondContact O-CD 3.39Å; T462-R466 PolarHBondContact O-NE 2.79Å |
| 463 | G | 85.8 | Confident | 90.5 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 105.8 | 151 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D443 T465 R466 | D443-G463 WeakPolarHBondContact OD2-CA 2.95Å; D443-G463 PolarHBondContact OD2-N 3.04Å; G463-T465 VanDerWaalsContact C-N 3.26Å; G463-T465 PolarHBondContact O-N 2.83Å; G463-R466 WeakPolarHBondContact O-CD 3.4Å; G463-R466 PolarHBondContact O-NE 2.88Å |
| 464 | I | 87.5 | Confident | 90.5 | Very high | 56 Ų | 56 | 48.1 Ų | 48.1 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -61.1 | -38.7 | 175.5 | -59.7 | 166.9 | 0 | 0 | 0 | 111.2 | V432 L434 T441 D443 | V432-I464 HydrophobicContact CG1-CG2 4.22Å; L434-I464 HydrophobicContact CD2-CG2 4.03Å; T441-I464 WeakPolarHBondContact O-CD1 3.24Å; D443-I464 HydrophobicContact CB-CG1 4.25Å |
| 465 | T | 90.7 | Very high | 90.7 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 26% | 0.264 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -101.9 | 118.2 | 173.4 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | R430 V432 G463 Y467 | R430-T465 HydrophobicContact CB-CG2 3.6Å; R430-T465 HydrophobicContact CG-CG2 3.8Å; V432-T465 HydrophobicContact CG2-CG2 4.15Å; G463-T465 VanDerWaalsContact C-N 3.26Å; G463-T465 PolarHBondContact O-N 2.83Å; T465-Y467 HydrophobicContact CG2-CE1 4Å; T465-Y467 HydrophobicContact CG2-CE2 4.16Å |
| 466 | R | 92.1 | Very high | 90.9 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 4% | 0.038 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 153.1 | 174.4 | -51.7 | -55.1 | -175.7 | 90.2 | -4.6 | 110.9 | I431 D443 L446 L448 V459 T460 P461 T462 G463 | I431-R466 HydrophobicContact CB-CB 4.45Å; I431-R466 PolarHBondContact N-O 3.48Å; I431-R466 PolarHBondContact O-N 2.79Å; D443-R466 IonicContact OD1-NH2 2.88Å; D443-R466 IonicContact OD2-NH2 2.95Å; L446-R466 PolarHBondContact O-NH1 3.37Å; L446-R466 PolarHBondContact O-NH2 2.73Å; L448-R466 HydrophobicContact CD1-CG 3.98Å; V459-R466 HydrophobicContact CG2-CB 3.7Å; V459-R466 HydrophobicContact CG2-CG 4.46Å; T460-R466 VanDerWaalsContact O-CD 3.25Å; T460-R466 WeakPolarHBondContact O-CD 3.49Å; T460-R466 PolarHBondContact O-NH1 3.26Å; T460-R466 VanDerWaalsContact OG1-CA 3.26Å; T460-R466 WeakPolarHBondContact OG1-CA 3.33Å; P461-R466 VanDerWaalsContact CA-NH1 3.35Å; P461-R466 VanDerWaalsContact O-CZ 3.24Å; P461-R466 PolarHBondContact O-NH1 3.28Å; P461-R466 PolarHBondContact O-NH2 3.19Å; T462-R466 VanDerWaalsContact C-CZ 3.48Å; T462-R466 VanDerWaalsContact O-CD 3.24Å; T462-R466 WeakPolarHBondContact O-CD 3.39Å; T462-R466 PolarHBondContact O-NE 2.79Å; G463-R466 WeakPolarHBondContact O-CD 3.4Å; G463-R466 PolarHBondContact O-NE 2.88Å |
| 467 | Y | 93.6 | Very high | 90.9 | Very high | 76 Ų | 76 | 47 Ų | 47 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.2 | -179.1 | -58 | -80.8 | 0 | 0 | 0 | 110 | P428 L429 R430 V459 T460 T465 | P428-Y467 HydrophobicContact CB-CD1 3.79Å; P428-Y467 HydrophobicContact CB-CE1 3.97Å; P428-Y467 HydrophobicContact CG-CD1 4.11Å; P428-Y467 HydrophobicContact CG-CE1 3.75Å; L429-Y467 WeakPolarHBondContact O-CD1 3.1Å; R430-Y467 HydrophobicContact CG-CE1 4Å; V459-Y467 WeakPolarHBondContact CA-O 3.25Å; T460-Y467 PolarHBondContact N-O 2.98Å; T460-Y467 PolarHBondContact OG1-N 3.26Å; T465-Y467 HydrophobicContact CG2-CE1 4Å; T465-Y467 HydrophobicContact CG2-CE2 4.16Å |
| 468 | L | 93.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 132.5 | 168.2 | -75.1 | 169.6 | 0 | 0 | 0 | 109.9 | T418 I419 L429 I431 L450 T458 V459 F484 I486 V500 I502 | T418-L468 WeakPolarHBondContact CA-O 3.47Å; I419-L468 HydrophobicContact CB-CB 4.15Å; I419-L468 HydrophobicContact CG1-CB 3.71Å; I419-L468 PolarHBondContact N-O 2.81Å; L429-L468 HydrophobicContact CD2-CD1 4.32Å; I431-L468 HydrophobicContact CD1-CD1 3.71Å; I431-L468 HydrophobicContact CD1-CD2 4.34Å; I431-L468 HydrophobicContact CD1-CG 3.63Å; L450-L468 HydrophobicContact CD2-CD2 4.34Å; T458-L468 CarbonylContact O-C 3.6Å; T458-L468 WeakPolarHBondContact O-CA 3.42Å; V459-L468 HydrophobicContact CB-CD2 4.13Å; L468-F484 HydrophobicContact CD1-CZ 4.15Å; L468-I486 HydrophobicContact CD2-CD1 4.4Å; L468-V500 HydrophobicContact CD1-CG1 3.84Å; L468-I502 HydrophobicContact CD1-CD1 4.31Å |
| 469 | T | 92.7 | Very high | 90.5 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 17% | 0.172 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 152.4 | 174.8 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | A417 T418 F457 T458 | A417-T469 VanDerWaalsContact O-CA 3.32Å; A417-T469 WeakPolarHBondContact O-CA 3.42Å; T418-T469 HydrophobicContact CG2-CG2 3.77Å; F457-T469 WeakPolarHBondContact CA-O 3.2Å; T458-T469 WeakPolarHBondContact CG2-OG1 3.3Å; T458-T469 PolarHBondContact N-O 2.94Å; T458-T469 PolarHBondContact O-N 3.03Å |
| 470 | L | 93.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 123.9 | 179.2 | -166.4 | 67.4 | 0 | 0 | 0 | 110.7 | A413 G416 A417 V456 F457 Q472 V474 | A413-L470 HydrophobicContact CB-CD2 4.44Å; G416-L470 WeakPolarHBondContact CA-O 3.1Å; G416-L470 PolarHBondContact N-O 2.8Å; A417-L470 PolarHBondContact O-N 3.09Å; V456-L470 HydrophobicContact CG1-CD1 4.4Å; F457-L470 HydrophobicContact CD1-CD1 4.13Å; F457-L470 HydrophobicContact CE1-CD1 3.75Å; L470-Q472 WeakPolarHBondContact CD1-O 3.17Å; L470-Q472 WeakPolarHBondContact CG-O 3.49Å; L470-V474 HydrophobicContact CD1-CG1 3.81Å; L470-V474 HydrophobicContact CD1-CG2 4.23Å; L470-V474 HydrophobicContact CD2-CG2 4.38Å |
| 471 | L | 91.6 | Very high | 90.5 | Very high | 80 Ų | 80 | 61.9 Ų | 61.9 | 42% | 0.419 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -95.4 | -34.2 | 173.9 | -78.8 | -178.7 | 0 | 0 | 0 | 113 | V415 V456 T458 | V415-L471 WeakPolarHBondContact CG1-O 3.38Å; V456-L471 WeakPolarHBondContact O-CB 3.42Å; V456-L471 PolarHBondContact O-N 3.36Å; T458-L471 HydrophobicContact CG2-CD1 4.12Å; T458-L471 HydrophobicContact CG2-CD2 3.73Å; T458-L471 HydrophobicContact CG2-CG 3.67Å |
| 472 | Q | 89.6 | Confident | 90.8 | Very high | 97 Ų | 97 | 57.7 Ų | 57.7 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -126.4 | 143.1 | 177.2 | -74.4 | -179.6 | -9.9 | 0 | 0 | 109.4 | S455 V456 L470 V474 | S455-Q472 VanDerWaalsContact O-CD 3.25Å; S455-Q472 VanDerWaalsContact O-CG 3.27Å; S455-Q472 WeakPolarHBondContact O-CG 3.22Å; V456-Q472 PolarHBondContact O-N 2.84Å; L470-Q472 WeakPolarHBondContact CD1-O 3.17Å; L470-Q472 WeakPolarHBondContact CG-O 3.49Å; Q472-V474 PolarHBondContact O-N 2.87Å |
| 473 | P | 90 | Very high | 91.2 | Very high | 98 Ų | 98 | 56.5 Ų | 56.5 | 64% | 0.636 | 30% | 0.298 | S | S | * | . | trans | -56 | 140.9 | 174.2 | 26 | -32.7 | 0 | 0 | 0 | 109.6 | ||||
| 474 | V | 91.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | trans | -104.4 | 138.9 | 176.2 | -76.1 | 0 | 0 | 0 | 0 | 108.6 | I409 E411 V456 F457 L470 Q472 Y482 V504 | I409-V474 HydrophobicContact CG2-CG2 4.16Å; E411-V474 WeakPolarHBondContact CB-O 3.47Å; V456-V474 HydrophobicContact CG1-CG1 3.68Å; F457-V474 HydrophobicContact CZ-CG1 4.36Å; L470-V474 HydrophobicContact CD1-CG1 3.81Å; L470-V474 HydrophobicContact CD1-CG2 4.23Å; L470-V474 HydrophobicContact CD2-CG2 4.38Å; Q472-V474 PolarHBondContact O-N 2.87Å; V474-Y482 HydrophobicContact CG1-CE2 4.08Å; V474-V504 HydrophobicContact CB-CG2 4.31Å; V474-V504 HydrophobicContact CG2-CG1 4.09Å; V474-V504 HydrophobicContact CG2-CG2 4.27Å | ||
| 475 | D | 90.2 | Very high | 91.9 | Very high | 71 Ų | 71 | 55.6 Ų | 55.6 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | trans | -113.4 | 120.4 | 176.7 | 179 | -17.2 | 0 | 0 | 0 | 107.4 | E477 E478 Q479 | D475-E477 VanDerWaalsContact C-N 3.34Å; D475-E477 WeakPolarHBondContact OD1-CB 3.46Å; D475-E477 PolarHBondContact OD1-N 3.22Å; D475-E478 HydrophobicContact CB-CB 4.2Å; D475-E478 PolarHBondContact OD1-N 3.05Å; D475-Q479 PolarHBondContact O-N 3.34Å; D475-Q479 VanDerWaalsContact O-N 3.08Å | ||
| 476 | R | 92.5 | Very high | 92.1 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 6% | 0.06 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -31.6 | -176.6 | -169.8 | -160.3 | 69 | 92.2 | 7 | 111.3 | E411 E478 Q479 Q480 V504 D506 A541 E543 | E411-R476 HydrophobicContact CB-CB 4.28Å; E411-R476 IonicContact OE1-NE 3.19Å; E411-R476 WeakPolarHBondContact OE2-CB 3.1Å; E411-R476 PolarHBondContact OE2-N 3.05Å; R476-E478 VanDerWaalsContact C-N 3.25Å; R476-E478 PolarHBondContact O-N 2.62Å; R476-Q479 CarbonylContact O-C 3.55Å; R476-Q479 PolarHBondContact O-N 3.32Å; R476-Q480 HydrophobicContact CG-CG 4.21Å; R476-Q480 WeakPolarHBondContact O-CG 3.47Å; R476-V504 HydrophobicContact CB-CB 4.28Å; R476-V504 HydrophobicContact CB-CG1 3.81Å; R476-V504 HydrophobicContact CG-CB 4.17Å; R476-V504 HydrophobicContact CG-CG1 4.17Å; R476-D506 IonicContact CZ-OD1 3.69Å; R476-D506 IonicContact NE-OD1 2.69Å; R476-D506 PolarHBondContact NE-OD1 2.97Å; R476-D506 IonicContact NH2-OD1 2.88Å; R476-D506 PolarHBondContact NH2-OD1 3.18Å; R476-D506 VanDerWaalsContact NH2-OD1 3.16Å; R476-A541 PolarHBondContact NH2-O 2.75Å; R476-E543 IonicContact CZ-OE2 3.51Å; R476-E543 IonicContact NH1-OE2 3.62Å; R476-E543 PolarHBondContact NH1-OE2 3.22Å |
| 477 | E | 90.9 | Very high | 92.1 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 29% | 0.285 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -29.8 | 179.5 | -79.9 | 63.9 | -98.9 | 0 | 0 | 111.4 | D475 N510 A541 | D475-E477 VanDerWaalsContact C-N 3.34Å; D475-E477 WeakPolarHBondContact OD1-CB 3.46Å; D475-E477 PolarHBondContact OD1-N 3.22Å; E477-N510 PolarHBondContact OE2-ND2 3.11Å; E477-A541 HydrophobicContact CG-CB 3.61Å |
| 478 | E | 89.2 | Confident | 92.1 | Very high | 162 Ų | 162 | 51 Ų | 51 | 76% | 0.757 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -50.5 | 172.3 | -170.3 | 174.2 | -163.3 | 0 | 0 | 111.8 | D475 R476 | D475-E478 HydrophobicContact CB-CB 4.2Å; D475-E478 PolarHBondContact OD1-N 3.05Å; R476-E478 VanDerWaalsContact C-N 3.25Å; R476-E478 PolarHBondContact O-N 2.62Å |
| 479 | Q | 90.2 | Very high | 92 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 29% | 0.285 | 28% | 0.278 | S | S | . | . | trans | -150.5 | 116.1 | -177.9 | -173.3 | 173.4 | -24.8 | 0 | 0 | 113.9 | Y453 D475 R476 T481 Y482 | Y453-Q479 PolarHBondContact OH-NE2 2.84Å; D475-Q479 PolarHBondContact O-N 3.34Å; D475-Q479 VanDerWaalsContact O-N 3.08Å; R476-Q479 CarbonylContact O-C 3.55Å; R476-Q479 PolarHBondContact O-N 3.32Å; Q479-T481 PolarHBondContact NE2-O 3.04Å; Q479-Y482 HydrophobicContact CB-CE2 4.36Å; Q479-Y482 HydrophobicContact CG-CE1 4.32Å; Q479-Y482 HydrophobicContact CG-CE2 4.16Å | ||
| 480 | Q | 90 | Very high | 91.8 | Very high | 114 Ų | 114 | 53.5 Ų | 53.5 | 53% | 0.533 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -81.7 | -26.5 | -174.1 | -59.6 | 177.5 | 13.1 | 0 | 0 | 114.8 | R476 V504 | R476-Q480 HydrophobicContact CG-CG 4.21Å; R476-Q480 WeakPolarHBondContact O-CG 3.47Å; Q480-V504 PolarHBondContact O-N 3.19Å |
| 481 | T | 93 | Very high | 91.2 | Very high | 82 Ų | 82 | 55.7 Ų | 55.7 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 137 | -173.7 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | Q479 I502 | Q479-T481 PolarHBondContact NE2-O 3.04Å; T481-I502 WeakPolarHBondContact CA-O 3.41Å |
| 482 | Y | 93.8 | Very high | 90.7 | Very high | 15 Ų | 15 | 56.8 Ų | 56.8 | 6% | 0.059 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122 | 174.9 | -64.4 | -98 | 0 | 0 | 0 | 109.3 | Y453 V456 F457 V474 Q479 N501 I502 V504 | Y453-Y482 AromaticContact CD1-CD1 3.59Å; Y453-Y482 HydrophobicContact CD1-CD1 3.59Å; Y453-Y482 AromaticContact CD1-CE1 3.91Å; Y453-Y482 HydrophobicContact CD1-CE1 3.91Å; Y453-Y482 HydrophobicContact CD2-CD1 4.26Å; Y453-Y482 AromaticContact CE1-CD1 3.6Å; Y453-Y482 HydrophobicContact CE1-CD1 3.6Å; Y453-Y482 AromaticContact CE1-CE1 3.9Å; Y453-Y482 HydrophobicContact CE1-CE1 3.9Å; Y453-Y482 HydrophobicContact CE2-CD1 4.27Å; Y453-Y482 AromaticContact CG-CD1 3.93Å; Y453-Y482 HydrophobicContact CG-CD1 3.93Å; Y453-Y482 AromaticContact CZ-CD1 3.96Å; V456-Y482 HydrophobicContact CG1-CE1 4.44Å; F457-Y482 AromaticContact CE2-CD1 3.81Å; F457-Y482 HydrophobicContact CE2-CD1 3.81Å; F457-Y482 HydrophobicContact CE2-CD2 4.27Å; F457-Y482 HydrophobicContact CE2-CE1 4.48Å; F457-Y482 AromaticContact CE2-CG 3.69Å; F457-Y482 HydrophobicContact CE2-CG 3.69Å; F457-Y482 HydrophobicContact CZ-CD1 4.41Å; F457-Y482 HydrophobicContact CZ-CD2 4.12Å; F457-Y482 HydrophobicContact CZ-CG 4.01Å; V474-Y482 HydrophobicContact CG1-CE2 4.08Å; Q479-Y482 HydrophobicContact CB-CE2 4.36Å; Q479-Y482 HydrophobicContact CG-CE1 4.32Å; Q479-Y482 HydrophobicContact CG-CE2 4.16Å; Y482-N501 CarbonylContact O-C 3.45Å; Y482-N501 WeakPolarHBondContact O-CA 3.4Å; Y482-I502 PolarHBondContact N-O 2.99Å; Y482-I502 PolarHBondContact O-N 2.95Å; Y482-V504 HydrophobicContact CD2-CG2 4.06Å; Y482-V504 HydrophobicContact CE2-CG2 3.73Å |
| 483 | T | 93.5 | Very high | 90.3 | Very high | 79 Ų | 79 | 54.7 Ų | 54.7 | 49% | 0.485 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 122.5 | 178.5 | -64.5 | 0 | 0 | 0 | 0 | 109.4 | V499 V500 N501 | T483-V499 HydrophobicContact CG2-CG1 3.98Å; T483-V500 WeakPolarHBondContact CA-O 3.3Å; T483-N501 WeakPolarHBondContact CB-OD1 3.45Å; T483-N501 WeakPolarHBondContact CG2-OD1 3.15Å; T483-N501 PolarHBondContact OG1-OD1 2.86Å |
| 484 | F | 94.1 | Very high | 90.3 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 172.7 | 179.3 | 58.2 | -89.2 | 0 | 0 | 0 | 111.5 | L450 N451 D452 Y453 F457 L468 I486 V500 I502 | L450-F484 HydrophobicContact CB-CD2 4.35Å; L450-F484 HydrophobicContact CB-CE2 4.48Å; L450-F484 HydrophobicContact CD2-CD2 4.05Å; L450-F484 HydrophobicContact CD2-CE2 3.45Å; L450-F484 VanDerWaalsContact CD2-CE2 3.45Å; L450-F484 HydrophobicContact CD2-CZ 3.95Å; L450-F484 HydrophobicContact CG-CD2 4.12Å; L450-F484 HydrophobicContact CG-CE2 3.78Å; N451-F484 WeakPolarHBondContact OD1-CB 3.19Å; D452-F484 HydrophobicContact CB-CB 4.31Å; Y453-F484 HydrophobicContact CD2-CB 4.05Å; Y453-F484 AromaticContact CD2-CD1 3.95Å; Y453-F484 HydrophobicContact CD2-CD1 3.95Å; Y453-F484 HydrophobicContact CD2-CG 4.37Å; F457-F484 AromaticContact CD2-CE1 3.8Å; F457-F484 HydrophobicContact CD2-CE1 3.8Å; F457-F484 HydrophobicContact CD2-CZ 4.27Å; F457-F484 HydrophobicContact CE2-CE1 4.21Å; L468-F484 HydrophobicContact CD1-CZ 4.15Å; F484-I486 HydrophobicContact CD2-CG1 4.06Å; F484-I486 HydrophobicContact CE2-CD1 3.89Å; F484-I486 HydrophobicContact CE2-CG1 3.78Å; F484-V500 HydrophobicContact CD2-CB 4.33Å; F484-V500 HydrophobicContact CE1-CB 4.45Å; F484-V500 HydrophobicContact CE1-CG1 4.33Å; F484-V500 HydrophobicContact CE2-CB 3.96Å; F484-V500 HydrophobicContact CE2-CG1 4.29Å; F484-V500 HydrophobicContact CE2-CG2 4.31Å; F484-V500 HydrophobicContact CZ-CB 4.03Å; F484-V500 HydrophobicContact CZ-CG1 3.9Å; F484-V500 PolarHBondContact N-O 3.13Å; F484-V500 PolarHBondContact O-N 3.15Å; F484-I502 HydrophobicContact CE1-CD1 3.79Å; F484-I502 HydrophobicContact CE1-CG1 4.37Å; F484-I502 HydrophobicContact CZ-CD1 4.06Å |
| 485 | L | 94.3 | Very high | 90.2 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 30% | 0.304 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.1 | 178.2 | -58.5 | 173.5 | 0 | 0 | 0 | 110.8 | N451 P497 V498 V499 | N451-L485 HydrophobicContact CB-CB 4.32Å; N451-L485 PolarHBondContact N-O 2.78Å; N451-L485 PolarHBondContact OD1-N 2.71Å; N451-L485 PolarHBondContact OD1-O 2.89Å; L485-P497 HydrophobicContact CB-CB 4.28Å; L485-P497 HydrophobicContact CD1-CB 4.21Å; L485-V498 CarbonylContact C-O 3.58Å; L485-V498 VanDerWaalsContact CA-O 3.27Å; L485-V498 WeakPolarHBondContact CA-O 3.48Å; L485-V499 HydrophobicContact CD2-CB 4.27Å; L485-V499 HydrophobicContact CD2-CG2 3.55Å |
| 486 | I | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137 | 169.4 | -56 | -175.7 | 0 | 0 | 0 | 109.4 | F400 I431 L448 F449 L450 L468 F484 P497 V498 V500 | F400-I486 HydrophobicContact CE1-CG2 4.29Å; F400-I486 WeakPolarHBondContact CE2-O 3.42Å; F400-I486 HydrophobicContact CZ-CB 4.32Å; F400-I486 HydrophobicContact CZ-CG2 3.82Å; I431-I486 HydrophobicContact CD1-CD1 3.77Å; L448-I486 HydrophobicContact CB-CG2 4.12Å; L448-I486 HydrophobicContact CD2-CG2 3.95Å; L448-I486 HydrophobicContact CG-CG2 4.48Å; F449-I486 VanDerWaalsContact O-CA 3.3Å; F449-I486 WeakPolarHBondContact O-CA 3.32Å; L450-I486 HydrophobicContact CG-CD1 4.47Å; L450-I486 HydrophobicContact CG-CG1 4.2Å; L468-I486 HydrophobicContact CD2-CD1 4.4Å; F484-I486 HydrophobicContact CD2-CG1 4.06Å; F484-I486 HydrophobicContact CE2-CD1 3.89Å; F484-I486 HydrophobicContact CE2-CG1 3.78Å; I486-P497 WeakPolarHBondContact O-CA 3.45Å; I486-V498 HydrophobicContact CB-CG1 4.19Å; I486-V498 PolarHBondContact N-O 3.02Å; I486-V498 PolarHBondContact O-N 2.86Å; I486-V500 HydrophobicContact CD1-CG2 3.52Å; I486-V500 HydrophobicContact CG1-CG2 3.74Å |
| 487 | T | 93.4 | Very high | 90.2 | Very high | 33 Ų | 33 | 63 Ų | 63 | 20% | 0.202 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 145.8 | 172.8 | 46.7 | 0 | 0 | 0 | 0 | 109.3 | L448 F449 P497 | L448-T487 CarbonylContact C-O 3.57Å; L448-T487 VanDerWaalsContact CA-O 3.28Å; L448-T487 WeakPolarHBondContact CA-O 3.37Å; F449-T487 PolarHBondContact N-O 3.06Å; F449-T487 PolarHBondContact O-N 3Å; F449-T487 PolarHBondContact O-OG1 2.88Å; T487-P497 HydrophobicContact CG2-CB 3.69Å |
| 488 | A | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110 | P398 F400 A433 L446 L448 E494 S495 | P398-A488 HydrophobicContact CB-CB 4.32Å; P398-A488 HydrophobicContact CG-CB 4.39Å; P398-A488 WeakPolarHBondContact CG-O 3.46Å; F400-A488 HydrophobicContact CE2-CB 4.24Å; F400-A488 HydrophobicContact CZ-CB 3.89Å; A433-A488 HydrophobicContact CB-CB 3.99Å; L446-A488 HydrophobicContact CD1-CB 4.22Å; L448-A488 HydrophobicContact CG-CB 4.43Å; A488-E494 CarbonylContact O-C 3.6Å; A488-E494 WeakPolarHBondContact O-CA 3.32Å; A488-S495 PolarHBondContact N-OG 3.36Å; A488-S495 PolarHBondContact O-N 2.87Å |
| 489 | F | 91.3 | Very high | 90.5 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 23% | 0.228 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130 | -177.3 | 179.4 | -119.7 | 0 | 0 | 0 | 110.5 | L446 H447 F449 G491 Q493 E494 | L446-F489 WeakPolarHBondContact CA-O 3.4Å; H447-F489 PolarHBondContact N-O 3.22Å; H447-F489 PolarHBondContact O-N 3.26Å; F449-F489 HydrophobicContact CD2-CB 4.3Å; F449-F489 HydrophobicContact CE2-CB 3.81Å; F449-F489 HydrophobicContact CE2-CD1 4.26Å; F449-F489 HydrophobicContact CE2-CG 4.34Å; F489-G491 WeakPolarHBondContact CZ-O 3.45Å; F489-Q493 WeakPolarHBondContact CA-O 3.26Å; F489-Q493 WeakPolarHBondContact CD2-O 3.38Å; F489-E494 HydrophobicContact CB-CG 4.44Å; F489-E494 HydrophobicContact CD2-CG 3.55Å; F489-E494 HydrophobicContact CE2-CG 4.21Å; F489-E494 HydrophobicContact CG-CG 4.36Å |
| 490 | D | 88.1 | Confident | 90.7 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 16% | 0.155 | 29% | 0.29 | C | S | . | . | trans | -93.3 | -6.2 | -179.3 | 65.2 | 40.9 | 0 | 0 | 0 | 114 | N394 P398 L446 V492 Q493 | N394-D490 PolarHBondContact ND2-OD1 3.25Å; P398-D490 WeakPolarHBondContact CD-OD2 3.24Å; P398-D490 HydrophobicContact CG-CB 4.38Å; L446-D490 HydrophobicContact CD2-CB 3.59Å; D490-V492 WeakPolarHBondContact OD1-CA 3.25Å; D490-V492 PolarHBondContact OD1-N 2.82Å; D490-Q493 PolarHBondContact N-O 3.44Å; D490-Q493 PolarHBondContact OD1-N 2.99Å; D490-Q493 WeakPolarHBondContact OD2-CB 3.24Å; D490-Q493 PolarHBondContact OD2-N 3.43Å | ||
| 491 | G | 82 | Confident | 90.9 | Very high | 48 Ų | 48 | 49.3 Ų | 49.3 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 111.9 | -20.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F489 | F489-G491 WeakPolarHBondContact CZ-O 3.45Š|
| 492 | V | 80.2 | Confident | 90.9 | Very high | 102 Ų | 102 | 45.6 Ų | 45.6 | 62% | 0.618 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -127 | -48 | 179.5 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | N394 D490 | N394-V492 WeakPolarHBondContact ND2-CG2 3.14Å; D490-V492 WeakPolarHBondContact OD1-CA 3.25Å; D490-V492 PolarHBondContact OD1-N 2.82Å |
| 493 | Q | 81.9 | Confident | 90.9 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | trans | -119.7 | 149.7 | -174.2 | -55.5 | 174 | 88.3 | 0 | 0 | 112.7 | N394 N395 Q396 F489 D490 | N394-Q493 PolarHBondContact OD1-NE2 2.85Å; N395-Q493 PolarHBondContact O-NE2 2.89Å; N395-Q493 PolarHBondContact O-OE1 2.87Å; Q396-Q493 PolarHBondContact O-NE2 2.87Å; F489-Q493 WeakPolarHBondContact CA-O 3.26Å; F489-Q493 WeakPolarHBondContact CD2-O 3.38Å; D490-Q493 PolarHBondContact N-O 3.44Å; D490-Q493 PolarHBondContact OD1-N 2.99Å; D490-Q493 WeakPolarHBondContact OD2-CB 3.24Å; D490-Q493 PolarHBondContact OD2-N 3.43Å | ||
| 494 | E | 88.7 | Confident | 90.8 | Very high | 130 Ų | 130 | 46.9 Ų | 46.9 | 61% | 0.607 | 25% | 0.25 | S | S | * | . | B | Isolated β-bridge | trans | -107.5 | 143.2 | 178 | -69.3 | -178.9 | -179.3 | 0 | 0 | 110.7 | A488 F489 | A488-E494 CarbonylContact O-C 3.6Å; A488-E494 WeakPolarHBondContact O-CA 3.32Å; F489-E494 HydrophobicContact CB-CG 4.44Å; F489-E494 HydrophobicContact CD2-CG 3.55Å; F489-E494 HydrophobicContact CE2-CG 4.21Å; F489-E494 HydrophobicContact CG-CG 4.36Å |
| 495 | S | 91.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 160.1 | 172.8 | 78.5 | 0 | 0 | 0 | 0 | 111.8 | P398 F400 A488 | P398-S495 VanDerWaalsContact O-CA 3.25Å; P398-S495 WeakPolarHBondContact O-CA 3.25Å; P398-S495 WeakPolarHBondContact O-CB 3.46Å; F400-S495 VanDerWaalsContact CE2-OG 3.24Å; F400-S495 WeakPolarHBondContact CE2-OG 3.16Å; A488-S495 PolarHBondContact N-OG 3.36Å; A488-S495 PolarHBondContact O-N 2.87Å |
| 496 | E | 88.8 | Confident | 90.4 | Very high | 164 Ų | 164 | 47.7 Ų | 47.7 | 77% | 0.766 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 139.2 | 162.1 | -69.3 | -63.8 | 136.7 | 0 | 0 | 110.9 | ||
| 497 | P | 93.2 | Very high | 90.2 | Very high | 68 Ų | 68 | 48.2 Ų | 48.2 | 44% | 0.442 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 137.8 | -178.1 | 26.1 | -32.7 | 0 | 0 | 0 | 112.3 | L485 I486 T487 | L485-P497 HydrophobicContact CB-CB 4.28Å; L485-P497 HydrophobicContact CD1-CB 4.21Å; I486-P497 WeakPolarHBondContact O-CA 3.45Å; T487-P497 HydrophobicContact CG2-CB 3.69Å |
| 498 | V | 93.2 | Very high | 90 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 140.7 | -179.6 | 78.1 | 0 | 0 | 0 | 0 | 112.1 | F400 M402 P403 Y405 L485 I486 | F400-V498 HydrophobicContact CD1-CG1 4.03Å; F400-V498 HydrophobicContact CD2-CB 3.81Å; F400-V498 HydrophobicContact CD2-CG1 3.67Å; F400-V498 HydrophobicContact CE1-CG1 4.13Å; F400-V498 HydrophobicContact CE2-CB 4.23Å; F400-V498 HydrophobicContact CE2-CG1 3.75Å; F400-V498 HydrophobicContact CG-CB 4.16Å; F400-V498 HydrophobicContact CG-CG1 3.82Å; F400-V498 HydrophobicContact CZ-CG1 4.01Å; M402-V498 WeakPolarHBondContact O-CG2 3.32Å; P403-V498 WeakPolarHBondContact O-CG2 3.12Å; Y405-V498 HydrophobicContact CD2-CG1 4.1Å; Y405-V498 HydrophobicContact CD2-CG2 4.33Å; Y405-V498 HydrophobicContact CE2-CG1 3.97Å; Y405-V498 HydrophobicContact CE2-CG2 4.27Å; L485-V498 CarbonylContact C-O 3.58Å; L485-V498 VanDerWaalsContact CA-O 3.27Å; L485-V498 WeakPolarHBondContact CA-O 3.48Å; I486-V498 HydrophobicContact CB-CG1 4.19Å; I486-V498 PolarHBondContact N-O 3.02Å; I486-V498 PolarHBondContact O-N 2.86Å |
| 499 | V | 94 | Very high | 89.8 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 33% | 0.333 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 133.9 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | S404 Y405 T483 L485 | S404-V499 CarbonylContact C-O 3.55Å; S404-V499 VanDerWaalsContact CA-O 3.32Å; S404-V499 WeakPolarHBondContact CA-O 3.25Å; Y405-V499 PolarHBondContact N-O 2.94Å; T483-V499 HydrophobicContact CG2-CG1 3.98Å; L485-V499 HydrophobicContact CD2-CB 4.27Å; L485-V499 HydrophobicContact CD2-CG2 3.55Å |
| 500 | V | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.6 | 171 | -175.3 | 0 | 0 | 0 | 0 | 110 | Y405 L468 T483 F484 I486 I502 | Y405-V500 HydrophobicContact CD2-CG2 4.26Å; Y405-V500 WeakPolarHBondContact O-CA 3.48Å; L468-V500 HydrophobicContact CD1-CG1 3.84Å; T483-V500 WeakPolarHBondContact CA-O 3.3Å; F484-V500 HydrophobicContact CD2-CB 4.33Å; F484-V500 HydrophobicContact CE1-CB 4.45Å; F484-V500 HydrophobicContact CE1-CG1 4.33Å; F484-V500 HydrophobicContact CE2-CB 3.96Å; F484-V500 HydrophobicContact CE2-CG1 4.29Å; F484-V500 HydrophobicContact CE2-CG2 4.31Å; F484-V500 HydrophobicContact CZ-CB 4.03Å; F484-V500 HydrophobicContact CZ-CG1 3.9Å; F484-V500 PolarHBondContact N-O 3.13Å; F484-V500 PolarHBondContact O-N 3.15Å; I486-V500 HydrophobicContact CD1-CG2 3.52Å; I486-V500 HydrophobicContact CG1-CG2 3.74Å; V500-I502 HydrophobicContact CG1-CG1 4.16Å |
| 501 | N | 93.7 | Very high | 89.8 | Confident | 48 Ų | 48 | 51.7 Ų | 51.7 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 117.8 | 178.1 | -70.7 | -36.1 | 0 | 0 | 0 | 110.1 | Y405 Q406 G407 Y482 T483 | Y405-N501 PolarHBondContact O-N 2.94Å; Q406-N501 CarbonylContact C-O 3.57Å; Q406-N501 WeakPolarHBondContact CA-O 3.42Å; Q406-N501 PolarHBondContact NE2-O 3.26Å; G407-N501 PolarHBondContact N-O 2.73Å; Y482-N501 CarbonylContact O-C 3.45Å; Y482-N501 WeakPolarHBondContact O-CA 3.4Å; T483-N501 WeakPolarHBondContact CB-OD1 3.45Å; T483-N501 WeakPolarHBondContact CG2-OD1 3.15Å; T483-N501 PolarHBondContact OG1-OD1 2.86Å |
| 502 | I | 93.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.1 | 177.7 | -55.7 | 176.3 | 0 | 0 | 0 | 109 | G407 I409 I419 F457 L468 T481 Y482 F484 V500 | G407-I502 WeakPolarHBondContact O-CA 3.32Å; I409-I502 HydrophobicContact CG2-CG2 3.91Å; I419-I502 HydrophobicContact CD1-CD1 4.39Å; I419-I502 HydrophobicContact CD1-CG2 4.41Å; I419-I502 HydrophobicContact CG1-CD1 4.2Å; I419-I502 HydrophobicContact CG2-CD1 4.42Å; I419-I502 HydrophobicContact CG2-CG1 4.38Å; I419-I502 HydrophobicContact CG2-CG2 4.26Å; F457-I502 HydrophobicContact CD1-CD1 3.85Å; F457-I502 HydrophobicContact CD2-CD1 4.04Å; F457-I502 HydrophobicContact CE1-CD1 3.64Å; F457-I502 HydrophobicContact CE1-CG2 4.46Å; F457-I502 HydrophobicContact CE2-CD1 3.84Å; F457-I502 HydrophobicContact CG-CD1 4.05Å; F457-I502 HydrophobicContact CZ-CB 4.47Å; F457-I502 HydrophobicContact CZ-CD1 3.63Å; F457-I502 HydrophobicContact CZ-CG2 4.25Å; L468-I502 HydrophobicContact CD1-CD1 4.31Å; T481-I502 WeakPolarHBondContact CA-O 3.41Å; Y482-I502 PolarHBondContact N-O 2.99Å; Y482-I502 PolarHBondContact O-N 2.95Å; F484-I502 HydrophobicContact CE1-CD1 3.79Å; F484-I502 HydrophobicContact CE1-CG1 4.37Å; F484-I502 HydrophobicContact CZ-CD1 4.06Å; V500-I502 HydrophobicContact CG1-CG1 4.16Å |
| 503 | R | 92.9 | Very high | 90.9 | Very high | 118 Ų | 118 | 48.4 Ų | 48.4 | 45% | 0.445 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.5 | 173 | -174.1 | 176.6 | -179.6 | -173.4 | -1.2 | 110.1 | G407 Y408 I409 | G407-R503 PolarHBondContact O-N 3.32Å; Y408-R503 WeakPolarHBondContact CA-O 3.35Å; Y408-R503 HydrophobicContact CD1-CB 4Å; Y408-R503 HydrophobicContact CE1-CB 4.22Å; I409-R503 PolarHBondContact N-O 2.94Å; I409-R503 VanDerWaalsContact N-O 3.14Å |
| 504 | V | 92.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 133 | 174 | -169.8 | 0 | 0 | 0 | 0 | 109 | I409 E411 V474 R476 Q480 Y482 | I409-V504 HydrophobicContact CG2-CG2 4.26Å; I409-V504 CarbonylContact O-C 3.59Å; I409-V504 WeakPolarHBondContact O-CA 3.34Å; E411-V504 HydrophobicContact CB-CG1 3.71Å; V474-V504 HydrophobicContact CB-CG2 4.31Å; V474-V504 HydrophobicContact CG2-CG1 4.09Å; V474-V504 HydrophobicContact CG2-CG2 4.27Å; R476-V504 HydrophobicContact CB-CB 4.28Å; R476-V504 HydrophobicContact CB-CG1 3.81Å; R476-V504 HydrophobicContact CG-CB 4.17Å; R476-V504 HydrophobicContact CG-CG1 4.17Å; Q480-V504 PolarHBondContact O-N 3.19Å; Y482-V504 HydrophobicContact CD2-CG2 4.06Å; Y482-V504 HydrophobicContact CE2-CG2 3.73Å |
| 505 | M | 90.1 | Very high | 91.4 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136.8 | -179.7 | -66.8 | -176.3 | 55.6 | 0 | 0 | 110.3 | I409 L410 E411 L423 L425 | I409-M505 PolarHBondContact O-N 3.17Å; L410-M505 HydrophobicContact CD1-CB 3.96Å; E411-M505 PolarHBondContact N-O 3.48Å; L423-M505 WeakPolarHBondContact O-CE 3.27Å; L425-M505 HydrophobicContact CD1-SD 4.18Å; L425-M505 HydrophobicContact CD2-SD 3.8Å; L425-M505 HydrophobicContact CG-SD 4.01Å |
| 506 | D | 89.4 | Confident | 91.3 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 16% | 0.16 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 135.4 | -178.2 | -169.8 | 86.7 | 0 | 0 | 0 | 112.6 | E411 R476 E543 N546 | E411-D506 VanDerWaalsContact OE1-CA 3.23Å; E411-D506 WeakPolarHBondContact OE1-CA 3.44Å; R476-D506 IonicContact CZ-OD1 3.69Å; R476-D506 IonicContact NE-OD1 2.69Å; R476-D506 PolarHBondContact NE-OD1 2.97Å; R476-D506 IonicContact NH2-OD1 2.88Å; R476-D506 PolarHBondContact NH2-OD1 3.18Å; R476-D506 VanDerWaalsContact NH2-OD1 3.16Å; D506-E543 HydrophobicContact CB-CB 3.95Å; D506-E543 VanDerWaalsContact CG-N 3.33Å; D506-E543 VanDerWaalsContact OD1-CB 3.31Å; D506-E543 WeakPolarHBondContact OD1-CB 3.25Å; D506-E543 PolarHBondContact OD1-N 3.05Å; D506-E543 PolarHBondContact OD2-N 3.01Å; D506-N546 PolarHBondContact OD2-ND2 2.63Å |
| 507 | A | 88.5 | Confident | 91.2 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | trans | -124.8 | 143.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | L410 E411 S412 D509 | L410-A507 HydrophobicContact CD1-CB 4.41Å; L410-A507 HydrophobicContact CD2-CB 4.49Å; L410-A507 HydrophobicContact CG-CB 4.21Å; E411-A507 HydrophobicContact CG-CB 3.88Å; E411-A507 PolarHBondContact OE1-N 3.47Å; S412-A507 WeakPolarHBondContact OG-CB 3.39Å; A507-D509 PolarHBondContact O-N 3.24Å | ||
| 508 | N | 90.1 | Very high | 91 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 8% | 0.08 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -70.1 | 78.6 | 179.1 | -163.4 | 53.2 | 0 | 0 | 0 | 110.6 | D542 N546 D592 E598 R600 | N508-D542 VanDerWaalsContact CA-OD2 3.29Å; N508-D542 WeakPolarHBondContact CA-OD2 3.47Å; N508-D542 PolarHBondContact OD1-OD2 2.62Å; N508-D542 VanDerWaalsContact OD1-OD2 3.04Å; N508-N546 HydrophobicContact CB-CB 4.09Å; N508-N546 WeakPolarHBondContact OD1-CA 3.11Å; N508-N546 WeakPolarHBondContact OD1-CB 3.2Å; N508-N546 PolarHBondContact OD1-O 2.84Å; N508-D592 PolarHBondContact ND2-OD2 3.26Å; N508-D592 PolarHBondContact OD1-OD2 2.86Å; N508-E598 PolarHBondContact ND2-O 3.27Å; N508-R600 PolarHBondContact O-NE 2.68Å; N508-R600 PolarHBondContact O-NH2 2.88Å |
| 509 | D | 88.9 | Confident | 90.9 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | trans | -118.6 | -11.6 | -171 | 94.8 | -23 | 0 | 0 | 0 | 114.9 | A507 D542 R600 | A507-D509 PolarHBondContact O-N 3.24Å; D509-D542 PolarHBondContact N-OD2 3.17Å; D509-D542 VanDerWaalsContact N-OD2 3.14Å; D509-R600 PolarHBondContact O-NH1 2.94Å | ||
| 510 | N | 89 | Confident | 90.6 | Very high | 53 Ų | 53 | 52 Ų | 52 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -85.6 | 176.6 | 162.7 | -68.2 | -82.7 | 0 | 0 | 0 | 110.3 | E477 D540 A541 D542 R600 | E477-N510 PolarHBondContact OE2-ND2 3.11Å; N510-D540 WeakPolarHBondContact CB-OD1 3.4Å; N510-A541 HydrophobicContact CB-CB 4.45Å; N510-D542 VanDerWaalsContact CB-OD1 3.28Å; N510-D542 WeakPolarHBondContact CB-OD1 3.27Å; N510-D542 PolarHBondContact N-OD1 3.37Å; N510-D542 VanDerWaalsContact N-OD1 3.16Å; N510-D542 PolarHBondContact N-OD2 3.25Å; N510-D542 VanDerWaalsContact N-OD2 3.16Å; N510-D542 PolarHBondContact ND2-OD1 2.86Å; N510-R600 WeakPolarHBondContact O-CD 3.49Å; N510-R600 PolarHBondContact O-NH1 3.41Å |
| 511 | T | 90.1 | Very high | 90.3 | Very high | 49 Ų | 49 | 52.9 Ų | 52.9 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | trans | -140.5 | 137.2 | 176.5 | -64.6 | 0 | 0 | 0 | 0 | 106.8 | T513 R600 | T511-T513 PolarHBondContact O-N 2.81Å; T511-T513 PolarHBondContact O-OG1 3.42Å; T511-R600 HydrophobicContact CG2-CB 4.01Å; T511-R600 WeakPolarHBondContact OG1-CD 3.37Å | ||
| 512 | P | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -58.5 | 117.9 | -179.4 | -21.3 | 29.5 | 0 | 0 | 0 | 108.8 | A538 D540 I549 A590 D592 S602 | P512-A538 HydrophobicContact CB-CB 4.41Å; P512-D540 HydrophobicContact CB-CB 4.39Å; P512-D540 WeakPolarHBondContact CD-OD2 3.31Å; P512-D540 HydrophobicContact CG-CB 4.35Å; P512-D540 WeakPolarHBondContact CG-OD2 3.46Å; P512-I549 HydrophobicContact CB-CD1 4.14Å; P512-I549 HydrophobicContact CB-CG1 4.09Å; P512-I549 HydrophobicContact CB-CG2 4.24Å; P512-I549 HydrophobicContact CG-CG1 4.42Å; P512-A590 HydrophobicContact CB-CB 4.07Å; P512-D592 HydrophobicContact CG-CB 3.95Å; P512-S602 WeakPolarHBondContact O-CB 3.24Å; P512-S602 PolarHBondContact O-OG 2.81Å | ||
| 513 | T | 91 | Very high | 89.5 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -122.3 | 129.1 | -170.3 | -61.5 | 0 | 0 | 0 | 0 | 111 | T511 A538 V539 | T511-T513 PolarHBondContact O-N 2.81Å; T511-T513 PolarHBondContact O-OG1 3.42Å; T513-A538 CarbonylContact O-C 3.6Å; T513-A538 VanDerWaalsContact O-CA 3.22Å; T513-A538 WeakPolarHBondContact O-CA 3.44Å; T513-V539 PolarHBondContact N-O 2.87Å; T513-V539 PolarHBondContact O-N 2.8Å |
| 514 | F | 92.1 | Very high | 89 | Confident | 15 Ų | 15 | 54 Ų | 54 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | trans | -78.9 | 139.1 | 170.7 | -64.6 | -78.8 | 0 | 0 | 0 | 110.5 | E516 L536 A538 Y551 V588 A590 S602 C604 | F514-E516 VanDerWaalsContact C-N 3.28Å; F514-E516 PolarHBondContact O-N 2.83Å; F514-L536 HydrophobicContact CE1-CB 4.1Å; F514-A538 HydrophobicContact CD1-CB 3.9Å; F514-A538 HydrophobicContact CE1-CB 3.9Å; F514-A538 HydrophobicContact CG-CB 4.27Å; F514-A538 HydrophobicContact CZ-CB 4.28Å; F514-Y551 HydrophobicContact CE1-CD1 4.07Å; F514-Y551 AromaticContact CE1-CE1 3.74Å; F514-Y551 HydrophobicContact CE1-CE1 3.74Å; F514-Y551 HydrophobicContact CZ-CD1 4.09Å; F514-Y551 HydrophobicContact CZ-CE1 4.1Å; F514-V588 HydrophobicContact CZ-CG1 4.34Å; F514-A590 HydrophobicContact CE1-CB 4.18Å; F514-A590 HydrophobicContact CE2-CB 3.58Å; F514-A590 HydrophobicContact CZ-CB 3.38Å; F514-S602 WeakPolarHBondContact CD2-OG 3.35Å; F514-C604 HydrophobicContact CB-CB 4.14Å; F514-C604 HydrophobicContact CD1-CB 4.45Å; F514-C604 HydrophobicContact CD2-CB 3.69Å; F514-C604 HydrophobicContact CE2-CB 4.14Å; F514-C604 HydrophobicContact CG-CB 3.85Å | ||
| 515 | P | 89 | Confident | 88.5 | Confident | 86 Ų | 86 | 56.3 Ų | 56.3 | 56% | 0.558 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -56.9 | -40.1 | 175.4 | -27.1 | 33.1 | 0 | 0 | 0 | 113.6 | Y519 T537 | P515-Y519 WeakPolarHBondContact CD-OH 3.19Å; P515-T537 WeakPolarHBondContact CD-O 3.27Å |
| 516 | E | 88 | Confident | 88 | Confident | 110 Ų | 110 | 59 Ų | 59 | 51% | 0.514 | 31% | 0.311 | S | S | . | . | trans | -115.8 | 142 | 176.7 | -55.2 | -68.6 | 163.5 | 0 | 0 | 111.2 | F514 S518 Y519 | F514-E516 VanDerWaalsContact C-N 3.28Å; F514-E516 PolarHBondContact O-N 2.83Å; E516-S518 VanDerWaalsContact C-N 3.28Å; E516-Y519 HydrophobicContact CB-CD1 4.14Å; E516-Y519 HydrophobicContact CB-CD2 4.45Å; E516-Y519 HydrophobicContact CB-CE1 3.63Å; E516-Y519 HydrophobicContact CB-CE2 3.96Å; E516-Y519 HydrophobicContact CG-CD1 4.26Å; E516-Y519 HydrophobicContact CG-CE1 3.67Å; E516-Y519 PolarHBondContact N-OH 3.42Å; E516-Y519 VanDerWaalsContact N-OH 3.15Å; E516-Y519 WeakPolarHBondContact O-CE2 3.4Å | ||
| 517 | I | 86.5 | Confident | 87.6 | Confident | 147 Ų | 147 | 59.8 Ų | 59.8 | 75% | 0.754 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -69.9 | -26.4 | 172.6 | 45.2 | 168.3 | 0 | 0 | 0 | 112.5 | C604 T605 | I517-C604 WeakPolarHBondContact O-CA 3.05Å; I517-T605 PolarHBondContact O-N 3.22Å; I517-T605 VanDerWaalsContact O-N 3.07Å |
| 518 | S | 90.4 | Very high | 87.2 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 147.8 | 174.9 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | E516 T605 | E516-S518 VanDerWaalsContact C-N 3.28Å; S518-T605 CarbonylContact C-O 3.54Å; S518-T605 WeakPolarHBondContact CA-O 3.13Å; S518-T605 WeakPolarHBondContact CB-O 3.27Å |
| 519 | Y | 90.3 | Very high | 86.9 | Confident | 41 Ų | 41 | 65 Ų | 65 | 16% | 0.161 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.6 | 177.5 | -59.9 | -92.3 | 0 | 0 | 0 | 109.7 | P515 E516 I534 L536 C604 T605 V606 Y607 | P515-Y519 WeakPolarHBondContact CD-OH 3.19Å; E516-Y519 HydrophobicContact CB-CD1 4.14Å; E516-Y519 HydrophobicContact CB-CD2 4.45Å; E516-Y519 HydrophobicContact CB-CE1 3.63Å; E516-Y519 HydrophobicContact CB-CE2 3.96Å; E516-Y519 HydrophobicContact CG-CD1 4.26Å; E516-Y519 HydrophobicContact CG-CE1 3.67Å; E516-Y519 PolarHBondContact N-OH 3.42Å; E516-Y519 VanDerWaalsContact N-OH 3.15Å; E516-Y519 WeakPolarHBondContact O-CE2 3.4Å; Y519-I534 HydrophobicContact CD1-CD1 3.9Å; Y519-I534 HydrophobicContact CG-CD1 3.86Å; Y519-L536 HydrophobicContact CD2-CD2 3.71Å; Y519-L536 HydrophobicContact CE2-CD2 3.72Å; Y519-L536 HydrophobicContact CG-CD2 4.3Å; Y519-C604 HydrophobicContact CE2-CB 4.34Å; Y519-T605 PolarHBondContact N-O 3.03Å; Y519-V606 HydrophobicContact CD2-CG2 4.37Å; Y519-V606 CarbonylContact O-C 3.59Å; Y519-V606 WeakPolarHBondContact O-CA 3.49Å; Y519-Y607 PolarHBondContact O-N 2.86Å |
| 520 | D | 87.3 | Confident | 86.6 | Confident | 115 Ų | 115 | 64 Ų | 64 | 62% | 0.615 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.6 | 170.9 | -64.7 | -65.3 | 0 | 0 | 0 | 109.5 | Y607 | D520-Y607 CarbonylContact C-O 3.48Å; D520-Y607 WeakPolarHBondContact CA-O 3.4Å; D520-Y607 WeakPolarHBondContact OD1-CB 3.5Å |
| 521 | V | 88.8 | Confident | 86.4 | Confident | 20 Ų | 20 | 64.6 Ų | 64.6 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127.2 | -176.7 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | V523 V533 I534 V606 Y607 I608 E609 | V521-V523 HydrophobicContact CG1-CG1 4.37Å; V521-V533 HydrophobicContact CB-CG1 4.39Å; V521-V533 HydrophobicContact CG1-CG1 3.73Å; V521-I534 HydrophobicContact CG2-CB 4.01Å; V521-I534 HydrophobicContact CG2-CD1 3.63Å; V521-I534 HydrophobicContact CG2-CG1 4.36Å; V521-I534 HydrophobicContact CG2-CG2 4.26Å; V521-V606 HydrophobicContact CG2-CG1 3.86Å; V521-Y607 PolarHBondContact N-O 3.34Å; V521-I608 HydrophobicContact CB-CG1 4.43Å; V521-I608 CarbonylContact O-C 3.6Å; V521-I608 VanDerWaalsContact O-CA 3.27Å; V521-I608 WeakPolarHBondContact O-CA 3.14Å; V521-E609 PolarHBondContact O-N 3.08Å |
| 522 | Y | 84.6 | Confident | 86.1 | Confident | 124 Ų | 124 | 66 Ų | 66 | 49% | 0.486 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119 | 172.6 | -56.9 | -68.8 | 0 | 0 | 0 | 109.4 | E609 L611 | Y522-E609 WeakPolarHBondContact CA-O 3.44Å; Y522-E609 HydrophobicContact CD1-CB 3.95Å; Y522-E609 HydrophobicContact CD1-CG 4.46Å; Y522-E609 HydrophobicContact CE1-CB 4.16Å; Y522-E609 WeakPolarHBondContact CE1-OE2 3.18Å; Y522-L611 HydrophobicContact CD1-CD1 3.64Å; Y522-L611 HydrophobicContact CD1-CG 4.02Å; Y522-L611 HydrophobicContact CE1-CD1 4.45Å; Y522-L611 HydrophobicContact CG-CD1 3.79Å; Y522-L611 HydrophobicContact CG-CG 4.47Å |
| 523 | V | 85.9 | Confident | 85.9 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 148.3 | 172.5 | -64.3 | 0 | 0 | 0 | 0 | 109.1 | V521 M527 V533 L578 I608 E609 V610 L611 | V521-V523 HydrophobicContact CG1-CG1 4.37Å; V523-M527 HydrophobicContact CB-SD 3.68Å; V523-M527 HydrophobicContact CG1-CE 4.45Å; V523-M527 HydrophobicContact CG1-SD 4.02Å; V523-V533 HydrophobicContact CG1-CB 4.36Å; V523-V533 HydrophobicContact CG1-CG1 3.69Å; V523-V533 HydrophobicContact CG1-CG2 4.05Å; V523-L578 HydrophobicContact CB-CD1 4.18Å; V523-L578 HydrophobicContact CG2-CD1 3.89Å; V523-I608 HydrophobicContact CB-CG2 4.21Å; V523-I608 HydrophobicContact CG1-CG2 3.78Å; V523-I608 HydrophobicContact CG2-CG2 3.42Å; V523-I608 VanDerWaalsContact CG2-CG2 3.42Å; V523-E609 PolarHBondContact N-O 3.19Å; V523-V610 HydrophobicContact CG2-CB 4.21Å; V523-V610 HydrophobicContact CG2-CG1 4.41Å; V523-V610 HydrophobicContact CG2-CG2 3.7Å; V523-V610 CarbonylContact O-C 3.58Å; V523-V610 VanDerWaalsContact O-CA 3.27Å; V523-V610 WeakPolarHBondContact O-CA 3.38Å; V523-L611 PolarHBondContact O-N 3.25Å |
| 524 | Y | 83.2 | Confident | 85.8 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 27% | 0.267 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 149.3 | -175.9 | -57.7 | -84.5 | 0 | 0 | 0 | 110.5 | D526 M527 L611 P612 N614 | Y524-D526 WeakPolarHBondContact CB-OD1 2.97Å; Y524-D526 PolarHBondContact O-N 3.03Å; Y524-D526 VanDerWaalsContact O-N 3.16Å; Y524-M527 PolarHBondContact N-SD 2.81Å; Y524-M527 VanDerWaalsContact O-CB 3.31Å; Y524-M527 WeakPolarHBondContact O-CB 3.14Å; Y524-M527 VanDerWaalsContact O-CG 3.29Å; Y524-M527 WeakPolarHBondContact O-CG 3.34Å; Y524-M527 PolarHBondContact O-N 2.97Å; Y524-L611 WeakPolarHBondContact CA-O 3.38Å; Y524-L611 HydrophobicContact CD1-CB 3.79Å; Y524-L611 HydrophobicContact CE1-CB 3.81Å; Y524-L611 HydrophobicContact CE1-CD1 4.17Å; Y524-P612 VanDerWaalsContact CD1-O 3.27Å; Y524-P612 WeakPolarHBondContact CD1-O 3.3Å; Y524-N614 HydrophobicContact CE1-CB 4.11Å |
| 525 | T | 81.8 | Confident | 85.8 | Confident | 52 Ų | 52 | 69.4 Ų | 69.4 | 32% | 0.319 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11.3 | -177.2 | 50.9 | 0 | 0 | 0 | 0 | 115 | M527 V580 V610 L611 | T525-M527 VanDerWaalsContact C-N 3.34Å; T525-V580 HydrophobicContact CG2-CB 4.29Å; T525-V580 HydrophobicContact CG2-CG2 3.35Å; T525-V610 HydrophobicContact CG2-CG1 3.56Å; T525-L611 PolarHBondContact N-O 3.14Å |
| 526 | D | 79.1 | Confident | 85.9 | Confident | 106 Ų | 106 | 65.3 Ų | 65.3 | 57% | 0.567 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 3.2 | 173 | 60.6 | -24.4 | 0 | 0 | 0 | 113.4 | Y524 | Y524-D526 WeakPolarHBondContact CB-OD1 2.97Å; Y524-D526 PolarHBondContact O-N 3.03Å; Y524-D526 VanDerWaalsContact O-N 3.16Å |
| 527 | M | 81.3 | Confident | 86.1 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -73 | 137.3 | 171.8 | -64.6 | 179.4 | 70.5 | 0 | 0 | 111.7 | V523 Y524 T525 D531 I572 | V523-M527 HydrophobicContact CB-SD 3.68Å; V523-M527 HydrophobicContact CG1-CE 4.45Å; V523-M527 HydrophobicContact CG1-SD 4.02Å; Y524-M527 PolarHBondContact N-SD 2.81Å; Y524-M527 VanDerWaalsContact O-CB 3.31Å; Y524-M527 WeakPolarHBondContact O-CB 3.14Å; Y524-M527 VanDerWaalsContact O-CG 3.29Å; Y524-M527 WeakPolarHBondContact O-CG 3.34Å; Y524-M527 PolarHBondContact O-N 2.97Å; T525-M527 VanDerWaalsContact C-N 3.34Å; M527-D531 WeakPolarHBondContact CA-OD2 3.04Å; M527-D531 HydrophobicContact CB-CB 4.38Å; M527-D531 HydrophobicContact CE-CB 3.9Å; M527-I572 HydrophobicContact CB-CD1 3.66Å; M527-I572 HydrophobicContact CE-CD1 4.17Å |
| 528 | S | 80.4 | Confident | 86.3 | Confident | 64 Ų | 64 | 57 Ų | 57 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 152.5 | -178.6 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | G530 D531 | S528-G530 PolarHBondContact O-N 2.98Å; S528-D531 PolarHBondContact N-OD2 2.79Å; S528-D531 WeakPolarHBondContact O-CB 3.48Å; S528-D531 VanDerWaalsContact O-CG 3.26Å; S528-D531 PolarHBondContact O-N 2.87Å |
| 529 | P | 83.4 | Confident | 86.3 | Confident | 72 Ų | 72 | 59.4 Ų | 59.4 | 47% | 0.468 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 130.2 | 171 | -24 | 33.4 | 0 | 0 | 0 | 111.6 | ||
| 530 | G | 82.9 | Confident | 86.4 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -11.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S528 S532 I572 | S528-G530 PolarHBondContact O-N 2.98Å; G530-S532 PolarHBondContact O-N 2.75Å; G530-I572 PolarHBondContact N-O 3.01Å |
| 531 | D | 83.9 | Confident | 86.5 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 35% | 0.348 | 32% | 0.322 | S | S | . | . | trans | -62.7 | 138.3 | 173.4 | -73 | -8.1 | 0 | 0 | 0 | 110.2 | M527 S528 V533 S571 I572 | M527-D531 WeakPolarHBondContact CA-OD2 3.04Å; M527-D531 HydrophobicContact CB-CB 4.38Å; M527-D531 HydrophobicContact CE-CB 3.9Å; S528-D531 PolarHBondContact N-OD2 2.79Å; S528-D531 WeakPolarHBondContact O-CB 3.48Å; S528-D531 VanDerWaalsContact O-CG 3.26Å; S528-D531 PolarHBondContact O-N 2.87Å; D531-V533 PolarHBondContact O-N 2.74Å; D531-S571 WeakPolarHBondContact O-CA 3.34Å; D531-I572 HydrophobicContact CB-CD1 4.38Å; D531-I572 PolarHBondContact O-N 3.26Å | ||
| 532 | S | 84.8 | Confident | 86.7 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 54% | 0.538 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 128 | 178.9 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | G530 | G530-S532 PolarHBondContact O-N 2.75Å |
| 533 | V | 88.6 | Confident | 86.9 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 12% | 0.121 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -57.8 | 175.7 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | V521 V523 D531 F561 V570 I572 I608 | V521-V533 HydrophobicContact CB-CG1 4.39Å; V521-V533 HydrophobicContact CG1-CG1 3.73Å; V523-V533 HydrophobicContact CG1-CB 4.36Å; V523-V533 HydrophobicContact CG1-CG1 3.69Å; V523-V533 HydrophobicContact CG1-CG2 4.05Å; D531-V533 PolarHBondContact O-N 2.74Å; V533-F561 HydrophobicContact CG2-CD1 3.91Å; V533-F561 HydrophobicContact CG2-CE1 3.8Å; V533-V570 HydrophobicContact CB-CG1 4.44Å; V533-V570 WeakPolarHBondContact CB-O 3.22Å; V533-V570 PolarHBondContact N-O 3.2Å; V533-I572 HydrophobicContact CG2-CG1 3.82Å; V533-I608 HydrophobicContact CG1-CD1 3.83Å; V533-I608 HydrophobicContact CG1-CG1 4.34Å |
| 534 | I | 90.6 | Very high | 86.9 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 16% | 0.159 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 145.8 | 178.7 | -174.6 | 165.1 | 0 | 0 | 0 | 108.1 | Y519 V521 L536 V570 V606 | Y519-I534 HydrophobicContact CD1-CD1 3.9Å; Y519-I534 HydrophobicContact CG-CD1 3.86Å; V521-I534 HydrophobicContact CG2-CB 4.01Å; V521-I534 HydrophobicContact CG2-CD1 3.63Å; V521-I534 HydrophobicContact CG2-CG1 4.36Å; V521-I534 HydrophobicContact CG2-CG2 4.26Å; I534-L536 HydrophobicContact CD1-CD2 4.14Å; I534-L536 HydrophobicContact CG1-CD2 4.34Å; I534-L536 HydrophobicContact CG2-CD2 4.47Å; I534-L536 HydrophobicContact CG2-CG 4.48Å; I534-V570 HydrophobicContact CG2-CB 3.9Å; I534-V570 HydrophobicContact CG2-CG2 4.09Å; I534-V570 PolarHBondContact N-O 3.15Å; I534-V570 WeakPolarHBondContact O-CA 3.37Å; I534-V570 WeakPolarHBondContact O-CB 3.33Å; I534-V570 PolarHBondContact O-N 2.99Å; I534-V606 HydrophobicContact CG2-CG1 4.05Å |
| 535 | Q | 91.6 | Very high | 87.1 | Confident | 117 Ų | 117 | 55.9 Ų | 55.9 | 55% | 0.547 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 114 | 168.6 | -172.5 | 171.8 | -5.5 | 0 | 0 | 108.3 | T567 L569 | Q535-T567 PolarHBondContact NE2-O 2.93Å; Q535-T567 VanDerWaalsContact NE2-O 3.15Å; Q535-L569 HydrophobicContact CB-CD1 3.89Å; Q535-L569 HydrophobicContact CG-CB 4.46Å; Q535-L569 HydrophobicContact CG-CD1 4.29Å |
| 536 | L | 91.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | trans | -84.1 | 136.8 | 175.9 | -62.6 | 173.1 | 0 | 0 | 0 | 109.3 | F514 Y519 I534 I563 G568 V570 V588 V606 | F514-L536 HydrophobicContact CE1-CB 4.1Å; Y519-L536 HydrophobicContact CD2-CD2 3.71Å; Y519-L536 HydrophobicContact CE2-CD2 3.72Å; Y519-L536 HydrophobicContact CG-CD2 4.3Å; I534-L536 HydrophobicContact CD1-CD2 4.14Å; I534-L536 HydrophobicContact CG1-CD2 4.34Å; I534-L536 HydrophobicContact CG2-CD2 4.47Å; I534-L536 HydrophobicContact CG2-CG 4.48Å; L536-I563 HydrophobicContact CD1-CD1 4.17Å; L536-G568 PolarHBondContact N-O 2.79Å; L536-G568 WeakPolarHBondContact O-CA 3.43Å; L536-V570 HydrophobicContact CD1-CG2 3.96Å; L536-V570 HydrophobicContact CG-CG2 4.27Å; L536-V588 HydrophobicContact CD1-CB 3.85Å; L536-V588 HydrophobicContact CD1-CG1 3.72Å; L536-V588 HydrophobicContact CD1-CG2 3.7Å; L536-V606 HydrophobicContact CD1-CG2 3.93Å; L536-V606 HydrophobicContact CD2-CG2 3.89Å; L536-V606 HydrophobicContact CG-CG2 4.42Å | ||
| 537 | T | 90.6 | Very high | 87.9 | Confident | 72 Ų | 72 | 50.2 Ų | 50.2 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | trans | -131.4 | 113.2 | 176 | 54.5 | 0 | 0 | 0 | 0 | 107.9 | P515 | P515-T537 WeakPolarHBondContact CD-O 3.27Š| ||
| 538 | A | 91.7 | Very high | 88.4 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 7% | 0.074 | 34% | 0.337 | C | S | . | . | trans | -91.5 | 154.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | P512 T513 F514 I549 Y551 A590 | P512-A538 HydrophobicContact CB-CB 4.41Å; T513-A538 CarbonylContact O-C 3.6Å; T513-A538 VanDerWaalsContact O-CA 3.22Å; T513-A538 WeakPolarHBondContact O-CA 3.44Å; F514-A538 HydrophobicContact CD1-CB 3.9Å; F514-A538 HydrophobicContact CE1-CB 3.9Å; F514-A538 HydrophobicContact CG-CB 4.27Å; F514-A538 HydrophobicContact CZ-CB 4.28Å; A538-I549 VanDerWaalsContact C-CD1 3.45Å; A538-I549 HydrophobicContact CB-CD1 3.96Å; A538-I549 HydrophobicContact CB-CG2 4.31Å; A538-I549 WeakPolarHBondContact O-CD1 3.49Å; A538-Y551 HydrophobicContact CB-CE1 3.91Å; A538-Y551 PolarHBondContact N-OH 3.23Å; A538-Y551 PolarHBondContact O-OH 3.01Å; A538-A590 HydrophobicContact CB-CB 3.59Å | ||
| 539 | V | 90.5 | Very high | 88.9 | Confident | 97 Ų | 97 | 51.4 Ų | 51.4 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | B | Isolated β-bridge | trans | -121.1 | 134.8 | 177.5 | -173.6 | 0 | 0 | 0 | 0 | 108 | T513 | T513-V539 PolarHBondContact N-O 2.87Å; T513-V539 PolarHBondContact O-N 2.8Å |
| 540 | D | 92.2 | Very high | 89.4 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | trans | -133.2 | 132.9 | 171.7 | -159.6 | -38.3 | 0 | 0 | 0 | 106.7 | N510 P512 D542 I549 | N510-D540 WeakPolarHBondContact CB-OD1 3.4Å; P512-D540 HydrophobicContact CB-CB 4.39Å; P512-D540 WeakPolarHBondContact CD-OD2 3.31Å; P512-D540 HydrophobicContact CG-CB 4.35Å; P512-D540 WeakPolarHBondContact CG-OD2 3.46Å; D540-D542 PolarHBondContact OD1-N 2.82Å; D540-I549 HydrophobicContact CB-CD1 3.96Å; D540-I549 HydrophobicContact CB-CG1 4.04Å | ||
| 541 | A | 89.7 | Confident | 90 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 41% | 0.405 | 29% | 0.286 | S | S | . | . | trans | -93.9 | -11.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R476 E477 N510 | R476-A541 PolarHBondContact NH2-O 2.75Å; E477-A541 HydrophobicContact CG-CB 3.61Å; N510-A541 HydrophobicContact CB-CB 4.45Å | ||
| 542 | D | 92.2 | Very high | 90.5 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -66.7 | 159.9 | -178.6 | -62.5 | -20.6 | 0 | 0 | 0 | 112.4 | N508 D509 N510 D540 N546 G547 | N508-D542 VanDerWaalsContact CA-OD2 3.29Å; N508-D542 WeakPolarHBondContact CA-OD2 3.47Å; N508-D542 PolarHBondContact OD1-OD2 2.62Å; N508-D542 VanDerWaalsContact OD1-OD2 3.04Å; D509-D542 PolarHBondContact N-OD2 3.17Å; D509-D542 VanDerWaalsContact N-OD2 3.14Å; N510-D542 VanDerWaalsContact CB-OD1 3.28Å; N510-D542 WeakPolarHBondContact CB-OD1 3.27Å; N510-D542 PolarHBondContact N-OD1 3.37Å; N510-D542 VanDerWaalsContact N-OD1 3.16Å; N510-D542 PolarHBondContact N-OD2 3.25Å; N510-D542 VanDerWaalsContact N-OD2 3.16Å; N510-D542 PolarHBondContact ND2-OD1 2.86Å; D540-D542 PolarHBondContact OD1-N 2.82Å; D542-N546 HydrophobicContact CB-CB 3.48Å; D542-N546 VanDerWaalsContact CB-CB 3.48Å; D542-G547 VanDerWaalsContact O-CA 3.25Å; D542-G547 WeakPolarHBondContact O-CA 3.35Å; D542-G547 PolarHBondContact O-N 3.48Å |
| 543 | E | 88.1 | Confident | 90.9 | Very high | 97 Ų | 97 | 48.1 Ų | 48.1 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -85.8 | 142.5 | -177.1 | -161 | 176.2 | 169.9 | 0 | 0 | 112.7 | R476 D506 S545 N546 | R476-E543 IonicContact CZ-OE2 3.51Å; R476-E543 IonicContact NH1-OE2 3.62Å; R476-E543 PolarHBondContact NH1-OE2 3.22Å; D506-E543 HydrophobicContact CB-CB 3.95Å; D506-E543 VanDerWaalsContact CG-N 3.33Å; D506-E543 VanDerWaalsContact OD1-CB 3.31Å; D506-E543 WeakPolarHBondContact OD1-CB 3.25Å; D506-E543 PolarHBondContact OD1-N 3.05Å; D506-E543 PolarHBondContact OD2-N 3.01Å; E543-S545 PolarHBondContact O-N 3Å; E543-N546 WeakPolarHBondContact O-CB 3.39Å; E543-N546 PolarHBondContact O-N 3.3Å |
| 544 | G | 87.1 | Confident | 91 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | -128.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113 | N546 G547 E548 | G544-N546 PolarHBondContact O-N 3.3Å; G544-G547 PolarHBondContact O-N 3.27Å; G544-E548 WeakPolarHBondContact O-CB 3.33Å; G544-E548 PolarHBondContact O-N 2.97Å |
| 545 | S | 87.6 | Confident | 91 | Very high | 62 Ų | 62 | 54 Ų | 54 | 43% | 0.434 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -20.3 | -178.1 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | E543 N593 A594 | E543-S545 PolarHBondContact O-N 3Å; S545-N593 CarbonylContact O-C 3.46Å; S545-N593 WeakPolarHBondContact O-CA 3.46Å; S545-N593 WeakPolarHBondContact O-CB 2.99Å; S545-N593 PolarHBondContact O-N 3.45Å; S545-N593 VanDerWaalsContact O-N 3.15Å; S545-A594 PolarHBondContact O-N 2.8Å |
| 546 | N | 88.9 | Confident | 90.7 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -39.6 | 177.3 | -66.2 | -10.5 | 0 | 0 | 0 | 110.2 | D506 N508 D542 E543 G544 D592 | D506-N546 PolarHBondContact OD2-ND2 2.63Å; N508-N546 HydrophobicContact CB-CB 4.09Å; N508-N546 WeakPolarHBondContact OD1-CA 3.11Å; N508-N546 WeakPolarHBondContact OD1-CB 3.2Å; N508-N546 PolarHBondContact OD1-O 2.84Å; D542-N546 HydrophobicContact CB-CB 3.48Å; D542-N546 VanDerWaalsContact CB-CB 3.48Å; E543-N546 WeakPolarHBondContact O-CB 3.39Å; E543-N546 PolarHBondContact O-N 3.3Å; G544-N546 PolarHBondContact O-N 3.3Å; N546-D592 WeakPolarHBondContact O-CB 3.26Å |
| 547 | G | 88.3 | Confident | 89.8 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.2 | 174 | 0 | 0 | 0 | 0 | 0 | 116.2 | D542 G544 I549 | D542-G547 VanDerWaalsContact O-CA 3.25Å; D542-G547 WeakPolarHBondContact O-CA 3.35Å; D542-G547 PolarHBondContact O-N 3.48Å; G544-G547 PolarHBondContact O-N 3.27Å; G547-I549 WeakPolarHBondContact O-CG1 3.45Å; G547-I549 PolarHBondContact O-N 2.87Å |
| 548 | E | 90.6 | Very high | 89.3 | Confident | 109 Ų | 109 | 54.4 Ų | 54.4 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | trans | -79.5 | 112 | -177.4 | -169 | -173.3 | -163.4 | 0 | 0 | 111.6 | G544 D592 N593 | G544-E548 WeakPolarHBondContact O-CB 3.33Å; G544-E548 PolarHBondContact O-N 2.97Å; E548-D592 CarbonylContact O-C 3.49Å; E548-D592 WeakPolarHBondContact O-CA 3.45Å; E548-N593 HydrophobicContact CB-CB 4.31Å; E548-N593 WeakPolarHBondContact CG-ND2 3.44Å; E548-N593 PolarHBondContact O-N 3.04Å; E548-N593 PolarHBondContact O-ND2 3.09Å; E548-N593 PolarHBondContact OE2-ND2 2.93Å | ||
| 549 | I | 92.4 | Very high | 88.9 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 14% | 0.138 | 34% | 0.341 | C | S | . | . | trans | -92.4 | 141.2 | -170.9 | -52.9 | 172.9 | 0 | 0 | 0 | 112.3 | P512 A538 D540 G547 Y551 A590 | P512-I549 HydrophobicContact CB-CD1 4.14Å; P512-I549 HydrophobicContact CB-CG1 4.09Å; P512-I549 HydrophobicContact CB-CG2 4.24Å; P512-I549 HydrophobicContact CG-CG1 4.42Å; A538-I549 VanDerWaalsContact C-CD1 3.45Å; A538-I549 HydrophobicContact CB-CD1 3.96Å; A538-I549 HydrophobicContact CB-CG2 4.31Å; A538-I549 WeakPolarHBondContact O-CD1 3.49Å; D540-I549 HydrophobicContact CB-CD1 3.96Å; D540-I549 HydrophobicContact CB-CG1 4.04Å; G547-I549 WeakPolarHBondContact O-CG1 3.45Å; G547-I549 PolarHBondContact O-N 2.87Å; I549-Y551 HydrophobicContact CG2-CE1 4.04Å; I549-Y551 HydrophobicContact CG2-CE2 4.07Å; I549-A590 HydrophobicContact CG2-CB 3.74Å | ||
| 550 | S | 94.1 | Very high | 88.8 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 134.2 | 169.8 | 65.3 | 0 | 0 | 0 | 0 | 112.7 | K565 A590 S591 | S550-K565 WeakPolarHBondContact CA-O 3.42Å; S550-K565 VanDerWaalsContact CB-CE 3.47Å; S550-A590 WeakPolarHBondContact O-CA 3.27Å; S550-S591 PolarHBondContact N-O 3.21Å; S550-S591 PolarHBondContact O-N 2.91Å; S550-S591 PolarHBondContact OG-O 3.39Å; S550-S591 VanDerWaalsContact OG-O 3.11Å |
| 551 | Y | 94.9 | Very high | 88.8 | Confident | 20 Ų | 20 | 53.3 Ų | 53.3 | 8% | 0.078 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 142.1 | -176.4 | -57.3 | -85 | 0 | 0 | 0 | 113 | F514 A538 I549 I563 K565 G568 Q589 A590 | F514-Y551 HydrophobicContact CE1-CD1 4.07Å; F514-Y551 AromaticContact CE1-CE1 3.74Å; F514-Y551 HydrophobicContact CE1-CE1 3.74Å; F514-Y551 HydrophobicContact CZ-CD1 4.09Å; F514-Y551 HydrophobicContact CZ-CE1 4.1Å; A538-Y551 HydrophobicContact CB-CE1 3.91Å; A538-Y551 PolarHBondContact N-OH 3.23Å; A538-Y551 PolarHBondContact O-OH 3.01Å; I549-Y551 HydrophobicContact CG2-CE1 4.04Å; I549-Y551 HydrophobicContact CG2-CE2 4.07Å; Y551-I563 HydrophobicContact CG-CD1 4.46Å; Y551-K565 WeakPolarHBondContact CD2-O 3.42Å; Y551-K565 PolarHBondContact N-O 2.88Å; Y551-K565 WeakPolarHBondContact O-CA 3.12Å; Y551-G568 VanDerWaalsContact CD2-CA 3.49Å; Y551-Q589 CarbonylContact C-O 3.6Å; Y551-Q589 WeakPolarHBondContact CA-O 3.49Å; Y551-A590 HydrophobicContact CD1-CB 4.03Å; Y551-A590 HydrophobicContact CE1-CB 3.96Å |
| 552 | E | 94.1 | Very high | 88.9 | Confident | 120 Ų | 120 | 54.2 Ų | 54.2 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147 | 135.7 | 176.7 | -177.3 | 172.1 | -173 | 0 | 0 | 111.4 | L554 V588 Q589 | E552-L554 PolarHBondContact O-N 2.74Å; E552-V588 CarbonylContact O-C 3.6Å; E552-V588 WeakPolarHBondContact O-CA 3.38Å; E552-Q589 PolarHBondContact N-O 3.4Å; E552-Q589 PolarHBondContact O-N 2.97Å |
| 553 | I | 93 | Very high | 88.9 | Confident | 35 Ų | 35 | 55.2 Ų | 55.2 | 18% | 0.179 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 112.7 | 168.1 | -67.6 | 158.6 | 0 | 0 | 0 | 107.6 | I563 L586 V588 | I553-I563 HydrophobicContact CB-CG2 4.28Å; I553-I563 HydrophobicContact CD1-CB 3.66Å; I553-I563 HydrophobicContact CD1-CG2 3.78Å; I553-I563 HydrophobicContact CG1-CB 3.82Å; I553-I563 HydrophobicContact CG1-CG2 3.6Å; I553-L586 HydrophobicContact CD1-CD2 3.9Å; I553-L586 HydrophobicContact CG1-CD2 4.14Å; I553-L586 HydrophobicContact CG2-CD2 3.79Å; I553-V588 HydrophobicContact CG1-CG2 4Å |
| 554 | L | 91.3 | Very high | 89.2 | Confident | 75 Ų | 75 | 54.1 Ų | 54.1 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -49.7 | 178.2 | -64.3 | 179.6 | 0 | 0 | 0 | 111.7 | E552 T587 Q589 I603 | E552-L554 PolarHBondContact O-N 2.74Å; L554-T587 HydrophobicContact CD1-CG2 4.38Å; L554-T587 PolarHBondContact N-O 3.48Å; L554-Q589 HydrophobicContact CD1-CB 3.94Å; L554-Q589 HydrophobicContact CD2-CB 4.18Å; L554-Q589 HydrophobicContact CG-CB 3.92Å; L554-I603 HydrophobicContact CD1-CG2 3.99Å |
| 555 | V | 89.8 | Confident | 89.4 | Confident | 99 Ų | 99 | 57.7 Ų | 57.7 | 60% | 0.6 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 161.3 | -173.5 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | L586 T587 | V555-L586 WeakPolarHBondContact O-CA 3.37Å; V555-T587 PolarHBondContact O-N 2.92Å |
| 556 | G | 85.7 | Confident | 89.5 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 102.1 | -19.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K558 A585 | G556-K558 VanDerWaalsContact C-N 3.33Å; G556-K558 PolarHBondContact O-N 3.37Å; G556-A585 VanDerWaalsContact CA-O 3.3Å; G556-A585 WeakPolarHBondContact CA-O 3.35Å |
| 557 | G | 73.5 | Confident | 89.5 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 6% | 0.062 | 34% | 0.343 | C | S | . | . | trans | -71.8 | -18.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G559 D560 | G557-G559 PolarHBondContact O-N 2.77Å; G557-D560 PolarHBondContact O-N 3.23Å | ||
| 558 | K | 79.5 | Confident | 89.6 | Confident | 166 Ų | 166 | 60.8 Ų | 60.8 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 10.2 | -172.7 | -68.4 | -179.4 | -176.7 | 166.5 | 0 | 115.8 | G556 Y584 | G556-K558 VanDerWaalsContact C-N 3.33Å; G556-K558 PolarHBondContact O-N 3.37Å; K558-Y584 HydrophobicContact CD-CE1 4.44Å |
| 559 | G | 83.4 | Confident | 89.6 | Confident | 57 Ų | 57 | 58.3 Ų | 58.3 | 59% | 0.588 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | -4.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G557 F561 A573 | G557-G559 PolarHBondContact O-N 2.77Å; G559-F561 VanDerWaalsContact C-N 3.35Å; G559-A573 WeakPolarHBondContact O-CB 3.24Å |
| 560 | D | 88 | Confident | 89.6 | Confident | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.203 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -16.6 | -175.5 | -65.9 | -16.9 | 0 | 0 | 0 | 113.2 | G557 A573 V576 Y584 | G557-D560 PolarHBondContact O-N 3.23Å; D560-A573 WeakPolarHBondContact O-CB 3.14Å; D560-A573 PolarHBondContact O-N 2.91Å; D560-V576 HydrophobicContact CB-CG1 3.97Å; D560-V576 HydrophobicContact CB-CG2 4.35Å; D560-Y584 HydrophobicContact CB-CE1 3.97Å; D560-Y584 WeakPolarHBondContact OD2-CE1 3.35Å; D560-Y584 VanDerWaalsContact OD2-CZ 3.25Å; D560-Y584 PolarHBondContact OD2-OH 2.86Å |
| 561 | F | 92.1 | Very high | 89.4 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.9 | 178.5 | -55.8 | -79.9 | 0 | 0 | 0 | 110.9 | V533 G559 V570 S571 I572 L578 Y584 L586 I608 | V533-F561 HydrophobicContact CG2-CD1 3.91Å; V533-F561 HydrophobicContact CG2-CE1 3.8Å; G559-F561 VanDerWaalsContact C-N 3.35Å; F561-V570 HydrophobicContact CB-CG1 4.07Å; F561-V570 HydrophobicContact CD1-CG1 4.48Å; F561-S571 WeakPolarHBondContact CA-O 3.31Å; F561-I572 HydrophobicContact CE1-CG1 4.26Å; F561-L578 HydrophobicContact CZ-CD2 4.28Å; F561-Y584 HydrophobicContact CD2-CD1 4.29Å; F561-Y584 HydrophobicContact CD2-CG 4.41Å; F561-Y584 AromaticContact CE2-CD1 3.67Å; F561-Y584 HydrophobicContact CE2-CD1 3.67Å; F561-Y584 AromaticContact CE2-CD2 3.61Å; F561-Y584 HydrophobicContact CE2-CD2 3.61Å; F561-Y584 AromaticContact CE2-CE1 3.85Å; F561-Y584 HydrophobicContact CE2-CE1 3.85Å; F561-Y584 AromaticContact CE2-CE2 3.81Å; F561-Y584 HydrophobicContact CE2-CE2 3.81Å; F561-Y584 AromaticContact CE2-CG 3.54Å; F561-Y584 HydrophobicContact CE2-CG 3.54Å; F561-Y584 AromaticContact CE2-CZ 3.92Å; F561-Y584 AromaticContact CZ-CD2 3.98Å; F561-Y584 HydrophobicContact CZ-CD2 3.98Å; F561-Y584 HydrophobicContact CZ-CE2 4.05Å; F561-Y584 HydrophobicContact CZ-CG 4.35Å; F561-L586 HydrophobicContact CB-CD1 4.49Å; F561-L586 HydrophobicContact CB-CD2 4.07Å; F561-L586 HydrophobicContact CD2-CD1 4.06Å; F561-L586 HydrophobicContact CD2-CD2 4.33Å; F561-L586 HydrophobicContact CG-CD1 4.26Å; F561-I608 HydrophobicContact CD1-CD1 4.06Å; F561-I608 HydrophobicContact CD2-CD1 4.12Å; F561-I608 HydrophobicContact CE1-CD1 3.73Å; F561-I608 HydrophobicContact CE2-CD1 3.8Å; F561-I608 HydrophobicContact CG-CD1 4.25Å; F561-I608 HydrophobicContact CZ-CD1 3.58Å; F561-I608 HydrophobicContact CZ-CG2 4.14Å |
| 562 | V | 91.8 | Very high | 89.2 | Confident | 68 Ų | 68 | 56.3 Ų | 56.3 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.4 | 173.9 | -68.4 | 0 | 0 | 0 | 0 | 109.8 | V570 S571 A573 | V562-V570 WeakPolarHBondContact O-CA 3.33Å; V562-S571 WeakPolarHBondContact CG2-OG 3.41Å; V562-S571 PolarHBondContact N-O 3.28Å; V562-S571 PolarHBondContact O-N 3.13Å; V562-A573 HydrophobicContact CG1-CB 4.03Å |
| 563 | I | 93.6 | Very high | 88.9 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.4 | 174.4 | -166 | 164.3 | 0 | 0 | 0 | 110.4 | L536 Y551 I553 L569 V570 V588 | L536-I563 HydrophobicContact CD1-CD1 4.17Å; Y551-I563 HydrophobicContact CG-CD1 4.46Å; I553-I563 HydrophobicContact CB-CG2 4.28Å; I553-I563 HydrophobicContact CD1-CB 3.66Å; I553-I563 HydrophobicContact CD1-CG2 3.78Å; I553-I563 HydrophobicContact CG1-CB 3.82Å; I553-I563 HydrophobicContact CG1-CG2 3.6Å; I563-L569 WeakPolarHBondContact CA-O 3.21Å; I563-V570 HydrophobicContact CB-CG2 4.35Å; I563-V570 HydrophobicContact CD1-CG2 3.88Å; I563-V570 HydrophobicContact CG1-CG2 4.03Å; I563-V588 HydrophobicContact CD1-CG1 3.53Å; I563-V588 HydrophobicContact CD1-CG2 4.47Å |
| 564 | N | 93.2 | Very high | 88.4 | Confident | 74 Ų | 74 | 54.7 Ų | 54.7 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | trans | -81 | 124.4 | 170.2 | -178.4 | -51.6 | 0 | 0 | 0 | 110.3 | T566 T567 G568 L569 | N564-T566 VanDerWaalsContact C-N 3.27Å; N564-T566 PolarHBondContact O-N 3.21Å; N564-T566 PolarHBondContact OD1-N 3.26Å; N564-T566 PolarHBondContact OD1-OG1 3.31Å; N564-T566 VanDerWaalsContact OD1-OG1 3.13Å; N564-T567 WeakPolarHBondContact CB-OG1 3.45Å; N564-T567 PolarHBondContact ND2-OG1 3.49Å; N564-T567 PolarHBondContact OD1-N 3.24Å; N564-T567 VanDerWaalsContact OD1-N 3.15Å; N564-T567 PolarHBondContact OD1-OG1 3.15Å; N564-G568 PolarHBondContact O-N 2.64Å; N564-L569 HydrophobicContact CB-CB 4.43Å; N564-L569 PolarHBondContact N-O 2.98Å | ||
| 565 | K | 92.1 | Very high | 87.9 | Confident | 132 Ų | 132 | 54.7 Ų | 54.7 | 57% | 0.574 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -31.2 | -173.8 | -174.3 | 175.1 | 179.1 | -178.6 | 0 | 114.4 | S550 Y551 | S550-K565 WeakPolarHBondContact CA-O 3.42Å; S550-K565 VanDerWaalsContact CB-CE 3.47Å; Y551-K565 WeakPolarHBondContact CD2-O 3.42Å; Y551-K565 PolarHBondContact N-O 2.88Å; Y551-K565 WeakPolarHBondContact O-CA 3.12Å |
| 566 | T | 89.2 | Confident | 87.6 | Confident | 106 Ų | 106 | 51.1 Ų | 51.1 | 65% | 0.65 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -32.7 | -176.3 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | N564 | N564-T566 VanDerWaalsContact C-N 3.27Å; N564-T566 PolarHBondContact O-N 3.21Å; N564-T566 PolarHBondContact OD1-N 3.26Å; N564-T566 PolarHBondContact OD1-OG1 3.31Å; N564-T566 VanDerWaalsContact OD1-OG1 3.13Å |
| 567 | T | 88.6 | Confident | 87.3 | Confident | 59 Ų | 59 | 58.4 Ų | 58.4 | 36% | 0.362 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -12.2 | -175.7 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | Q535 N564 L569 | Q535-T567 PolarHBondContact NE2-O 2.93Å; Q535-T567 VanDerWaalsContact NE2-O 3.15Å; N564-T567 WeakPolarHBondContact CB-OG1 3.45Å; N564-T567 PolarHBondContact ND2-OG1 3.49Å; N564-T567 PolarHBondContact OD1-N 3.24Å; N564-T567 VanDerWaalsContact OD1-N 3.15Å; N564-T567 PolarHBondContact OD1-OG1 3.15Å; T567-L569 PolarHBondContact O-N 2.89Å; T567-L569 VanDerWaalsContact O-N 3.16Å |
| 568 | G | 90 | Very high | 87.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | 67.1 | 8.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L536 Y551 N564 V570 | L536-G568 PolarHBondContact N-O 2.79Å; L536-G568 WeakPolarHBondContact O-CA 3.43Å; Y551-G568 VanDerWaalsContact CD2-CA 3.49Å; N564-G568 PolarHBondContact O-N 2.64Å; G568-V570 PolarHBondContact O-N 3.47Å | ||
| 569 | L | 91.5 | Very high | 87.8 | Confident | 57 Ų | 57 | 56.2 Ų | 56.2 | 30% | 0.298 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 116.4 | -179.7 | -175.1 | 68.1 | 0 | 0 | 0 | 110.9 | Q535 I563 N564 T567 | Q535-L569 HydrophobicContact CB-CD1 3.89Å; Q535-L569 HydrophobicContact CG-CB 4.46Å; Q535-L569 HydrophobicContact CG-CD1 4.29Å; I563-L569 WeakPolarHBondContact CA-O 3.21Å; N564-L569 HydrophobicContact CB-CB 4.43Å; N564-L569 PolarHBondContact N-O 2.98Å; T567-L569 PolarHBondContact O-N 2.89Å; T567-L569 VanDerWaalsContact O-N 3.16Å |
| 570 | V | 91.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.1 | 170.2 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | V533 I534 L536 F561 V562 I563 G568 | V533-V570 HydrophobicContact CB-CG1 4.44Å; V533-V570 WeakPolarHBondContact CB-O 3.22Å; V533-V570 PolarHBondContact N-O 3.2Å; I534-V570 HydrophobicContact CG2-CB 3.9Å; I534-V570 HydrophobicContact CG2-CG2 4.09Å; I534-V570 PolarHBondContact N-O 3.15Å; I534-V570 WeakPolarHBondContact O-CA 3.37Å; I534-V570 WeakPolarHBondContact O-CB 3.33Å; I534-V570 PolarHBondContact O-N 2.99Å; L536-V570 HydrophobicContact CD1-CG2 3.96Å; L536-V570 HydrophobicContact CG-CG2 4.27Å; F561-V570 HydrophobicContact CB-CG1 4.07Å; F561-V570 HydrophobicContact CD1-CG1 4.48Å; V562-V570 WeakPolarHBondContact O-CA 3.33Å; I563-V570 HydrophobicContact CB-CG2 4.35Å; I563-V570 HydrophobicContact CD1-CG2 3.88Å; I563-V570 HydrophobicContact CG1-CG2 4.03Å; G568-V570 PolarHBondContact O-N 3.47Å |
| 571 | S | 91.2 | Very high | 87.2 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 15% | 0.154 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 158 | -178.6 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | D531 F561 V562 A573 | D531-S571 WeakPolarHBondContact O-CA 3.34Å; F561-S571 WeakPolarHBondContact CA-O 3.31Å; V562-S571 WeakPolarHBondContact CG2-OG 3.41Å; V562-S571 PolarHBondContact N-O 3.28Å; V562-S571 PolarHBondContact O-N 3.13Å; S571-A573 PolarHBondContact O-N 3.31Å |
| 572 | I | 90.2 | Very high | 86.9 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 126.3 | 175.8 | -59 | 169.2 | 0 | 0 | 0 | 108.5 | M527 G530 D531 V533 F561 V576 L578 | M527-I572 HydrophobicContact CB-CD1 3.66Å; M527-I572 HydrophobicContact CE-CD1 4.17Å; G530-I572 PolarHBondContact N-O 3.01Å; D531-I572 HydrophobicContact CB-CD1 4.38Å; D531-I572 PolarHBondContact O-N 3.26Å; V533-I572 HydrophobicContact CG2-CG1 3.82Å; F561-I572 HydrophobicContact CE1-CG1 4.26Å; I572-V576 HydrophobicContact CG2-CB 4.01Å; I572-V576 HydrophobicContact CG2-CG1 4.33Å; I572-L578 HydrophobicContact CD1-CD1 3.61Å; I572-L578 HydrophobicContact CD1-CG 4.46Å; I572-L578 HydrophobicContact CG1-CD1 4.27Å |
| 573 | A | 87.4 | Confident | 86.8 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 146.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G559 D560 V562 S571 G575 V576 | G559-A573 WeakPolarHBondContact O-CB 3.24Å; D560-A573 WeakPolarHBondContact O-CB 3.14Å; D560-A573 PolarHBondContact O-N 2.91Å; V562-A573 HydrophobicContact CG1-CB 4.03Å; S571-A573 PolarHBondContact O-N 3.31Å; A573-G575 PolarHBondContact O-N 3.28Å; A573-V576 HydrophobicContact CB-CG2 3.87Å; A573-V576 WeakPolarHBondContact O-CB 3.43Å; A573-V576 VanDerWaalsContact O-CG2 3.28Å; A573-V576 WeakPolarHBondContact O-CG2 3.21Å; A573-V576 PolarHBondContact O-N 3.24Å |
| 574 | P | 83 | Confident | 86.7 | Confident | 114 Ų | 114 | 61.4 Ų | 61.4 | 74% | 0.74 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 129.1 | -179.7 | -24.7 | 33.8 | 0 | 0 | 0 | 112.7 | ||
| 575 | G | 81.1 | Confident | 86.6 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 77% | 0.773 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 9.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A573 | A573-G575 PolarHBondContact O-N 3.28Š|
| 576 | V | 82.7 | Confident | 86.7 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | trans | -89.2 | 136.1 | 177 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | D560 I572 A573 L578 | D560-V576 HydrophobicContact CB-CG1 3.97Å; D560-V576 HydrophobicContact CB-CG2 4.35Å; I572-V576 HydrophobicContact CG2-CB 4.01Å; I572-V576 HydrophobicContact CG2-CG1 4.33Å; A573-V576 HydrophobicContact CB-CG2 3.87Å; A573-V576 WeakPolarHBondContact O-CB 3.43Å; A573-V576 VanDerWaalsContact O-CG2 3.28Å; A573-V576 WeakPolarHBondContact O-CG2 3.21Å; A573-V576 PolarHBondContact O-N 3.24Å; V576-L578 HydrophobicContact CG1-CD2 4.21Å | ||
| 577 | E | 80.3 | Confident | 86.9 | Confident | 181 Ų | 181 | 50.4 Ų | 50.4 | 85% | 0.846 | 32% | 0.315 | S | S | * | . | trans | -109.8 | 120.7 | 168.1 | -71.7 | -176.2 | 173.3 | 0 | 0 | 109.3 | ||||
| 578 | L | 82 | Confident | 87.1 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | trans | -79.5 | 134.2 | -179.1 | -63.1 | 177.1 | 0 | 0 | 0 | 111 | V523 F561 I572 V576 V610 | V523-L578 HydrophobicContact CB-CD1 4.18Å; V523-L578 HydrophobicContact CG2-CD1 3.89Å; F561-L578 HydrophobicContact CZ-CD2 4.28Å; I572-L578 HydrophobicContact CD1-CD1 3.61Å; I572-L578 HydrophobicContact CD1-CG 4.46Å; I572-L578 HydrophobicContact CG1-CD1 4.27Å; V576-L578 HydrophobicContact CG1-CD2 4.21Å; L578-V610 HydrophobicContact CB-CG1 3.94Å; L578-V610 HydrophobicContact CB-CG2 4.45Å | ||
| 579 | I | 81 | Confident | 87.3 | Confident | 105 Ų | 105 | 49.5 Ų | 49.5 | 54% | 0.538 | 31% | 0.307 | S | S | . | . | trans | -108.6 | 125.2 | -177.2 | -59.8 | 169.2 | 0 | 0 | 0 | 109.2 | G581 Q582 V610 | I579-G581 PolarHBondContact O-N 3.02Å; I579-Q582 HydrophobicContact CB-CG 4.19Å; I579-Q582 WeakPolarHBondContact O-CB 3.44Å; I579-Q582 PolarHBondContact O-N 2.92Å; I579-Q582 VanDerWaalsContact O-N 3.1Å; I579-V610 WeakPolarHBondContact O-CB 3.06Å | ||
| 580 | V | 77.6 | Confident | 87.5 | Confident | 84 Ų | 84 | 46.8 Ų | 46.8 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 130.6 | 178.5 | -174 | 0 | 0 | 0 | 0 | 110.8 | T525 | T525-V580 HydrophobicContact CG2-CB 4.29Å; T525-V580 HydrophobicContact CG2-CG2 3.35Å |
| 581 | G | 81.1 | Confident | 87.6 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 57% | 0.567 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 0.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | I579 V610 | I579-G581 PolarHBondContact O-N 3.02Å; G581-V610 PolarHBondContact N-O 3.36Å |
| 582 | Q | 86.7 | Confident | 87.7 | Confident | 64 Ų | 64 | 46.4 Ų | 46.4 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | trans | -72.5 | 147.5 | 165.6 | -79 | -148.8 | 36.2 | 0 | 0 | 111.6 | I579 Y584 V610 | I579-Q582 HydrophobicContact CB-CG 4.19Å; I579-Q582 WeakPolarHBondContact O-CB 3.44Å; I579-Q582 PolarHBondContact O-N 2.92Å; I579-Q582 VanDerWaalsContact O-N 3.1Å; Q582-Y584 HydrophobicContact CB-CE2 4.19Å; Q582-Y584 PolarHBondContact OE1-OH 2.84Å; Q582-V610 HydrophobicContact CB-CG2 4.21Å; Q582-V610 WeakPolarHBondContact O-CG2 3.35Å; Q582-V610 PolarHBondContact O-N 2.85Å; Q582-V610 VanDerWaalsContact O-N 3.09Å | ||
| 583 | T | 89.2 | Confident | 87.8 | Confident | 96 Ų | 96 | 48.9 Ų | 48.9 | 59% | 0.589 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.2 | 177.6 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | I608 E609 | T583-I608 CarbonylContact C-O 3.54Å; T583-I608 WeakPolarHBondContact CA-O 3.43Å; T583-E609 HydrophobicContact CG2-CB 4.48Å; T583-E609 HydrophobicContact CG2-CG 4.38Å |
| 584 | Y | 90.6 | Very high | 87.8 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 154.2 | 177 | -56.6 | -99.1 | 0 | 0 | 0 | 110.9 | K558 D560 F561 Q582 Y607 I608 V610 | K558-Y584 HydrophobicContact CD-CE1 4.44Å; D560-Y584 HydrophobicContact CB-CE1 3.97Å; D560-Y584 WeakPolarHBondContact OD2-CE1 3.35Å; D560-Y584 VanDerWaalsContact OD2-CZ 3.25Å; D560-Y584 PolarHBondContact OD2-OH 2.86Å; F561-Y584 HydrophobicContact CD2-CD1 4.29Å; F561-Y584 HydrophobicContact CD2-CG 4.41Å; F561-Y584 AromaticContact CE2-CD1 3.67Å; F561-Y584 HydrophobicContact CE2-CD1 3.67Å; F561-Y584 AromaticContact CE2-CD2 3.61Å; F561-Y584 HydrophobicContact CE2-CD2 3.61Å; F561-Y584 AromaticContact CE2-CE1 3.85Å; F561-Y584 HydrophobicContact CE2-CE1 3.85Å; F561-Y584 AromaticContact CE2-CE2 3.81Å; F561-Y584 HydrophobicContact CE2-CE2 3.81Å; F561-Y584 AromaticContact CE2-CG 3.54Å; F561-Y584 HydrophobicContact CE2-CG 3.54Å; F561-Y584 AromaticContact CE2-CZ 3.92Å; F561-Y584 AromaticContact CZ-CD2 3.98Å; F561-Y584 HydrophobicContact CZ-CD2 3.98Å; F561-Y584 HydrophobicContact CZ-CE2 4.05Å; F561-Y584 HydrophobicContact CZ-CG 4.35Å; Q582-Y584 HydrophobicContact CB-CE2 4.19Å; Q582-Y584 PolarHBondContact OE1-OH 2.84Å; Y584-Y607 CarbonylContact O-C 3.6Å; Y584-Y607 VanDerWaalsContact O-CA 3.3Å; Y584-Y607 WeakPolarHBondContact O-CA 3.26Å; Y584-I608 HydrophobicContact CD2-CB 4.32Å; Y584-I608 HydrophobicContact CD2-CG2 4.44Å; Y584-I608 PolarHBondContact N-O 2.85Å; Y584-I608 PolarHBondContact O-N 3.15Å; Y584-V610 HydrophobicContact CE2-CG2 4.31Å |
| 585 | A | 91.7 | Very high | 88 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 35% | 0.347 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 91 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | G556 T605 V606 Y607 | G556-A585 VanDerWaalsContact CA-O 3.3Å; G556-A585 WeakPolarHBondContact CA-O 3.35Å; A585-T605 HydrophobicContact CB-CG2 4.35Å; A585-V606 CarbonylContact C-O 3.54Å; A585-V606 WeakPolarHBondContact CA-O 3.4Å; A585-Y607 HydrophobicContact CB-CD1 3.8Å; A585-Y607 HydrophobicContact CB-CE1 3.74Å |
| 586 | L | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 123.3 | -178.9 | -68.2 | 133.3 | 0 | 0 | 0 | 110.2 | I553 V555 F561 V588 T605 V606 I608 | I553-L586 HydrophobicContact CD1-CD2 3.9Å; I553-L586 HydrophobicContact CG1-CD2 4.14Å; I553-L586 HydrophobicContact CG2-CD2 3.79Å; V555-L586 WeakPolarHBondContact O-CA 3.37Å; F561-L586 HydrophobicContact CB-CD1 4.49Å; F561-L586 HydrophobicContact CB-CD2 4.07Å; F561-L586 HydrophobicContact CD2-CD1 4.06Å; F561-L586 HydrophobicContact CD2-CD2 4.33Å; F561-L586 HydrophobicContact CG-CD1 4.26Å; L586-V588 HydrophobicContact CB-CG2 4.37Å; L586-T605 CarbonylContact O-C 3.29Å; L586-T605 VanDerWaalsContact O-CA 3.24Å; L586-T605 WeakPolarHBondContact O-CA 3.45Å; L586-V606 HydrophobicContact CB-CB 4.22Å; L586-V606 HydrophobicContact CD1-CB 4.3Å; L586-V606 PolarHBondContact N-O 2.76Å; L586-V606 PolarHBondContact O-N 2.55Å; L586-I608 HydrophobicContact CD1-CD1 3.24Å; L586-I608 HydrophobicContact CD1-CG1 4.04Å |
| 587 | T | 93.6 | Very high | 88.3 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 24% | 0.239 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114.6 | 168.6 | -50.5 | 0 | 0 | 0 | 0 | 108.7 | L554 V555 I603 C604 | L554-T587 HydrophobicContact CD1-CG2 4.38Å; L554-T587 PolarHBondContact N-O 3.48Å; V555-T587 PolarHBondContact O-N 2.92Å; T587-I603 HydrophobicContact CG2-CB 4.41Å; T587-C604 WeakPolarHBondContact CA-O 3.01Å |
| 588 | V | 94.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134.9 | -177.8 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | F514 L536 E552 I553 I563 L586 I603 C604 | F514-V588 HydrophobicContact CZ-CG1 4.34Å; L536-V588 HydrophobicContact CD1-CB 3.85Å; L536-V588 HydrophobicContact CD1-CG1 3.72Å; L536-V588 HydrophobicContact CD1-CG2 3.7Å; E552-V588 CarbonylContact O-C 3.6Å; E552-V588 WeakPolarHBondContact O-CA 3.38Å; I553-V588 HydrophobicContact CG1-CG2 4Å; I563-V588 HydrophobicContact CD1-CG1 3.53Å; I563-V588 HydrophobicContact CD1-CG2 4.47Å; L586-V588 HydrophobicContact CB-CG2 4.37Å; V588-I603 CarbonylContact O-C 3.48Å; V588-I603 WeakPolarHBondContact O-CA 3.42Å; V588-C604 PolarHBondContact N-O 2.82Å; V588-C604 PolarHBondContact O-N 2.83Å |
| 589 | Q | 94.2 | Very high | 88.9 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 136.8 | 174.3 | -176.1 | 177.3 | -42.4 | 0 | 0 | 110.6 | Y551 E552 L554 H601 S602 I603 | Y551-Q589 CarbonylContact C-O 3.6Å; Y551-Q589 WeakPolarHBondContact CA-O 3.49Å; E552-Q589 PolarHBondContact N-O 3.4Å; E552-Q589 PolarHBondContact O-N 2.97Å; L554-Q589 HydrophobicContact CD1-CB 3.94Å; L554-Q589 HydrophobicContact CD2-CB 4.18Å; L554-Q589 HydrophobicContact CG-CB 3.92Å; Q589-H601 HydrophobicContact CG-CB 4.02Å; Q589-S602 VanDerWaalsContact CA-O 3.31Å; Q589-S602 WeakPolarHBondContact CA-O 3.24Å; Q589-I603 HydrophobicContact CB-CG2 3.96Å; Q589-I603 HydrophobicContact CG-CG2 4.12Å |
| 590 | A | 95 | Very high | 89.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | P512 F514 A538 I549 S550 Y551 H601 S602 | P512-A590 HydrophobicContact CB-CB 4.07Å; F514-A590 HydrophobicContact CE1-CB 4.18Å; F514-A590 HydrophobicContact CE2-CB 3.58Å; F514-A590 HydrophobicContact CZ-CB 3.38Å; A538-A590 HydrophobicContact CB-CB 3.59Å; I549-A590 HydrophobicContact CG2-CB 3.74Å; S550-A590 WeakPolarHBondContact O-CA 3.27Å; Y551-A590 HydrophobicContact CD1-CB 4.03Å; Y551-A590 HydrophobicContact CE1-CB 3.96Å; A590-H601 CarbonylContact O-C 3.59Å; A590-H601 WeakPolarHBondContact O-CA 3.34Å; A590-H601 VanDerWaalsContact O-CB 3.26Å; A590-H601 WeakPolarHBondContact O-CB 3.36Å; A590-S602 PolarHBondContact N-O 2.96Å; A590-S602 PolarHBondContact O-N 3.22Å |
| 591 | S | 94.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 54 Ų | 54 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 140.1 | 177.5 | -174.1 | 0 | 0 | 0 | 0 | 110 | S550 R600 | S550-S591 PolarHBondContact N-O 3.21Å; S550-S591 PolarHBondContact O-N 2.91Å; S550-S591 PolarHBondContact OG-O 3.39Å; S550-S591 VanDerWaalsContact OG-O 3.11Å; S591-R600 WeakPolarHBondContact CA-O 3.3Å; S591-R600 PolarHBondContact OG-O 2.86Å |
| 592 | D | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -66.1 | 169.9 | 167.9 | 62.6 | 30 | 0 | 0 | 0 | 111.1 | N508 P512 N546 E548 A594 R599 R600 | N508-D592 PolarHBondContact ND2-OD2 3.26Å; N508-D592 PolarHBondContact OD1-OD2 2.86Å; P512-D592 HydrophobicContact CG-CB 3.95Å; N546-D592 WeakPolarHBondContact O-CB 3.26Å; E548-D592 CarbonylContact O-C 3.49Å; E548-D592 WeakPolarHBondContact O-CA 3.45Å; D592-A594 PolarHBondContact OD1-N 2.95Å; D592-R599 WeakPolarHBondContact OD1-CA 3.18Å; D592-R599 VanDerWaalsContact OD1-CB 3.32Å; D592-R599 WeakPolarHBondContact OD1-CB 3.32Å; D592-R599 VanDerWaalsContact OD1-CG 3.31Å; D592-R599 WeakPolarHBondContact OD1-CG 3.27Å; D592-R600 VanDerWaalsContact CG-N 3.28Å; D592-R600 PolarHBondContact N-O 3.25Å; D592-R600 VanDerWaalsContact N-O 3.08Å; D592-R600 PolarHBondContact OD1-N 3.43Å; D592-R600 VanDerWaalsContact OD1-N 3.14Å; D592-R600 WeakPolarHBondContact OD2-CA 3.41Å; D592-R600 VanDerWaalsContact OD2-CB 3.28Å; D592-R600 WeakPolarHBondContact OD2-CB 3.3Å; D592-R600 PolarHBondContact OD2-N 3.34Å | ||
| 593 | N | 91 | Very high | 91.2 | Very high | 53 Ų | 53 | 54.3 Ų | 54.3 | 28% | 0.283 | 30% | 0.302 | S | S | . | . | trans | -102.5 | 18.6 | 177 | -76.1 | -27.4 | 0 | 0 | 0 | 112.9 | S545 E548 | S545-N593 CarbonylContact O-C 3.46Å; S545-N593 WeakPolarHBondContact O-CA 3.46Å; S545-N593 WeakPolarHBondContact O-CB 2.99Å; S545-N593 PolarHBondContact O-N 3.45Å; S545-N593 VanDerWaalsContact O-N 3.15Å; E548-N593 HydrophobicContact CB-CB 4.31Å; E548-N593 WeakPolarHBondContact CG-ND2 3.44Å; E548-N593 PolarHBondContact O-N 3.04Å; E548-N593 PolarHBondContact O-ND2 3.09Å; E548-N593 PolarHBondContact OE2-ND2 2.93Å | ||
| 594 | A | 88.6 | Confident | 91.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -58 | 164.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S545 D592 R599 | S545-A594 PolarHBondContact O-N 2.8Å; D592-A594 PolarHBondContact OD1-N 2.95Å; A594-R599 HydrophobicContact CB-CG 4.16Å; A594-R599 WeakPolarHBondContact O-CG 3.48Å; A594-R599 PolarHBondContact O-NE 2.81Å |
| 595 | P | 86.5 | Confident | 91.5 | Very high | 70 Ų | 70 | 51 Ų | 51 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | trans | -53.3 | 144.3 | 172.4 | -25.3 | 35 | 0 | 0 | 0 | 111.2 | A597 E598 R599 | P595-A597 PolarHBondContact O-N 2.89Å; P595-E598 PolarHBondContact O-N 2.93Å; P595-R599 PolarHBondContact O-N 2.89Å | ||
| 596 | P | 84.1 | Confident | 91.5 | Very high | 109 Ų | 109 | 49 Ų | 49 | 71% | 0.708 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -22.7 | -170 | -28 | 34 | 0 | 0 | 0 | 116.4 | ||
| 597 | A | 84.8 | Confident | 91.4 | Very high | 102 Ų | 102 | 54.2 Ų | 54.2 | 84% | 0.843 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -21.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P595 | P595-A597 PolarHBondContact O-N 2.89Š|
| 598 | E | 87 | Confident | 91.2 | Very high | 116 Ų | 116 | 52.5 Ų | 52.5 | 54% | 0.542 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -2.7 | -172.9 | -68.1 | 176 | -162.3 | 0 | 0 | 112.9 | N508 P595 | N508-E598 PolarHBondContact ND2-O 3.27Å; P595-E598 PolarHBondContact O-N 2.93Å |
| 599 | R | 89.8 | Confident | 90.9 | Very high | 126 Ų | 126 | 56.4 Ų | 56.4 | 48% | 0.475 | 29% | 0.294 | S | S | . | . | trans | -60.7 | 136.4 | -177.8 | -73.1 | -171.5 | -167.6 | 167.9 | 0.1 | 113.9 | D592 A594 P595 | D592-R599 WeakPolarHBondContact OD1-CA 3.18Å; D592-R599 VanDerWaalsContact OD1-CB 3.32Å; D592-R599 WeakPolarHBondContact OD1-CB 3.32Å; D592-R599 VanDerWaalsContact OD1-CG 3.31Å; D592-R599 WeakPolarHBondContact OD1-CG 3.27Å; A594-R599 HydrophobicContact CB-CG 4.16Å; A594-R599 WeakPolarHBondContact O-CG 3.48Å; A594-R599 PolarHBondContact O-NE 2.81Å; P595-R599 PolarHBondContact O-N 2.89Å | ||
| 600 | R | 91.6 | Very high | 90.5 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | trans | -119.5 | 150.6 | 176.7 | -57.3 | 175 | 171.4 | -149.9 | 5 | 110.1 | N508 D509 N510 T511 S591 D592 | N508-R600 PolarHBondContact O-NE 2.68Å; N508-R600 PolarHBondContact O-NH2 2.88Å; D509-R600 PolarHBondContact O-NH1 2.94Å; N510-R600 WeakPolarHBondContact O-CD 3.49Å; N510-R600 PolarHBondContact O-NH1 3.41Å; T511-R600 HydrophobicContact CG2-CB 4.01Å; T511-R600 WeakPolarHBondContact OG1-CD 3.37Å; S591-R600 WeakPolarHBondContact CA-O 3.3Å; S591-R600 PolarHBondContact OG-O 2.86Å; D592-R600 VanDerWaalsContact CG-N 3.28Å; D592-R600 PolarHBondContact N-O 3.25Å; D592-R600 VanDerWaalsContact N-O 3.08Å; D592-R600 PolarHBondContact OD1-N 3.43Å; D592-R600 VanDerWaalsContact OD1-N 3.14Å; D592-R600 WeakPolarHBondContact OD2-CA 3.41Å; D592-R600 VanDerWaalsContact OD2-CB 3.28Å; D592-R600 WeakPolarHBondContact OD2-CB 3.3Å; D592-R600 PolarHBondContact OD2-N 3.34Å | ||
| 601 | H | 94 | Very high | 89.7 | Confident | 106 Ų | 106 | 56.8 Ų | 56.8 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 153.1 | -177.1 | 62 | -80.9 | 0 | 0 | 0 | 112.1 | Q589 A590 | Q589-H601 HydrophobicContact CG-CB 4.02Å; A590-H601 CarbonylContact O-C 3.59Å; A590-H601 WeakPolarHBondContact O-CA 3.34Å; A590-H601 VanDerWaalsContact O-CB 3.26Å; A590-H601 WeakPolarHBondContact O-CB 3.36Å |
| 602 | S | 94.2 | Very high | 88.8 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 165.2 | 168.2 | 74.3 | 0 | 0 | 0 | 0 | 111.2 | P512 F514 Q589 A590 | P512-S602 WeakPolarHBondContact O-CB 3.24Å; P512-S602 PolarHBondContact O-OG 2.81Å; F514-S602 WeakPolarHBondContact CD2-OG 3.35Å; Q589-S602 VanDerWaalsContact CA-O 3.31Å; Q589-S602 WeakPolarHBondContact CA-O 3.24Å; A590-S602 PolarHBondContact N-O 2.96Å; A590-S602 PolarHBondContact O-N 3.22Å |
| 603 | I | 93.7 | Very high | 87.5 | Confident | 100 Ų | 100 | 63.8 Ų | 63.8 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144 | 178.9 | 57.4 | 172.7 | 0 | 0 | 0 | 110.9 | L554 T587 V588 Q589 | L554-I603 HydrophobicContact CD1-CG2 3.99Å; T587-I603 HydrophobicContact CG2-CB 4.41Å; V588-I603 CarbonylContact O-C 3.48Å; V588-I603 WeakPolarHBondContact O-CA 3.42Å; Q589-I603 HydrophobicContact CB-CG2 3.96Å; Q589-I603 HydrophobicContact CG-CG2 4.12Å |
| 604 | C | 92.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 162.3 | 170 | 74 | 0 | 0 | 0 | 0 | 110.9 | F514 I517 Y519 T587 V588 | F514-C604 HydrophobicContact CB-CB 4.14Å; F514-C604 HydrophobicContact CD1-CB 4.45Å; F514-C604 HydrophobicContact CD2-CB 3.69Å; F514-C604 HydrophobicContact CE2-CB 4.14Å; F514-C604 HydrophobicContact CG-CB 3.85Å; I517-C604 WeakPolarHBondContact O-CA 3.05Å; Y519-C604 HydrophobicContact CE2-CB 4.34Å; T587-C604 WeakPolarHBondContact CA-O 3.01Å; V588-C604 PolarHBondContact N-O 2.82Å; V588-C604 PolarHBondContact O-N 2.83Å |
| 605 | T | 92.9 | Very high | 83.7 | Confident | 39 Ų | 39 | 71.9 Ų | 71.9 | 24% | 0.239 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.5 | 178.1 | -37.6 | 0 | 0 | 0 | 0 | 111.6 | I517 S518 Y519 A585 L586 Y607 | I517-T605 PolarHBondContact O-N 3.22Å; I517-T605 VanDerWaalsContact O-N 3.07Å; S518-T605 CarbonylContact C-O 3.54Å; S518-T605 WeakPolarHBondContact CA-O 3.13Å; S518-T605 WeakPolarHBondContact CB-O 3.27Å; Y519-T605 PolarHBondContact N-O 3.03Å; A585-T605 HydrophobicContact CB-CG2 4.35Å; L586-T605 CarbonylContact O-C 3.29Å; L586-T605 VanDerWaalsContact O-CA 3.24Å; L586-T605 WeakPolarHBondContact O-CA 3.45Å; T605-Y607 HydrophobicContact CG2-CE1 4.34Å; T605-Y607 HydrophobicContact CG2-CE2 4.44Å |
| 606 | V | 92.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 112.4 | 174.7 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | Y519 V521 I534 L536 A585 L586 I608 | Y519-V606 HydrophobicContact CD2-CG2 4.37Å; Y519-V606 CarbonylContact O-C 3.59Å; Y519-V606 WeakPolarHBondContact O-CA 3.49Å; V521-V606 HydrophobicContact CG2-CG1 3.86Å; I534-V606 HydrophobicContact CG2-CG1 4.05Å; L536-V606 HydrophobicContact CD1-CG2 3.93Å; L536-V606 HydrophobicContact CD2-CG2 3.89Å; L536-V606 HydrophobicContact CG-CG2 4.42Å; A585-V606 CarbonylContact C-O 3.54Å; A585-V606 WeakPolarHBondContact CA-O 3.4Å; L586-V606 HydrophobicContact CB-CB 4.22Å; L586-V606 HydrophobicContact CD1-CB 4.3Å; L586-V606 PolarHBondContact N-O 2.76Å; L586-V606 PolarHBondContact O-N 2.55Å; V606-I608 HydrophobicContact CG1-CD1 4.44Å; V606-I608 HydrophobicContact CG1-CG1 3.94Å |
| 607 | Y | 91.3 | Very high | 81.7 | Confident | 109 Ų | 109 | 71.8 Ų | 71.8 | 43% | 0.427 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 123 | 171.2 | -64.7 | -70.1 | 0 | 0 | 0 | 109.4 | Y519 D520 V521 Y584 A585 T605 | Y519-Y607 PolarHBondContact O-N 2.86Å; D520-Y607 CarbonylContact C-O 3.48Å; D520-Y607 WeakPolarHBondContact CA-O 3.4Å; D520-Y607 WeakPolarHBondContact OD1-CB 3.5Å; V521-Y607 PolarHBondContact N-O 3.34Å; Y584-Y607 CarbonylContact O-C 3.6Å; Y584-Y607 VanDerWaalsContact O-CA 3.3Å; Y584-Y607 WeakPolarHBondContact O-CA 3.26Å; A585-Y607 HydrophobicContact CB-CD1 3.8Å; A585-Y607 HydrophobicContact CB-CE1 3.74Å; T605-Y607 HydrophobicContact CG2-CE1 4.34Å; T605-Y607 HydrophobicContact CG2-CE2 4.44Å |
| 608 | I | 89.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127 | 179 | -57 | 174.8 | 0 | 0 | 0 | 109.1 | V521 V523 V533 F561 T583 Y584 L586 V606 | V521-I608 HydrophobicContact CB-CG1 4.43Å; V521-I608 CarbonylContact O-C 3.6Å; V521-I608 VanDerWaalsContact O-CA 3.27Å; V521-I608 WeakPolarHBondContact O-CA 3.14Å; V523-I608 HydrophobicContact CB-CG2 4.21Å; V523-I608 HydrophobicContact CG1-CG2 3.78Å; V523-I608 HydrophobicContact CG2-CG2 3.42Å; V523-I608 VanDerWaalsContact CG2-CG2 3.42Å; V533-I608 HydrophobicContact CG1-CD1 3.83Å; V533-I608 HydrophobicContact CG1-CG1 4.34Å; F561-I608 HydrophobicContact CD1-CD1 4.06Å; F561-I608 HydrophobicContact CD2-CD1 4.12Å; F561-I608 HydrophobicContact CE1-CD1 3.73Å; F561-I608 HydrophobicContact CE2-CD1 3.8Å; F561-I608 HydrophobicContact CG-CD1 4.25Å; F561-I608 HydrophobicContact CZ-CD1 3.58Å; F561-I608 HydrophobicContact CZ-CG2 4.14Å; T583-I608 CarbonylContact C-O 3.54Å; T583-I608 WeakPolarHBondContact CA-O 3.43Å; Y584-I608 HydrophobicContact CD2-CB 4.32Å; Y584-I608 HydrophobicContact CD2-CG2 4.44Å; Y584-I608 PolarHBondContact N-O 2.85Å; Y584-I608 PolarHBondContact O-N 3.15Å; L586-I608 HydrophobicContact CD1-CD1 3.24Å; L586-I608 HydrophobicContact CD1-CG1 4.04Å; V606-I608 HydrophobicContact CG1-CD1 4.44Å; V606-I608 HydrophobicContact CG1-CG1 3.94Å |
| 609 | E | 86.8 | Confident | 81.4 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.5 | 172.1 | -179.7 | 176.8 | -175.3 | 0 | 0 | 110.8 | V521 Y522 V523 T583 L611 | V521-E609 PolarHBondContact O-N 3.08Å; Y522-E609 WeakPolarHBondContact CA-O 3.44Å; Y522-E609 HydrophobicContact CD1-CB 3.95Å; Y522-E609 HydrophobicContact CD1-CG 4.46Å; Y522-E609 HydrophobicContact CE1-CB 4.16Å; Y522-E609 WeakPolarHBondContact CE1-OE2 3.18Å; V523-E609 PolarHBondContact N-O 3.19Å; T583-E609 HydrophobicContact CG2-CB 4.48Å; T583-E609 HydrophobicContact CG2-CG 4.38Å; E609-L611 HydrophobicContact CG-CD2 4.15Å |
| 610 | V | 85.9 | Confident | 81.1 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.6 | -178.1 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | V523 T525 L578 I579 G581 Q582 Y584 | V523-V610 HydrophobicContact CG2-CB 4.21Å; V523-V610 HydrophobicContact CG2-CG1 4.41Å; V523-V610 HydrophobicContact CG2-CG2 3.7Å; V523-V610 CarbonylContact O-C 3.58Å; V523-V610 VanDerWaalsContact O-CA 3.27Å; V523-V610 WeakPolarHBondContact O-CA 3.38Å; T525-V610 HydrophobicContact CG2-CG1 3.56Å; L578-V610 HydrophobicContact CB-CG1 3.94Å; L578-V610 HydrophobicContact CB-CG2 4.45Å; I579-V610 WeakPolarHBondContact O-CB 3.06Å; G581-V610 PolarHBondContact N-O 3.36Å; Q582-V610 HydrophobicContact CB-CG2 4.21Å; Q582-V610 WeakPolarHBondContact O-CG2 3.35Å; Q582-V610 PolarHBondContact O-N 2.85Å; Q582-V610 VanDerWaalsContact O-N 3.09Å; Y584-V610 HydrophobicContact CE2-CG2 4.31Å |
| 611 | L | 78.2 | Confident | 80.9 | Confident | 46 Ų | 46 | 63.2 Ų | 63.2 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 159.4 | -176.6 | -65.1 | -173.3 | 0 | 0 | 0 | 113.9 | Y522 V523 Y524 T525 E609 | Y522-L611 HydrophobicContact CD1-CD1 3.64Å; Y522-L611 HydrophobicContact CD1-CG 4.02Å; Y522-L611 HydrophobicContact CE1-CD1 4.45Å; Y522-L611 HydrophobicContact CG-CD1 3.79Å; Y522-L611 HydrophobicContact CG-CG 4.47Å; V523-L611 PolarHBondContact O-N 3.25Å; Y524-L611 WeakPolarHBondContact CA-O 3.38Å; Y524-L611 HydrophobicContact CD1-CB 3.79Å; Y524-L611 HydrophobicContact CE1-CB 3.81Å; Y524-L611 HydrophobicContact CE1-CD1 4.17Å; T525-L611 PolarHBondContact N-O 3.14Å; E609-L611 HydrophobicContact CG-CD2 4.15Å |
| 612 | P | 75.4 | Confident | 80.4 | Confident | 77 Ų | 77 | 62.1 Ų | 62.1 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 163.2 | 169.7 | 30.9 | -34 | 0 | 0 | 0 | 112.6 | Y524 | Y524-P612 VanDerWaalsContact CD1-O 3.27Å; Y524-P612 WeakPolarHBondContact CD1-O 3.3Å |
| 613 | P | 67.8 | Low | 79.9 | Confident | 85 Ų | 85 | 66.2 Ų | 66.2 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 142.8 | -171.5 | -23.8 | 33.4 | 0 | 0 | 0 | 115.8 | ||
| 614 | N | 52 | Low | 79.3 | Confident | 88 Ų | 88 | 67.5 Ų | 67.5 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -102.9 | 138.3 | -173.5 | -179.7 | 13.1 | 0 | 0 | 0 | 114.9 | Y524 | Y524-N614 HydrophobicContact CE1-CB 4.11Š|
| 615 | N | 47.9 | Very low | 79.1 | Confident | 135 Ų | 135 | 74 Ų | 74 | 72% | 0.722 | 38% | 0.383 | S | S | * | . | trans | -138.7 | 20.6 | -168.2 | -104.6 | 2.3 | 0 | 0 | 0 | 120.2 | ||||
| 616 | Q | 61.2 | Low | 78.9 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 61% | 0.607 | 38% | 0.376 | S | S | * | . | trans | -149.5 | 143.9 | 170.5 | -77.8 | -65.3 | -81.7 | 0 | 0 | 112.8 | ||||
| 617 | S | 66.6 | Low | 78.8 | Confident | 46 Ų | 46 | 77.7 Ų | 77.7 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | trans | -154.5 | 143.4 | -176.5 | -54.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 618 | P | 79 | Confident | 78.8 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 47% | 0.474 | 39% | 0.394 | S | S | . | . | trans | -77.4 | 165.5 | 176.2 | 31.6 | -35.9 | 0 | 0 | 0 | 113.7 | R620 | P618-R620 PolarHBondContact O-N 3.28Š| ||
| 619 | P | 85.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.006 | 43% | 0.427 | C | S | . | . | trans | -57.7 | 130.7 | 176.8 | -22.6 | 32 | 0 | 0 | 0 | 111.3 | A645 D647 I653 D697 G702 S704 | P619-A645 HydrophobicContact CB-CB 4.47Å; P619-D647 HydrophobicContact CB-CB 4.38Å; P619-D647 HydrophobicContact CG-CB 4.36Å; P619-I653 HydrophobicContact CB-CD1 4.16Å; P619-I653 HydrophobicContact CB-CG1 4.39Å; P619-D697 HydrophobicContact CG-CB 3.77Å; P619-G702 WeakPolarHBondContact CD-O 3.48Å; P619-S704 WeakPolarHBondContact O-CB 3.35Å; P619-S704 PolarHBondContact O-OG 2.91Å | ||
| 620 | R | 83.3 | Confident | 79.1 | Confident | 176 Ų | 176 | 77.1 Ų | 77.1 | 66% | 0.664 | 41% | 0.41 | S | S | * | . | B | Isolated β-bridge | trans | -110.3 | 121 | -173.9 | -157.7 | 177.8 | -173.1 | -95.4 | 3.1 | 110.6 | P618 A645 T646 | P618-R620 PolarHBondContact O-N 3.28Å; R620-A645 WeakPolarHBondContact O-CA 3.33Å; R620-T646 PolarHBondContact N-O 2.94Å; R620-T646 PolarHBondContact O-N 2.88Å |
| 621 | F | 87.5 | Confident | 79.3 | Confident | 3 Ų | 3 | 78.8 Ų | 78.8 | 1% | 0.013 | 42% | 0.421 | C | S | . | . | trans | -67.3 | 134.6 | 161.4 | -72.4 | -75.5 | 0 | 0 | 0 | 109.1 | Q623 Y626 L643 A645 Y655 V693 A695 A706 | F621-Q623 WeakPolarHBondContact CB-O 3.34Å; F621-Q623 PolarHBondContact O-N 2.81Å; F621-Y626 HydrophobicContact CD1-CE2 4.48Å; F621-L643 HydrophobicContact CE1-CB 4.27Å; F621-A645 HydrophobicContact CD1-CB 3.89Å; F621-A645 HydrophobicContact CE1-CB 4.03Å; F621-A645 HydrophobicContact CG-CB 4.22Å; F621-A645 HydrophobicContact CZ-CB 4.48Å; F621-Y655 HydrophobicContact CE1-CD1 4.24Å; F621-Y655 AromaticContact CE1-CE1 3.88Å; F621-Y655 HydrophobicContact CE1-CE1 3.88Å; F621-Y655 HydrophobicContact CZ-CD1 4.29Å; F621-Y655 HydrophobicContact CZ-CE1 4.25Å; F621-V693 HydrophobicContact CZ-CG1 4.48Å; F621-A695 HydrophobicContact CD2-CB 4.42Å; F621-A695 HydrophobicContact CE1-CB 4.02Å; F621-A695 HydrophobicContact CE2-CB 3.54Å; F621-A695 HydrophobicContact CZ-CB 3.3Å; F621-A706 HydrophobicContact CB-CB 4.28Å; F621-A706 HydrophobicContact CD1-CB 4.12Å; F621-A706 HydrophobicContact CD2-CB 3.56Å; F621-A706 HydrophobicContact CE1-CB 4.31Å; F621-A706 HydrophobicContact CE2-CB 3.76Å; F621-A706 HydrophobicContact CG-CB 3.74Å; F621-A706 HydrophobicContact CZ-CB 4.12Å | ||
| 622 | P | 84.2 | Confident | 80 | Confident | 84 Ų | 84 | 77.1 Ų | 77.1 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -56.4 | -33.3 | 174.1 | -26 | 33.7 | 0 | 0 | 0 | 112.5 | Q644 | P622-Q644 WeakPolarHBondContact CD-O 3.44Š|
| 623 | Q | 83.1 | Confident | 80.6 | Confident | 111 Ų | 111 | 77 Ų | 77 | 52% | 0.519 | 42% | 0.418 | S | S | . | . | trans | -129.1 | 136.1 | 176.5 | -58.9 | 176.5 | -28.2 | 0 | 0 | 109.5 | F621 M625 Y626 | F621-Q623 WeakPolarHBondContact CB-O 3.34Å; F621-Q623 PolarHBondContact O-N 2.81Å; Q623-M625 VanDerWaalsContact C-N 3.34Å; Q623-Y626 HydrophobicContact CB-CD1 4.39Å; Q623-Y626 HydrophobicContact CB-CE1 3.86Å; Q623-Y626 HydrophobicContact CB-CE2 4.18Å; Q623-Y626 HydrophobicContact CG-CE1 4.33Å; Q623-Y626 PolarHBondContact N-OH 2.85Å; Q623-Y626 WeakPolarHBondContact O-CE2 3.32Å; Q623-Y626 PolarHBondContact O-OH 3.13Å; Q623-Y626 VanDerWaalsContact OE1-CD1 3.28Å; Q623-Y626 VanDerWaalsContact OE1-CE1 3.23Å | ||
| 624 | L | 82.5 | Confident | 81.7 | Confident | 126 Ų | 126 | 76.2 Ų | 76.2 | 66% | 0.66 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -80.3 | -20.8 | 175.8 | -63.9 | 174.4 | 0 | 0 | 0 | 112.3 | A706 T707 | L624-A706 WeakPolarHBondContact O-CA 3.39Å; L624-T707 PolarHBondContact O-N 2.96Å |
| 625 | M | 87.6 | Confident | 83.5 | Confident | 138 Ų | 138 | 82.1 Ų | 82.1 | 68% | 0.68 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 128.6 | 179.1 | -62 | -177.8 | 76.5 | 0 | 0 | 109.1 | Q623 T707 | Q623-M625 VanDerWaalsContact C-N 3.34Å; M625-T707 CarbonylContact C-O 3.55Å; M625-T707 VanDerWaalsContact CA-O 3.29Å; M625-T707 WeakPolarHBondContact CA-O 3.48Å |
| 626 | Y | 89.2 | Confident | 85.5 | Confident | 23 Ų | 23 | 80.4 Ų | 80.4 | 9% | 0.09 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.9 | 171.5 | -60.9 | -92.5 | 0 | 0 | 0 | 107.4 | F621 Q623 L641 L643 A706 T707 V708 N709 | F621-Y626 HydrophobicContact CD1-CE2 4.48Å; Q623-Y626 HydrophobicContact CB-CD1 4.39Å; Q623-Y626 HydrophobicContact CB-CE1 3.86Å; Q623-Y626 HydrophobicContact CB-CE2 4.18Å; Q623-Y626 HydrophobicContact CG-CE1 4.33Å; Q623-Y626 PolarHBondContact N-OH 2.85Å; Q623-Y626 WeakPolarHBondContact O-CE2 3.32Å; Q623-Y626 PolarHBondContact O-OH 3.13Å; Q623-Y626 VanDerWaalsContact OE1-CD1 3.28Å; Q623-Y626 VanDerWaalsContact OE1-CE1 3.23Å; Y626-L641 HydrophobicContact CD1-CD2 4.42Å; Y626-L641 HydrophobicContact CG-CD1 4.49Å; Y626-L643 HydrophobicContact CD1-CD2 4.17Å; Y626-L643 HydrophobicContact CD2-CD2 3.56Å; Y626-L643 HydrophobicContact CE1-CD2 4.15Å; Y626-L643 HydrophobicContact CE2-CD2 3.55Å; Y626-L643 HydrophobicContact CG-CD2 3.89Å; Y626-A706 HydrophobicContact CD2-CB 4.18Å; Y626-A706 HydrophobicContact CE2-CB 3.83Å; Y626-T707 PolarHBondContact N-O 2.87Å; Y626-V708 HydrophobicContact CD2-CG2 4.27Å; Y626-V708 CarbonylContact O-C 3.54Å; Y626-V708 WeakPolarHBondContact O-CA 3.46Å; Y626-N709 PolarHBondContact O-N 2.85Å |
| 627 | S | 90.6 | Very high | 86.8 | Confident | 94 Ų | 94 | 76.8 Ų | 76.8 | 66% | 0.657 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.6 | 174.2 | -163.7 | 0 | 0 | 0 | 0 | 108.4 | N709 | S627-N709 WeakPolarHBondContact CA-O 3.28Å |
| 628 | L | 90.7 | Very high | 88 | Confident | 28 Ų | 28 | 75.8 Ų | 75.8 | 15% | 0.147 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 151.7 | 173.2 | 65.6 | 161.1 | 0 | 0 | 0 | 111 | V630 L640 L641 V708 N709 I710 V711 | L628-V630 HydrophobicContact CD1-CG2 3.55Å; L628-V630 HydrophobicContact CG-CG2 4.01Å; L628-L640 HydrophobicContact CD1-CB 3.9Å; L628-L641 HydrophobicContact CD1-CD1 4.38Å; L628-L641 HydrophobicContact CD1-CG 4.15Å; L628-L641 HydrophobicContact CD2-CD1 3.46Å; L628-L641 VanDerWaalsContact CD2-CD1 3.46Å; L628-L641 HydrophobicContact CD2-CG 4.08Å; L628-V708 HydrophobicContact CD2-CG1 3.73Å; L628-N709 PolarHBondContact N-O 2.88Å; L628-I710 HydrophobicContact CD2-CG1 3.69Å; L628-I710 HydrophobicContact CG-CG1 4.23Å; L628-I710 WeakPolarHBondContact O-CA 3.4Å; L628-V711 PolarHBondContact O-N 2.82Å |
| 629 | E | 90.9 | Very high | 88.6 | Confident | 151 Ų | 151 | 77.9 Ų | 77.9 | 71% | 0.706 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128 | 172.2 | -73.7 | 175.6 | -168.6 | 0 | 0 | 108.6 | V711 T713 | E629-V711 WeakPolarHBondContact CA-O 3.46Å; E629-V711 HydrophobicContact CG-CB 4.34Å; E629-T713 HydrophobicContact CB-CG2 3.75Å; E629-T713 HydrophobicContact CG-CG2 4Å |
| 630 | V | 91.2 | Very high | 88.8 | Confident | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.018 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 118.9 | -179.2 | -177 | 0 | 0 | 0 | 0 | 108.1 | L628 M634 L640 L681 I710 V711 V712 T713 | L628-V630 HydrophobicContact CD1-CG2 3.55Å; L628-V630 HydrophobicContact CG-CG2 4.01Å; V630-M634 HydrophobicContact CG1-CB 3.72Å; V630-M634 HydrophobicContact CG1-CE 4Å; V630-M634 HydrophobicContact CG1-CG 3.89Å; V630-L640 HydrophobicContact CG1-CD2 3.95Å; V630-L640 HydrophobicContact CG2-CD1 4.46Å; V630-L640 HydrophobicContact CG2-CD2 3.94Å; V630-L681 HydrophobicContact CB-CD1 4.22Å; V630-L681 HydrophobicContact CG1-CD1 3.57Å; V630-I710 HydrophobicContact CB-CG2 4.1Å; V630-I710 HydrophobicContact CG2-CG2 3.74Å; V630-V711 PolarHBondContact N-O 2.95Å; V630-V712 CarbonylContact O-C 3.54Å; V630-V712 VanDerWaalsContact O-CA 3.25Å; V630-V712 WeakPolarHBondContact O-CA 3.49Å; V630-T713 PolarHBondContact O-N 3.32Å |
| 631 | S | 90.8 | Very high | 89.2 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 140.1 | 174.7 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | A633 M634 T713 V715 | S631-A633 PolarHBondContact O-N 2.63Å; S631-A633 PolarHBondContact OG-N 3.34Å; S631-M634 WeakPolarHBondContact O-CB 3.35Å; S631-M634 PolarHBondContact O-N 3.21Å; S631-T713 WeakPolarHBondContact CA-OG1 3.38Å; S631-T713 PolarHBondContact N-OG1 2.79Å; S631-V715 WeakPolarHBondContact OG-CG2 3.35Å |
| 632 | E | 92.3 | Very high | 89.3 | Confident | 12 Ų | 12 | 76.2 Ų | 76.2 | 6% | 0.056 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26.1 | 175.2 | 73.1 | -167.1 | 120.7 | 0 | 0 | 113.2 | M634 L681 R683 V712 T713 V715 | E632-M634 PolarHBondContact O-N 2.64Å; E632-M634 VanDerWaalsContact O-N 3.1Å; E632-L681 HydrophobicContact CB-CB 4.18Å; E632-R683 HydrophobicContact CB-CB 4.44Å; E632-R683 WeakPolarHBondContact OE2-CB 3.33Å; E632-R683 PolarHBondContact OE2-N 3.41Å; E632-V712 HydrophobicContact CB-CG1 3.76Å; E632-T713 PolarHBondContact N-O 3.23Å; E632-T713 VanDerWaalsContact N-O 3.15Å; E632-V715 HydrophobicContact CG-CB 3.91Å; E632-V715 HydrophobicContact CG-CG2 3.91Å; E632-V715 PolarHBondContact OE1-N 3.08Å |
| 633 | A | 88.7 | Confident | 89.5 | Confident | 74 Ų | 74 | 72.2 Ų | 72.2 | 61% | 0.612 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 5.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S631 R635 V715 | S631-A633 PolarHBondContact O-N 2.63Å; S631-A633 PolarHBondContact OG-N 3.34Å; A633-R635 PolarHBondContact O-N 2.85Å; A633-V715 HydrophobicContact CB-CG2 4.02Å |
| 634 | M | 91.3 | Very high | 89.7 | Confident | 69 Ų | 69 | 72.1 Ų | 72.1 | 34% | 0.34 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 130.7 | 178.4 | -174.6 | 64.4 | 75 | 0 | 0 | 111.1 | V630 S631 E632 I636 A638 L640 L677 | V630-M634 HydrophobicContact CG1-CB 3.72Å; V630-M634 HydrophobicContact CG1-CE 4Å; V630-M634 HydrophobicContact CG1-CG 3.89Å; S631-M634 WeakPolarHBondContact O-CB 3.35Å; S631-M634 PolarHBondContact O-N 3.21Å; E632-M634 PolarHBondContact O-N 2.64Å; E632-M634 VanDerWaalsContact O-N 3.1Å; M634-I636 PolarHBondContact O-N 3.47Å; M634-A638 HydrophobicContact CG-CB 3.82Å; M634-A638 HydrophobicContact SD-CB 3.63Å; M634-L640 HydrophobicContact CG-CD2 4.37Å; M634-L677 HydrophobicContact CB-CD2 3.94Å; M634-L677 HydrophobicContact CG-CD2 3.85Å; M634-L677 WeakPolarHBondContact O-CD2 3.25Å |
| 635 | R | 90.3 | Very high | 89.9 | Confident | 212 Ų | 212 | 66.5 Ų | 66.5 | 80% | 0.8 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 134.2 | -178.5 | -172.9 | 179.7 | 175.2 | -173 | -0.4 | 111.2 | A633 G637 A638 | A633-R635 PolarHBondContact O-N 2.85Å; R635-G637 PolarHBondContact O-N 3.04Å; R635-A638 VanDerWaalsContact O-CB 3.24Å; R635-A638 WeakPolarHBondContact O-CB 3.19Å; R635-A638 PolarHBondContact O-N 2.89Å; R635-A638 VanDerWaalsContact O-N 3.09Å |
| 636 | I | 89.4 | Confident | 89.6 | Confident | 98 Ų | 98 | 64.2 Ų | 64.2 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 131.7 | 170.4 | -56.5 | 173.9 | 0 | 0 | 0 | 110.3 | M634 A680 | M634-I636 PolarHBondContact O-N 3.47Å; I636-A680 HydrophobicContact CD1-CB 4.33Å; I636-A680 HydrophobicContact CG1-CB 4.49Å |
| 637 | G | 89.1 | Confident | 89.3 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -2.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R635 L677 | R635-G637 PolarHBondContact O-N 3.04Å; G637-L677 WeakPolarHBondContact CA-O 3.49Å; G637-L677 PolarHBondContact N-O 3.49Å |
| 638 | A | 90.7 | Very high | 88.5 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 21% | 0.207 | 35% | 0.354 | C | S | . | . | trans | -62.7 | 138.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M634 R635 S676 L677 | M634-A638 HydrophobicContact CG-CB 3.82Å; M634-A638 HydrophobicContact SD-CB 3.63Å; R635-A638 VanDerWaalsContact O-CB 3.24Å; R635-A638 WeakPolarHBondContact O-CB 3.19Å; R635-A638 PolarHBondContact O-N 2.89Å; R635-A638 VanDerWaalsContact O-N 3.09Å; A638-S676 CarbonylContact O-C 3.46Å; A638-S676 WeakPolarHBondContact O-CA 3.47Å; A638-S676 WeakPolarHBondContact O-CB 3.34Å; A638-L677 PolarHBondContact O-N 2.64Å | ||
| 639 | I | 91.2 | Very high | 87.9 | Confident | 118 Ų | 118 | 70 Ų | 70 | 61% | 0.605 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122 | 173.3 | -63.6 | 169.6 | 0 | 0 | 0 | 107.7 | I674 | I639-I674 HydrophobicContact CB-CG2 4.4Å; I639-I674 HydrophobicContact CD1-CG2 4.28Å; I639-I674 HydrophobicContact CG1-CG2 3.98Å; I639-I674 HydrophobicContact CG2-CG2 3.69Å |
| 640 | L | 91.2 | Very high | 87.3 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -46.1 | -176.4 | -58.6 | -178.5 | 0 | 0 | 0 | 111.6 | L628 V630 M634 F666 L675 L677 I710 | L628-L640 HydrophobicContact CD1-CB 3.9Å; V630-L640 HydrophobicContact CG1-CD2 3.95Å; V630-L640 HydrophobicContact CG2-CD1 4.46Å; V630-L640 HydrophobicContact CG2-CD2 3.94Å; M634-L640 HydrophobicContact CG-CD2 4.37Å; L640-F666 HydrophobicContact CD1-CD1 3.61Å; L640-F666 HydrophobicContact CD1-CE1 3.59Å; L640-L675 PolarHBondContact N-O 2.85Å; L640-L677 HydrophobicContact CD1-CB 4.36Å; L640-I710 HydrophobicContact CD1-CD1 4.48Å |
| 641 | L | 90.9 | Very high | 86.8 | Confident | 37 Ų | 37 | 67.9 Ų | 67.9 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 154.8 | -178 | -84 | 170.8 | 0 | 0 | 0 | 111.9 | Y626 L628 L643 L675 V708 | Y626-L641 HydrophobicContact CD1-CD2 4.42Å; Y626-L641 HydrophobicContact CG-CD1 4.49Å; L628-L641 HydrophobicContact CD1-CD1 4.38Å; L628-L641 HydrophobicContact CD1-CG 4.15Å; L628-L641 HydrophobicContact CD2-CD1 3.46Å; L628-L641 VanDerWaalsContact CD2-CD1 3.46Å; L628-L641 HydrophobicContact CD2-CG 4.08Å; L641-L643 HydrophobicContact CB-CG 4.48Å; L641-L643 HydrophobicContact CD1-CD2 4.44Å; L641-L675 HydrophobicContact CB-CB 4.19Å; L641-L675 HydrophobicContact CB-CD2 4.48Å; L641-L675 HydrophobicContact CD1-CD2 4.47Å; L641-L675 PolarHBondContact N-O 3.42Å; L641-L675 PolarHBondContact O-N 3.2Å; L641-V708 HydrophobicContact CD1-CG1 3.41Å; L641-V708 VanDerWaalsContact CD1-CG1 3.41Å; L641-V708 HydrophobicContact CD1-CG2 4.38Å |
| 642 | N | 90.3 | Very high | 86.6 | Confident | 83 Ų | 83 | 71.5 Ų | 71.5 | 44% | 0.444 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 96.4 | 169.5 | -176.7 | 22.4 | 0 | 0 | 0 | 109.1 | Q644 T672 | N642-Q644 PolarHBondContact ND2-NE2 2.88Å; N642-Q644 VanDerWaalsContact ND2-NE2 3.2Å; N642-Q644 PolarHBondContact O-N 3.4Å; N642-Q644 VanDerWaalsContact OD1-CG 3.32Å; N642-Q644 WeakPolarHBondContact OD1-CG 3.36Å; N642-Q644 PolarHBondContact OD1-NE2 3.25Å; N642-T672 PolarHBondContact OD1-O 2.8Å |
| 643 | L | 88.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 40% | 0.401 | C | S | . | . | trans | -85.7 | 96.3 | -177.6 | -62.4 | 169.6 | 0 | 0 | 0 | 108.8 | F621 Y626 L641 Y655 L668 G673 V693 V708 | F621-L643 HydrophobicContact CE1-CB 4.27Å; Y626-L643 HydrophobicContact CD1-CD2 4.17Å; Y626-L643 HydrophobicContact CD2-CD2 3.56Å; Y626-L643 HydrophobicContact CE1-CD2 4.15Å; Y626-L643 HydrophobicContact CE2-CD2 3.55Å; Y626-L643 HydrophobicContact CG-CD2 3.89Å; L641-L643 HydrophobicContact CB-CG 4.48Å; L641-L643 HydrophobicContact CD1-CD2 4.44Å; L643-Y655 WeakPolarHBondContact O-CE1 3.38Å; L643-Y655 VanDerWaalsContact O-CZ 3.24Å; L643-L668 HydrophobicContact CD1-CD1 4.26Å; L643-G673 WeakPolarHBondContact CB-O 3.4Å; L643-G673 PolarHBondContact N-O 2.64Å; L643-G673 WeakPolarHBondContact O-CA 3.17Å; L643-V693 HydrophobicContact CD1-CB 4.08Å; L643-V693 HydrophobicContact CD1-CG1 3.78Å; L643-V693 HydrophobicContact CD1-CG2 3.85Å; L643-V708 HydrophobicContact CD1-CG2 4.01Å; L643-V708 HydrophobicContact CD2-CG2 4.08Å | ||
| 644 | Q | 85.9 | Confident | 86.5 | Confident | 108 Ų | 108 | 72.7 Ų | 72.7 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | trans | -111.2 | 103.7 | 178 | -61.7 | -162.8 | -20.4 | 0 | 0 | 110.5 | P622 N642 | P622-Q644 WeakPolarHBondContact CD-O 3.44Å; N642-Q644 PolarHBondContact ND2-NE2 2.88Å; N642-Q644 VanDerWaalsContact ND2-NE2 3.2Å; N642-Q644 PolarHBondContact O-N 3.4Å; N642-Q644 VanDerWaalsContact OD1-CG 3.32Å; N642-Q644 WeakPolarHBondContact OD1-CG 3.36Å; N642-Q644 PolarHBondContact OD1-NE2 3.25Å | ||
| 645 | A | 86.3 | Confident | 86.6 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 7% | 0.066 | 38% | 0.382 | C | S | . | . | trans | -78.2 | 149.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P619 R620 F621 I653 Y655 A695 | P619-A645 HydrophobicContact CB-CB 4.47Å; R620-A645 WeakPolarHBondContact O-CA 3.33Å; F621-A645 HydrophobicContact CD1-CB 3.89Å; F621-A645 HydrophobicContact CE1-CB 4.03Å; F621-A645 HydrophobicContact CG-CB 4.22Å; F621-A645 HydrophobicContact CZ-CB 4.48Å; A645-I653 HydrophobicContact CB-CD1 4.11Å; A645-I653 HydrophobicContact CB-CG2 4.43Å; A645-I653 WeakPolarHBondContact O-CD1 3.43Å; A645-Y655 HydrophobicContact CB-CE1 4.14Å; A645-Y655 PolarHBondContact N-OH 2.87Å; A645-Y655 PolarHBondContact O-OH 2.8Å; A645-A695 HydrophobicContact CB-CB 3.67Å | ||
| 646 | T | 83 | Confident | 86.7 | Confident | 90 Ų | 90 | 62.4 Ų | 62.4 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | B | Isolated β-bridge | trans | -116.8 | 129.2 | 175.7 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | R620 | R620-T646 PolarHBondContact N-O 2.94Å; R620-T646 PolarHBondContact O-N 2.88Å |
| 647 | D | 81.4 | Confident | 86.9 | Confident | 21 Ų | 21 | 60 Ų | 60 | 11% | 0.112 | 35% | 0.35 | C | S | . | . | trans | -98.1 | 136.7 | 171.6 | -177.9 | 52 | 0 | 0 | 0 | 110.2 | P619 E649 G650 D651 I653 | P619-D647 HydrophobicContact CB-CB 4.38Å; P619-D647 HydrophobicContact CG-CB 4.36Å; D647-E649 PolarHBondContact OD2-N 2.87Å; D647-G650 PolarHBondContact OD2-N 3.35Å; D647-D651 WeakPolarHBondContact OD2-CB 3.32Å; D647-D651 PolarHBondContact OD2-N 2.9Å; D647-I653 HydrophobicContact CB-CD1 4.09Å; D647-I653 HydrophobicContact CB-CG1 4.4Å | ||
| 648 | R | 74.4 | Confident | 87 | Confident | 168 Ų | 168 | 63.7 Ų | 63.7 | 63% | 0.634 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -73.9 | -33.8 | -174.6 | 179.2 | -177.2 | -178 | -179.8 | -2 | 111 | ||
| 649 | E | 78.5 | Confident | 86.9 | Confident | 77 Ų | 77 | 67.6 Ų | 67.6 | 36% | 0.36 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -83.6 | -16.1 | 179.5 | -71.6 | 66 | -148.5 | 0 | 0 | 112.4 | D647 | D647-E649 PolarHBondContact OD2-N 2.87Š|
| 650 | G | 77.1 | Confident | 86.7 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 65% | 0.649 | 35% | 0.35 | S | S | * | . | trans | 87.9 | 23.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D647 | D647-G650 PolarHBondContact OD2-N 3.35Š| ||
| 651 | D | 81.6 | Confident | 86.7 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | trans | -68.8 | 150.6 | 177.9 | -70.7 | -25.2 | 0 | 0 | 0 | 111.8 | D647 D697 R699 | D647-D651 WeakPolarHBondContact OD2-CB 3.32Å; D647-D651 PolarHBondContact OD2-N 2.9Å; D651-D697 HydrophobicContact CB-CB 4.05Å; D651-R699 IonicContact OD1-NH2 2.79Å; D651-R699 IonicContact OD2-CZ 3.89Å; D651-R699 IonicContact OD2-NE 2.7Å; D651-R699 PolarHBondContact OD2-NE 2.94Å; D651-R699 IonicContact OD2-NH2 3.49Å; D651-R699 PolarHBondContact OD2-NH2 2.77Å | ||
| 652 | P | 86 | Confident | 86.4 | Confident | 112 Ų | 112 | 66.5 Ų | 66.5 | 73% | 0.727 | 38% | 0.377 | S | S | * | . | trans | -68 | 132.7 | 177.7 | -15.6 | 29.5 | 0 | 0 | 0 | 112.2 | ||||
| 653 | I | 89.3 | Confident | 86.3 | Confident | 31 Ų | 31 | 67.9 Ų | 67.9 | 16% | 0.159 | 38% | 0.381 | C | S | . | . | trans | -106.5 | 133.8 | -175.1 | -56.8 | 168.5 | 0 | 0 | 0 | 111.1 | P619 A645 D647 Y655 A695 S696 | P619-I653 HydrophobicContact CB-CD1 4.16Å; P619-I653 HydrophobicContact CB-CG1 4.39Å; A645-I653 HydrophobicContact CB-CD1 4.11Å; A645-I653 HydrophobicContact CB-CG2 4.43Å; A645-I653 WeakPolarHBondContact O-CD1 3.43Å; D647-I653 HydrophobicContact CB-CD1 4.09Å; D647-I653 HydrophobicContact CB-CG1 4.4Å; I653-Y655 HydrophobicContact CB-CE2 4.49Å; I653-Y655 HydrophobicContact CG2-CE1 4.09Å; I653-Y655 HydrophobicContact CG2-CE2 4.04Å; I653-A695 HydrophobicContact CG2-CB 3.68Å; I653-S696 CarbonylContact C-O 3.58Å; I653-S696 WeakPolarHBondContact CA-O 3.46Å | ||
| 654 | T | 90.9 | Very high | 86.3 | Confident | 80 Ų | 80 | 77.3 Ų | 77.3 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.3 | 172.4 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | E670 A695 S696 | T654-E670 WeakPolarHBondContact CA-O 3.39Å; T654-A695 WeakPolarHBondContact O-CA 3.41Å; T654-S696 PolarHBondContact N-O 2.83Å; T654-S696 PolarHBondContact O-N 2.82Å; T654-S696 PolarHBondContact OG1-O 2.88Å |
| 655 | Y | 93.3 | Very high | 86.6 | Confident | 16 Ų | 16 | 72.3 Ų | 72.3 | 6% | 0.063 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 141.9 | -178.7 | -58.2 | -86.2 | 0 | 0 | 0 | 112.6 | F621 L643 A645 I653 E670 T694 A695 | F621-Y655 HydrophobicContact CE1-CD1 4.24Å; F621-Y655 AromaticContact CE1-CE1 3.88Å; F621-Y655 HydrophobicContact CE1-CE1 3.88Å; F621-Y655 HydrophobicContact CZ-CD1 4.29Å; F621-Y655 HydrophobicContact CZ-CE1 4.25Å; L643-Y655 WeakPolarHBondContact O-CE1 3.38Å; L643-Y655 VanDerWaalsContact O-CZ 3.24Å; A645-Y655 HydrophobicContact CB-CE1 4.14Å; A645-Y655 PolarHBondContact N-OH 2.87Å; A645-Y655 PolarHBondContact O-OH 2.8Å; I653-Y655 HydrophobicContact CB-CE2 4.49Å; I653-Y655 HydrophobicContact CG2-CE1 4.09Å; I653-Y655 HydrophobicContact CG2-CE2 4.04Å; Y655-E670 PolarHBondContact N-O 3.28Å; Y655-E670 WeakPolarHBondContact O-CA 3.42Å; Y655-T694 VanDerWaalsContact CA-O 3.29Å; Y655-T694 WeakPolarHBondContact CA-O 3.33Å; Y655-A695 HydrophobicContact CD1-CB 4Å; Y655-A695 HydrophobicContact CE1-CB 3.82Å |
| 656 | A | 92.4 | Very high | 87 | Confident | 48 Ų | 48 | 72.3 Ų | 72.3 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 148.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V693 T694 | A656-V693 CarbonylContact O-C 3.59Å; A656-V693 VanDerWaalsContact O-CA 3.32Å; A656-V693 WeakPolarHBondContact O-CA 3.39Å; A656-V693 WeakPolarHBondContact O-CG1 3.4Å; A656-T694 PolarHBondContact N-O 2.81Å; A656-T694 VanDerWaalsContact N-O 3.11Å; A656-T694 PolarHBondContact O-N 2.88Å; A656-T694 PolarHBondContact O-OG1 2.75Å |
| 657 | I | 92.4 | Very high | 87.4 | Confident | 48 Ų | 48 | 72.2 Ų | 72.2 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 109.5 | 166.6 | -55.8 | 174.3 | 0 | 0 | 0 | 106.7 | N659 F666 L668 L675 L691 I692 V693 | I657-N659 WeakPolarHBondContact CG2-O 3.42Å; I657-F666 HydrophobicContact CD1-CB 4.33Å; I657-L668 HydrophobicContact CD1-CB 3.92Å; I657-L668 HydrophobicContact CG1-CB 3.83Å; I657-L668 HydrophobicContact CG1-CD2 3.73Å; I657-L668 HydrophobicContact CG1-CG 4.44Å; I657-L675 HydrophobicContact CD1-CD1 3.97Å; I657-L691 HydrophobicContact CD1-CD1 4.4Å; I657-L691 HydrophobicContact CG2-CB 4.4Å; I657-I692 CarbonylContact C-O 3.45Å; I657-V693 HydrophobicContact CG1-CG2 4.42Å |
| 658 | E | 90.6 | Very high | 88 | Confident | 131 Ų | 131 | 72.6 Ų | 72.6 | 61% | 0.612 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -43.1 | 178.5 | -178 | 178.8 | -146.5 | 0 | 0 | 111.1 | I692 T694 | E658-I692 HydrophobicContact CB-CB 4.44Å; E658-I692 HydrophobicContact CB-CG2 4.29Å; E658-I692 PolarHBondContact N-O 2.86Å; E658-I692 WeakPolarHBondContact OE2-CG2 3.47Å; E658-T694 HydrophobicContact CB-CG2 4.15Å |
| 659 | N | 90.1 | Very high | 88.9 | Confident | 107 Ų | 107 | 66.6 Ų | 66.6 | 57% | 0.572 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 166.6 | -176.8 | -158.4 | 0.8 | 0 | 0 | 0 | 111.6 | I657 L691 I692 | I657-N659 WeakPolarHBondContact CG2-O 3.42Å; N659-L691 CarbonylContact O-C 3.6Å; N659-L691 WeakPolarHBondContact O-CA 3.48Å; N659-I692 HydrophobicContact CB-CB 4.34Å; N659-I692 HydrophobicContact CB-CD1 4.17Å; N659-I692 HydrophobicContact CB-CG1 4.39Å; N659-I692 PolarHBondContact O-N 3.39Å |
| 660 | G | 87.5 | Confident | 89.4 | Confident | 18 Ų | 18 | 69.7 Ų | 69.7 | 19% | 0.186 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 104.1 | -9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | I690 L691 | G660-I690 WeakPolarHBondContact CA-O 3.25Å; G660-L691 WeakPolarHBondContact O-CD2 3.41Å |
| 661 | D | 89.6 | Confident | 89.9 | Confident | 22 Ų | 22 | 72.1 Ų | 72.1 | 12% | 0.118 | 39% | 0.39 | C | S | . | . | trans | -131.4 | 72.8 | 179 | -175.6 | 13.8 | 0 | 0 | 0 | 112.4 | Q663 R664 V665 F666 L691 | D661-Q663 VanDerWaalsContact C-N 3.28Å; D661-Q663 PolarHBondContact O-N 2.88Å; D661-R664 PolarHBondContact O-N 3.2Å; D661-R664 WeakPolarHBondContact OD1-CA 3.25Å; D661-R664 PolarHBondContact OD1-N 3.38Å; D661-R664 VanDerWaalsContact OD2-CA 3.3Å; D661-R664 WeakPolarHBondContact OD2-CA 3.18Å; D661-V665 VanDerWaalsContact CG-N 3.29Å; D661-V665 PolarHBondContact OD1-N 2.75Å; D661-V665 PolarHBondContact OD2-N 3.02Å; D661-F666 HydrophobicContact CB-CD2 4.25Å; D661-F666 PolarHBondContact OD2-N 2.86Å; D661-L691 HydrophobicContact CB-CD2 3.75Å | ||
| 662 | P | 85.4 | Confident | 90.3 | Very high | 118 Ų | 118 | 72.7 Ų | 72.7 | 77% | 0.766 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -28.8 | -177.3 | 27.2 | -34.4 | 0 | 0 | 0 | 113 | ||
| 663 | Q | 87.5 | Confident | 90.4 | Very high | 112 Ų | 112 | 67.4 Ų | 67.4 | 52% | 0.523 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -2.7 | -177.4 | -64.6 | -174.6 | 7 | 0 | 0 | 113.3 | D661 V665 K679 | D661-Q663 VanDerWaalsContact C-N 3.28Å; D661-Q663 PolarHBondContact O-N 2.88Å; Q663-V665 HydrophobicContact CB-CG2 3.89Å; Q663-K679 PolarHBondContact O-NZ 2.85Å |
| 664 | R | 89.6 | Confident | 90.6 | Very high | 198 Ų | 198 | 68.6 Ų | 68.6 | 75% | 0.747 | 37% | 0.367 | S | S | * | . | trans | 54.3 | 52.5 | -175.2 | -57.8 | -176.4 | -179.6 | -174.3 | -2.1 | 111.3 | D661 | D661-R664 PolarHBondContact O-N 3.2Å; D661-R664 WeakPolarHBondContact OD1-CA 3.25Å; D661-R664 PolarHBondContact OD1-N 3.38Å; D661-R664 VanDerWaalsContact OD2-CA 3.3Å; D661-R664 WeakPolarHBondContact OD2-CA 3.18Å | ||
| 665 | V | 91.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | trans | -75.2 | -33.4 | 176.1 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | D661 Q663 L677 G678 K679 L681 Y689 | D661-V665 VanDerWaalsContact CG-N 3.29Å; D661-V665 PolarHBondContact OD1-N 2.75Å; D661-V665 PolarHBondContact OD2-N 3.02Å; Q663-V665 HydrophobicContact CB-CG2 3.89Å; V665-L677 HydrophobicContact CG1-CD1 3.97Å; V665-G678 CarbonylContact O-C 3.51Å; V665-G678 WeakPolarHBondContact O-CA 3.29Å; V665-G678 PolarHBondContact O-N 3.09Å; V665-K679 HydrophobicContact CG1-CB 4.4Å; V665-K679 PolarHBondContact O-N 3.02Å; V665-K679 VanDerWaalsContact O-N 3.12Å; V665-L681 HydrophobicContact CG1-CD2 3.67Å; V665-Y689 HydrophobicContact CG2-CE1 4.18Å | ||
| 666 | F | 94.2 | Very high | 90.8 | Very high | 7 Ų | 7 | 65.2 Ų | 65.2 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 146.2 | -177.3 | -52.9 | -77.8 | 0 | 0 | 0 | 112 | L640 I657 D661 L675 S676 L677 L681 Y689 L691 I710 | L640-F666 HydrophobicContact CD1-CD1 3.61Å; L640-F666 HydrophobicContact CD1-CE1 3.59Å; I657-F666 HydrophobicContact CD1-CB 4.33Å; D661-F666 HydrophobicContact CB-CD2 4.25Å; D661-F666 PolarHBondContact OD2-N 2.86Å; F666-L675 HydrophobicContact CB-CD1 3.9Å; F666-S676 WeakPolarHBondContact CA-O 3.27Å; F666-L677 HydrophobicContact CD1-CD1 4.1Å; F666-L677 HydrophobicContact CE1-CD1 3.88Å; F666-L681 HydrophobicContact CE1-CD2 4.47Å; F666-L681 HydrophobicContact CZ-CD2 4.22Å; F666-Y689 AromaticContact CE2-CD1 3.74Å; F666-Y689 HydrophobicContact CE2-CD1 3.74Å; F666-Y689 AromaticContact CE2-CD2 3.88Å; F666-Y689 HydrophobicContact CE2-CD2 3.88Å; F666-Y689 HydrophobicContact CE2-CE1 4.25Å; F666-Y689 HydrophobicContact CE2-CE2 4.38Å; F666-Y689 AromaticContact CE2-CG 3.52Å; F666-Y689 HydrophobicContact CE2-CG 3.52Å; F666-Y689 HydrophobicContact CZ-CD1 4.47Å; F666-Y689 AromaticContact CZ-CD2 3.78Å; F666-Y689 HydrophobicContact CZ-CD2 3.78Å; F666-Y689 HydrophobicContact CZ-CE2 4.24Å; F666-Y689 AromaticContact CZ-CG 3.91Å; F666-Y689 HydrophobicContact CZ-CG 3.91Å; F666-L691 HydrophobicContact CB-CD1 4.44Å; F666-L691 HydrophobicContact CD2-CD1 3.88Å; F666-L691 HydrophobicContact CD2-CD2 4.02Å; F666-L691 HydrophobicContact CE2-CD1 4.39Å; F666-L691 HydrophobicContact CE2-CD2 4.25Å; F666-L691 HydrophobicContact CG-CD1 4.15Å; F666-I710 HydrophobicContact CD1-CD1 4Å; F666-I710 HydrophobicContact CD2-CD1 4.38Å; F666-I710 HydrophobicContact CE1-CD1 3.5Å; F666-I710 VanDerWaalsContact CE1-CD1 3.5Å; F666-I710 HydrophobicContact CE2-CD1 3.94Å; F666-I710 HydrophobicContact CG-CD1 4.42Å; F666-I710 HydrophobicContact CZ-CD1 3.47Å; F666-I710 VanDerWaalsContact CZ-CD1 3.47Å; F666-I710 HydrophobicContact CZ-CG2 4.29Å |
| 667 | N | 92.8 | Very high | 90.8 | Very high | 89 Ų | 89 | 63 Ų | 63 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.8 | 174.2 | -70 | -32.3 | 0 | 0 | 0 | 109.1 | S676 | N667-S676 PolarHBondContact N-O 2.79Å; N667-S676 PolarHBondContact O-N 3.41Å; N667-S676 PolarHBondContact O-OG 2.83Å |
| 668 | L | 93.5 | Very high | 90.7 | Very high | 29 Ų | 29 | 61.8 Ų | 61.8 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 126 | 173.8 | -179.3 | 65.3 | 0 | 0 | 0 | 110.3 | L643 I657 E670 I674 L675 V693 | L643-L668 HydrophobicContact CD1-CD1 4.26Å; I657-L668 HydrophobicContact CD1-CB 3.92Å; I657-L668 HydrophobicContact CG1-CB 3.83Å; I657-L668 HydrophobicContact CG1-CD2 3.73Å; I657-L668 HydrophobicContact CG1-CG 4.44Å; L668-E670 PolarHBondContact O-N 3.06Å; L668-I674 WeakPolarHBondContact CA-O 3.31Å; L668-L675 HydrophobicContact CB-CD1 4.09Å; L668-L675 HydrophobicContact CD1-CB 4.2Å; L668-L675 HydrophobicContact CD1-CD1 4.29Å; L668-V693 HydrophobicContact CD2-CG1 3.68Å; L668-V693 HydrophobicContact CD2-CG2 4.48Å |
| 669 | S | 92.3 | Very high | 90.8 | Very high | 41 Ų | 41 | 60.6 Ų | 60.6 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | trans | -75.6 | 117.3 | 173.6 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | T671 T672 G673 I674 | S669-T671 PolarHBondContact O-N 3.43Å; S669-T671 VanDerWaalsContact O-N 3.15Å; S669-T672 WeakPolarHBondContact CB-OG1 3.23Å; S669-T672 PolarHBondContact OG-N 3.14Å; S669-T672 PolarHBondContact OG-OG1 2.81Å; S669-G673 PolarHBondContact O-N 2.99Å; S669-I674 PolarHBondContact N-O 2.89Å | ||
| 670 | E | 89.5 | Confident | 90.8 | Very high | 142 Ų | 142 | 58.8 Ų | 58.8 | 66% | 0.664 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.5 | -176.1 | -65.3 | 178.6 | -173.2 | 0 | 0 | 114.2 | T654 Y655 L668 | T654-E670 WeakPolarHBondContact CA-O 3.39Å; Y655-E670 PolarHBondContact N-O 3.28Å; Y655-E670 WeakPolarHBondContact O-CA 3.42Å; L668-E670 PolarHBondContact O-N 3.06Å |
| 671 | T | 88.1 | Confident | 91 | Very high | 114 Ų | 114 | 58.5 Ų | 58.5 | 70% | 0.699 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -29.7 | -174.7 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | S669 | S669-T671 PolarHBondContact O-N 3.43Å; S669-T671 VanDerWaalsContact O-N 3.15Å |
| 672 | T | 88.8 | Confident | 91 | Very high | 61 Ų | 61 | 61.2 Ų | 61.2 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -13.5 | -175.2 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | N642 S669 I674 | N642-T672 PolarHBondContact OD1-O 2.8Å; S669-T672 WeakPolarHBondContact CB-OG1 3.23Å; S669-T672 PolarHBondContact OG-N 3.14Å; S669-T672 PolarHBondContact OG-OG1 2.81Å; T672-I674 PolarHBondContact O-N 3.16Å; T672-I674 WeakPolarHBondContact OG1-CD1 3.45Å; T672-I674 WeakPolarHBondContact OG1-CG1 3.29Å |
| 673 | G | 89.9 | Confident | 91.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | 70.8 | 13.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L643 S669 L675 | L643-G673 WeakPolarHBondContact CB-O 3.4Å; L643-G673 PolarHBondContact N-O 2.64Å; L643-G673 WeakPolarHBondContact O-CA 3.17Å; S669-G673 PolarHBondContact O-N 2.99Å; G673-L675 PolarHBondContact O-N 3.43Å | ||
| 674 | I | 93.2 | Very high | 91.5 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 118.2 | -179.1 | -63.8 | 173.4 | 0 | 0 | 0 | 109.4 | I639 L668 S669 T672 | I639-I674 HydrophobicContact CB-CG2 4.4Å; I639-I674 HydrophobicContact CD1-CG2 4.28Å; I639-I674 HydrophobicContact CG1-CG2 3.98Å; I639-I674 HydrophobicContact CG2-CG2 3.69Å; L668-I674 WeakPolarHBondContact CA-O 3.31Å; S669-I674 PolarHBondContact N-O 2.89Å; T672-I674 PolarHBondContact O-N 3.16Å; T672-I674 WeakPolarHBondContact OG1-CD1 3.45Å; T672-I674 WeakPolarHBondContact OG1-CG1 3.29Å |
| 675 | L | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.4 | 172.3 | -172.8 | 70.7 | 0 | 0 | 0 | 109.2 | L640 L641 I657 F666 L668 G673 L691 V708 I710 | L640-L675 PolarHBondContact N-O 2.85Å; L641-L675 HydrophobicContact CB-CB 4.19Å; L641-L675 HydrophobicContact CB-CD2 4.48Å; L641-L675 HydrophobicContact CD1-CD2 4.47Å; L641-L675 PolarHBondContact N-O 3.42Å; L641-L675 PolarHBondContact O-N 3.2Å; I657-L675 HydrophobicContact CD1-CD1 3.97Å; F666-L675 HydrophobicContact CB-CD1 3.9Å; L668-L675 HydrophobicContact CB-CD1 4.09Å; L668-L675 HydrophobicContact CD1-CB 4.2Å; L668-L675 HydrophobicContact CD1-CD1 4.29Å; G673-L675 PolarHBondContact O-N 3.43Å; L675-L691 HydrophobicContact CD1-CD1 4.17Å; L675-L691 HydrophobicContact CD2-CD1 3.93Å; L675-V708 HydrophobicContact CD2-CG1 4.28Å; L675-I710 HydrophobicContact CD2-CD1 4.18Å |
| 676 | S | 93.8 | Very high | 91.4 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 155.7 | -177.8 | 59.9 | 0 | 0 | 0 | 0 | 112 | A638 F666 N667 G678 | A638-S676 CarbonylContact O-C 3.46Å; A638-S676 WeakPolarHBondContact O-CA 3.47Å; A638-S676 WeakPolarHBondContact O-CB 3.34Å; F666-S676 WeakPolarHBondContact CA-O 3.27Å; N667-S676 PolarHBondContact N-O 2.79Å; N667-S676 PolarHBondContact O-N 3.41Å; N667-S676 PolarHBondContact O-OG 2.83Å; S676-G678 PolarHBondContact O-N 3.09Å |
| 677 | L | 93.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 119.5 | 179.2 | -172.7 | 64.2 | 0 | 0 | 0 | 111 | M634 G637 A638 L640 V665 F666 K679 L681 | M634-L677 HydrophobicContact CB-CD2 3.94Å; M634-L677 HydrophobicContact CG-CD2 3.85Å; M634-L677 WeakPolarHBondContact O-CD2 3.25Å; G637-L677 WeakPolarHBondContact CA-O 3.49Å; G637-L677 PolarHBondContact N-O 3.49Å; A638-L677 PolarHBondContact O-N 2.64Å; L640-L677 HydrophobicContact CD1-CB 4.36Å; V665-L677 HydrophobicContact CG1-CD1 3.97Å; F666-L677 HydrophobicContact CD1-CD1 4.1Å; F666-L677 HydrophobicContact CE1-CD1 3.88Å; L677-K679 WeakPolarHBondContact CD1-O 3.48Å; L677-K679 WeakPolarHBondContact CG-O 3.46Å; L677-L681 HydrophobicContact CD1-CD1 4.13Å; L677-L681 HydrophobicContact CD1-CD2 3.9Å; L677-L681 HydrophobicContact CD1-CG 3.81Å; L677-L681 HydrophobicContact CD2-CD1 4.32Å; L677-L681 HydrophobicContact CD2-CG 4.26Å |
| 678 | G | 89.7 | Confident | 91.1 | Very high | 23 Ų | 23 | 57 Ų | 57 | 24% | 0.237 | 31% | 0.313 | C | S | . | . | trans | -95.8 | -27.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V665 S676 | V665-G678 CarbonylContact O-C 3.51Å; V665-G678 WeakPolarHBondContact O-CA 3.29Å; V665-G678 PolarHBondContact O-N 3.09Å; S676-G678 PolarHBondContact O-N 3.09Å | ||
| 679 | K | 91.7 | Very high | 91 | Very high | 107 Ų | 107 | 56.2 Ų | 56.2 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -134 | 161.1 | 176.5 | -66.8 | 179.3 | -178 | 170.6 | 0 | 110.7 | Q663 V665 L677 | Q663-K679 PolarHBondContact O-NZ 2.85Å; V665-K679 HydrophobicContact CG1-CB 4.4Å; V665-K679 PolarHBondContact O-N 3.02Å; V665-K679 VanDerWaalsContact O-N 3.12Å; L677-K679 WeakPolarHBondContact CD1-O 3.48Å; L677-K679 WeakPolarHBondContact CG-O 3.46Å |
| 680 | A | 90.6 | Very high | 91 | Very high | 69 Ų | 69 | 58.2 Ų | 58.2 | 57% | 0.57 | 32% | 0.315 | S | S | * | . | trans | -61.5 | 145.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | I636 | I636-A680 HydrophobicContact CD1-CB 4.33Å; I636-A680 HydrophobicContact CG1-CB 4.49Å | ||
| 681 | L | 91.6 | Very high | 91.2 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | trans | -89.7 | 150.1 | 172.5 | -64.4 | 171.3 | 0 | 0 | 0 | 108.5 | V630 E632 V665 F666 L677 Y689 V712 | V630-L681 HydrophobicContact CB-CD1 4.22Å; V630-L681 HydrophobicContact CG1-CD1 3.57Å; E632-L681 HydrophobicContact CB-CB 4.18Å; V665-L681 HydrophobicContact CG1-CD2 3.67Å; F666-L681 HydrophobicContact CE1-CD2 4.47Å; F666-L681 HydrophobicContact CZ-CD2 4.22Å; L677-L681 HydrophobicContact CD1-CD1 4.13Å; L677-L681 HydrophobicContact CD1-CD2 3.9Å; L677-L681 HydrophobicContact CD1-CG 3.81Å; L677-L681 HydrophobicContact CD2-CD1 4.32Å; L677-L681 HydrophobicContact CD2-CG 4.26Å; L681-Y689 HydrophobicContact CD2-CE2 3.9Å; L681-V712 HydrophobicContact CB-CG1 4.27Å; L681-V712 HydrophobicContact CD1-CG1 4.41Å; L681-V712 HydrophobicContact CD1-CG2 4.39Å; L681-V712 HydrophobicContact CD2-CG2 4.42Å | ||
| 682 | D | 90.6 | Very high | 91.4 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | trans | -142.4 | 103.7 | 177.2 | 166.1 | -11.4 | 0 | 0 | 0 | 104.8 | E684 S685 T686 | D682-E684 VanDerWaalsContact C-N 3.32Å; D682-E684 PolarHBondContact OD1-N 2.73Å; D682-S685 PolarHBondContact O-N 2.84Å; D682-S685 PolarHBondContact O-OG 3.2Å; D682-S685 PolarHBondContact OD1-N 3.27Å; D682-T686 PolarHBondContact O-N 3.2Å; D682-T686 VanDerWaalsContact O-N 3.14Å | ||
| 683 | R | 92.2 | Very high | 91.6 | Very high | 33 Ų | 33 | 45.6 Ų | 45.6 | 13% | 0.125 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -34.3 | -171.9 | -168.1 | -154.1 | 57.6 | 69.5 | -8.9 | 111.2 | E632 S685 T686 D687 V712 D714 P749 D750 | E632-R683 HydrophobicContact CB-CB 4.44Å; E632-R683 WeakPolarHBondContact OE2-CB 3.33Å; E632-R683 PolarHBondContact OE2-N 3.41Å; R683-S685 PolarHBondContact O-N 2.68Å; R683-T686 CarbonylContact O-C 3.54Å; R683-T686 PolarHBondContact O-N 3.32Å; R683-D687 HydrophobicContact CG-CB 4.2Å; R683-D687 PolarHBondContact O-N 2.78Å; R683-V712 HydrophobicContact CB-CB 4.39Å; R683-V712 HydrophobicContact CB-CG1 3.79Å; R683-V712 HydrophobicContact CG-CB 4.06Å; R683-V712 HydrophobicContact CG-CG1 3.97Å; R683-D714 IonicContact CZ-OD1 3.84Å; R683-D714 IonicContact NE-OD1 3.28Å; R683-D714 PolarHBondContact NE-OD1 3.29Å; R683-D714 IonicContact NH2-OD1 3.47Å; R683-D714 PolarHBondContact NH2-OD1 3.3Å; R683-P749 PolarHBondContact NH2-O 2.8Å; R683-P749 VanDerWaalsContact NH2-O 3.17Å; R683-D750 VanDerWaalsContact NH2-C 3.29Å |
| 684 | E | 91.2 | Very high | 91.7 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -29.2 | 178.3 | -73.5 | 57.3 | -110.1 | 0 | 0 | 111.2 | D682 P749 | D682-E684 VanDerWaalsContact C-N 3.32Å; D682-E684 PolarHBondContact OD1-N 2.73Å; E684-P749 HydrophobicContact CG-CB 3.78Å; E684-P749 HydrophobicContact CG-CG 4.14Å |
| 685 | S | 89.1 | Confident | 91.6 | Very high | 70 Ų | 70 | 44 Ų | 44 | 49% | 0.49 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -42.4 | 174.8 | 79.9 | 0 | 0 | 0 | 0 | 114 | D682 R683 | D682-S685 PolarHBondContact O-N 2.84Å; D682-S685 PolarHBondContact O-OG 3.2Å; D682-S685 PolarHBondContact OD1-N 3.27Å; R683-S685 PolarHBondContact O-N 2.68Å |
| 686 | T | 89 | Confident | 91.4 | Very high | 40 Ų | 40 | 45 Ų | 45 | 25% | 0.245 | 25% | 0.245 | C | C | . | . | trans | -153.2 | 108.9 | -178.1 | -57.9 | 0 | 0 | 0 | 0 | 110.2 | D682 R683 Y689 | D682-T686 PolarHBondContact O-N 3.2Å; D682-T686 VanDerWaalsContact O-N 3.14Å; R683-T686 CarbonylContact O-C 3.54Å; R683-T686 PolarHBondContact O-N 3.32Å; T686-Y689 HydrophobicContact CG2-CD1 4.29Å; T686-Y689 HydrophobicContact CG2-CD2 4.37Å; T686-Y689 HydrophobicContact CG2-CE1 3.79Å; T686-Y689 HydrophobicContact CG2-CE2 3.87Å | ||
| 687 | D | 89.2 | Confident | 91 | Very high | 99 Ų | 99 | 45 Ų | 45 | 53% | 0.529 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -83.4 | -20.5 | -174.3 | 65.5 | -22 | 0 | 0 | 0 | 114.2 | R683 V712 | R683-D687 HydrophobicContact CG-CB 4.2Å; R683-D687 PolarHBondContact O-N 2.78Å; D687-V712 PolarHBondContact O-N 2.82Å |
| 688 | R | 91.8 | Very high | 90.4 | Very high | 140 Ų | 140 | 48.1 Ų | 48.1 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 137.4 | -176.1 | -175.9 | 174.7 | 61.3 | -174.1 | -2.8 | 113 | I690 N709 I710 | R688-I690 HydrophobicContact CG-CG1 4.32Å; R688-N709 WeakPolarHBondContact CD-OD1 3.43Å; R688-N709 WeakPolarHBondContact CG-OD1 3.1Å; R688-I710 WeakPolarHBondContact CA-O 3.13Å |
| 689 | Y | 92 | Very high | 89.8 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.2 | 171.1 | -61.2 | -93.5 | 0 | 0 | 0 | 110.7 | V665 F666 L681 T686 I710 V712 | V665-Y689 HydrophobicContact CG2-CE1 4.18Å; F666-Y689 AromaticContact CE2-CD1 3.74Å; F666-Y689 HydrophobicContact CE2-CD1 3.74Å; F666-Y689 AromaticContact CE2-CD2 3.88Å; F666-Y689 HydrophobicContact CE2-CD2 3.88Å; F666-Y689 HydrophobicContact CE2-CE1 4.25Å; F666-Y689 HydrophobicContact CE2-CE2 4.38Å; F666-Y689 AromaticContact CE2-CG 3.52Å; F666-Y689 HydrophobicContact CE2-CG 3.52Å; F666-Y689 HydrophobicContact CZ-CD1 4.47Å; F666-Y689 AromaticContact CZ-CD2 3.78Å; F666-Y689 HydrophobicContact CZ-CD2 3.78Å; F666-Y689 HydrophobicContact CZ-CE2 4.24Å; F666-Y689 AromaticContact CZ-CG 3.91Å; F666-Y689 HydrophobicContact CZ-CG 3.91Å; L681-Y689 HydrophobicContact CD2-CE2 3.9Å; T686-Y689 HydrophobicContact CG2-CD1 4.29Å; T686-Y689 HydrophobicContact CG2-CD2 4.37Å; T686-Y689 HydrophobicContact CG2-CE1 3.79Å; T686-Y689 HydrophobicContact CG2-CE2 3.87Å; Y689-I710 PolarHBondContact N-O 2.76Å; Y689-I710 PolarHBondContact O-N 2.92Å; Y689-V712 HydrophobicContact CD2-CG2 4.06Å; Y689-V712 HydrophobicContact CE2-CG2 3.94Å |
| 690 | I | 92.3 | Very high | 88.9 | Confident | 82 Ų | 82 | 54 Ų | 54 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 94.8 | 175.9 | -57.5 | 174.4 | 0 | 0 | 0 | 108 | G660 R688 T707 V708 | G660-I690 WeakPolarHBondContact CA-O 3.25Å; R688-I690 HydrophobicContact CG-CG1 4.32Å; I690-T707 HydrophobicContact CG2-CG2 3.56Å; I690-V708 CarbonylContact C-O 3.53Å |
| 691 | L | 92.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 133.3 | -178.7 | -43.9 | -178.6 | 0 | 0 | 0 | 110.3 | I657 N659 G660 D661 F666 L675 V693 T707 V708 I710 | I657-L691 HydrophobicContact CD1-CD1 4.4Å; I657-L691 HydrophobicContact CG2-CB 4.4Å; N659-L691 CarbonylContact O-C 3.6Å; N659-L691 WeakPolarHBondContact O-CA 3.48Å; G660-L691 WeakPolarHBondContact O-CD2 3.41Å; D661-L691 HydrophobicContact CB-CD2 3.75Å; F666-L691 HydrophobicContact CB-CD1 4.44Å; F666-L691 HydrophobicContact CD2-CD1 3.88Å; F666-L691 HydrophobicContact CD2-CD2 4.02Å; F666-L691 HydrophobicContact CE2-CD1 4.39Å; F666-L691 HydrophobicContact CE2-CD2 4.25Å; F666-L691 HydrophobicContact CG-CD1 4.15Å; L675-L691 HydrophobicContact CD1-CD1 4.17Å; L675-L691 HydrophobicContact CD2-CD1 3.93Å; L691-V693 HydrophobicContact CB-CG2 4.37Å; L691-T707 CarbonylContact O-C 3.59Å; L691-T707 WeakPolarHBondContact O-CA 3.36Å; L691-V708 HydrophobicContact CB-CB 4.15Å; L691-V708 PolarHBondContact N-O 2.89Å; L691-V708 PolarHBondContact O-N 3.32Å; L691-I710 HydrophobicContact CD1-CD1 3.75Å; L691-I710 HydrophobicContact CG-CD1 4.29Å |
| 692 | I | 92.5 | Very high | 87.6 | Confident | 53 Ų | 53 | 57.7 Ų | 57.7 | 27% | 0.272 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 113.4 | 168.6 | -57.4 | -179.7 | 0 | 0 | 0 | 106.9 | I657 E658 N659 | I657-I692 CarbonylContact C-O 3.45Å; E658-I692 HydrophobicContact CB-CB 4.44Å; E658-I692 HydrophobicContact CB-CG2 4.29Å; E658-I692 PolarHBondContact N-O 2.86Å; E658-I692 WeakPolarHBondContact OE2-CG2 3.47Å; N659-I692 HydrophobicContact CB-CB 4.34Å; N659-I692 HydrophobicContact CB-CD1 4.17Å; N659-I692 HydrophobicContact CB-CG1 4.39Å; N659-I692 PolarHBondContact O-N 3.39Å |
| 693 | V | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.8 | -178.9 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | F621 L643 A656 I657 L668 L691 T705 A706 V708 | F621-V693 HydrophobicContact CZ-CG1 4.48Å; L643-V693 HydrophobicContact CD1-CB 4.08Å; L643-V693 HydrophobicContact CD1-CG1 3.78Å; L643-V693 HydrophobicContact CD1-CG2 3.85Å; A656-V693 CarbonylContact O-C 3.59Å; A656-V693 VanDerWaalsContact O-CA 3.32Å; A656-V693 WeakPolarHBondContact O-CA 3.39Å; A656-V693 WeakPolarHBondContact O-CG1 3.4Å; I657-V693 HydrophobicContact CG1-CG2 4.42Å; L668-V693 HydrophobicContact CD2-CG1 3.68Å; L668-V693 HydrophobicContact CD2-CG2 4.48Å; L691-V693 HydrophobicContact CB-CG2 4.37Å; V693-T705 CarbonylContact O-C 3.59Å; V693-T705 WeakPolarHBondContact O-CA 3.34Å; V693-A706 PolarHBondContact N-O 2.81Å; V693-A706 PolarHBondContact O-N 2.95Å; V693-V708 HydrophobicContact CG2-CG2 3.95Å |
| 694 | T | 91.4 | Very high | 87.2 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 14% | 0.135 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 140.2 | 177.3 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | Y655 A656 E658 T703 S704 T705 | Y655-T694 VanDerWaalsContact CA-O 3.29Å; Y655-T694 WeakPolarHBondContact CA-O 3.33Å; A656-T694 PolarHBondContact N-O 2.81Å; A656-T694 VanDerWaalsContact N-O 3.11Å; A656-T694 PolarHBondContact O-N 2.88Å; A656-T694 PolarHBondContact O-OG1 2.75Å; E658-T694 HydrophobicContact CB-CG2 4.15Å; T694-T703 HydrophobicContact CG2-CG2 4.29Å; T694-S704 CarbonylContact C-O 3.57Å; T694-S704 WeakPolarHBondContact CA-O 3.48Å; T694-T705 HydrophobicContact CG2-CG2 3.95Å |
| 695 | A | 90.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | F621 A645 I653 T654 Y655 T703 S704 | F621-A695 HydrophobicContact CD2-CB 4.42Å; F621-A695 HydrophobicContact CE1-CB 4.02Å; F621-A695 HydrophobicContact CE2-CB 3.54Å; F621-A695 HydrophobicContact CZ-CB 3.3Å; A645-A695 HydrophobicContact CB-CB 3.67Å; I653-A695 HydrophobicContact CG2-CB 3.68Å; T654-A695 WeakPolarHBondContact O-CA 3.41Å; Y655-A695 HydrophobicContact CD1-CB 4Å; Y655-A695 HydrophobicContact CE1-CB 3.82Å; A695-T703 CarbonylContact O-C 3.51Å; A695-T703 WeakPolarHBondContact O-CA 3.4Å; A695-S704 PolarHBondContact N-O 2.82Å; A695-S704 PolarHBondContact O-N 2.81Å |
| 696 | S | 89.6 | Confident | 87.3 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.8 | -177.6 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | I653 T654 G698 G702 T703 | I653-S696 CarbonylContact C-O 3.58Å; I653-S696 WeakPolarHBondContact CA-O 3.46Å; T654-S696 PolarHBondContact N-O 2.83Å; T654-S696 PolarHBondContact O-N 2.82Å; T654-S696 PolarHBondContact OG1-O 2.88Å; S696-G698 PolarHBondContact OG-N 2.86Å; S696-G702 WeakPolarHBondContact CA-O 3.26Å; S696-T703 PolarHBondContact OG-OG1 3.4Å |
| 697 | D | 86.1 | Confident | 87.4 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | trans | -82.3 | 0.5 | 169.3 | 68.3 | 1.4 | 0 | 0 | 0 | 113.1 | P619 D651 R699 G702 | P619-D697 HydrophobicContact CG-CB 3.77Å; D651-D697 HydrophobicContact CB-CB 4.05Å; D697-R699 VanDerWaalsContact OD1-CB 3.26Å; D697-R699 WeakPolarHBondContact OD1-CB 3.43Å; D697-R699 WeakPolarHBondContact OD1-CG 3.36Å; D697-R699 PolarHBondContact OD1-N 3.44Å; D697-R699 IonicContact OD2-NE 3.49Å; D697-G702 PolarHBondContact N-O 2.88Å; D697-G702 VanDerWaalsContact OD1-CA 3.28Å; D697-G702 WeakPolarHBondContact OD1-CA 3.43Å | ||
| 698 | G | 80.8 | Confident | 87.6 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 89.6 | -0 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S696 | S696-G698 PolarHBondContact OG-N 2.86Š|
| 699 | R | 76.3 | Confident | 87.6 | Confident | 127 Ų | 127 | 45 Ų | 45 | 48% | 0.479 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -96.3 | 155.2 | 176.2 | -55.3 | -179.3 | -160.2 | -140 | 6.4 | 111.7 | D651 D697 D701 G702 | D651-R699 IonicContact OD1-NH2 2.79Å; D651-R699 IonicContact OD2-CZ 3.89Å; D651-R699 IonicContact OD2-NE 2.7Å; D651-R699 PolarHBondContact OD2-NE 2.94Å; D651-R699 IonicContact OD2-NH2 3.49Å; D651-R699 PolarHBondContact OD2-NH2 2.77Å; D697-R699 VanDerWaalsContact OD1-CB 3.26Å; D697-R699 WeakPolarHBondContact OD1-CB 3.43Å; D697-R699 WeakPolarHBondContact OD1-CG 3.36Å; D697-R699 PolarHBondContact OD1-N 3.44Å; D697-R699 IonicContact OD2-NE 3.49Å; R699-D701 VanDerWaalsContact C-N 3.28Å; R699-D701 PolarHBondContact O-N 2.6Å; R699-G702 PolarHBondContact O-N 2.83Å |
| 700 | P | 74.3 | Confident | 87.6 | Confident | 127 Ų | 127 | 44.3 Ų | 44.3 | 83% | 0.825 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -38 | -178.7 | -21.6 | 31.7 | 0 | 0 | 0 | 113.6 | ||
| 701 | D | 73.6 | Confident | 87.6 | Confident | 155 Ų | 155 | 42.8 Ų | 42.8 | 83% | 0.829 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.8 | -177.7 | -53.1 | -33.1 | 0 | 0 | 0 | 112.4 | R699 | R699-D701 VanDerWaalsContact C-N 3.28Å; R699-D701 PolarHBondContact O-N 2.6Å |
| 702 | G | 81.4 | Confident | 87.5 | Confident | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | trans | -104 | 36.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P619 S696 D697 R699 | P619-G702 WeakPolarHBondContact CD-O 3.48Å; S696-G702 WeakPolarHBondContact CA-O 3.26Å; D697-G702 PolarHBondContact N-O 2.88Å; D697-G702 VanDerWaalsContact OD1-CA 3.28Å; D697-G702 WeakPolarHBondContact OD1-CA 3.43Å; R699-G702 PolarHBondContact O-N 2.83Å | ||
| 703 | T | 87.1 | Confident | 87.4 | Confident | 68 Ų | 68 | 42.6 Ų | 42.6 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.4 | 177 | -53.7 | 0 | 0 | 0 | 0 | 110.1 | T694 A695 S696 | T694-T703 HydrophobicContact CG2-CG2 4.29Å; A695-T703 CarbonylContact O-C 3.51Å; A695-T703 WeakPolarHBondContact O-CA 3.4Å; S696-T703 PolarHBondContact OG-OG1 3.4Å |
| 704 | S | 87.5 | Confident | 87.3 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 152.6 | 170.4 | 61.4 | 0 | 0 | 0 | 0 | 110.8 | P619 T694 A695 | P619-S704 WeakPolarHBondContact O-CB 3.35Å; P619-S704 PolarHBondContact O-OG 2.91Å; T694-S704 CarbonylContact C-O 3.57Å; T694-S704 WeakPolarHBondContact CA-O 3.48Å; A695-S704 PolarHBondContact N-O 2.82Å; A695-S704 PolarHBondContact O-N 2.81Å |
| 705 | T | 90.8 | Very high | 87.2 | Confident | 77 Ų | 77 | 45.5 Ų | 45.5 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 140.4 | -178 | 51.9 | 0 | 0 | 0 | 0 | 109.9 | V693 T694 | V693-T705 CarbonylContact O-C 3.59Å; V693-T705 WeakPolarHBondContact O-CA 3.34Å; T694-T705 HydrophobicContact CG2-CG2 3.95Å |
| 706 | A | 90.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F621 L624 Y626 V693 | F621-A706 HydrophobicContact CB-CB 4.28Å; F621-A706 HydrophobicContact CD1-CB 4.12Å; F621-A706 HydrophobicContact CD2-CB 3.56Å; F621-A706 HydrophobicContact CE1-CB 4.31Å; F621-A706 HydrophobicContact CE2-CB 3.76Å; F621-A706 HydrophobicContact CG-CB 3.74Å; F621-A706 HydrophobicContact CZ-CB 4.12Å; L624-A706 WeakPolarHBondContact O-CA 3.39Å; Y626-A706 HydrophobicContact CD2-CB 4.18Å; Y626-A706 HydrophobicContact CE2-CB 3.83Å; V693-A706 PolarHBondContact N-O 2.81Å; V693-A706 PolarHBondContact O-N 2.95Å |
| 707 | T | 91.6 | Very high | 87.3 | Confident | 45 Ų | 45 | 49.7 Ų | 49.7 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.8 | 177.6 | -45.7 | 0 | 0 | 0 | 0 | 109.2 | L624 M625 Y626 I690 L691 | L624-T707 PolarHBondContact O-N 2.96Å; M625-T707 CarbonylContact C-O 3.55Å; M625-T707 VanDerWaalsContact CA-O 3.29Å; M625-T707 WeakPolarHBondContact CA-O 3.48Å; Y626-T707 PolarHBondContact N-O 2.87Å; I690-T707 HydrophobicContact CG2-CG2 3.56Å; L691-T707 CarbonylContact O-C 3.59Å; L691-T707 WeakPolarHBondContact O-CA 3.36Å |
| 708 | V | 92.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 109.3 | 175.3 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | Y626 L628 L641 L643 L675 I690 L691 V693 I710 | Y626-V708 HydrophobicContact CD2-CG2 4.27Å; Y626-V708 CarbonylContact O-C 3.54Å; Y626-V708 WeakPolarHBondContact O-CA 3.46Å; L628-V708 HydrophobicContact CD2-CG1 3.73Å; L641-V708 HydrophobicContact CD1-CG1 3.41Å; L641-V708 VanDerWaalsContact CD1-CG1 3.41Å; L641-V708 HydrophobicContact CD1-CG2 4.38Å; L643-V708 HydrophobicContact CD1-CG2 4.01Å; L643-V708 HydrophobicContact CD2-CG2 4.08Å; L675-V708 HydrophobicContact CD2-CG1 4.28Å; I690-V708 CarbonylContact C-O 3.53Å; L691-V708 HydrophobicContact CB-CB 4.15Å; L691-V708 PolarHBondContact N-O 2.89Å; L691-V708 PolarHBondContact O-N 3.32Å; V693-V708 HydrophobicContact CG2-CG2 3.95Å; V708-I710 HydrophobicContact CG1-CD1 4.41Å; V708-I710 HydrophobicContact CG1-CG1 3.99Å |
| 709 | N | 92.3 | Very high | 88 | Confident | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 111.3 | 175.5 | -175.8 | 40.9 | 0 | 0 | 0 | 109.6 | Y626 S627 L628 R688 | Y626-N709 PolarHBondContact O-N 2.85Å; S627-N709 WeakPolarHBondContact CA-O 3.28Å; L628-N709 PolarHBondContact N-O 2.88Å; R688-N709 WeakPolarHBondContact CD-OD1 3.43Å; R688-N709 WeakPolarHBondContact CG-OD1 3.1Å |
| 710 | I | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 111.3 | 177 | -55.6 | 173.7 | 0 | 0 | 0 | 107.4 | L628 V630 L640 F666 L675 R688 Y689 L691 V708 | L628-I710 HydrophobicContact CD2-CG1 3.69Å; L628-I710 HydrophobicContact CG-CG1 4.23Å; L628-I710 WeakPolarHBondContact O-CA 3.4Å; V630-I710 HydrophobicContact CB-CG2 4.1Å; V630-I710 HydrophobicContact CG2-CG2 3.74Å; L640-I710 HydrophobicContact CD1-CD1 4.48Å; F666-I710 HydrophobicContact CD1-CD1 4Å; F666-I710 HydrophobicContact CD2-CD1 4.38Å; F666-I710 HydrophobicContact CE1-CD1 3.5Å; F666-I710 VanDerWaalsContact CE1-CD1 3.5Å; F666-I710 HydrophobicContact CE2-CD1 3.94Å; F666-I710 HydrophobicContact CG-CD1 4.42Å; F666-I710 HydrophobicContact CZ-CD1 3.47Å; F666-I710 VanDerWaalsContact CZ-CD1 3.47Å; F666-I710 HydrophobicContact CZ-CG2 4.29Å; L675-I710 HydrophobicContact CD2-CD1 4.18Å; R688-I710 WeakPolarHBondContact CA-O 3.13Å; Y689-I710 PolarHBondContact N-O 2.76Å; Y689-I710 PolarHBondContact O-N 2.92Å; L691-I710 HydrophobicContact CD1-CD1 3.75Å; L691-I710 HydrophobicContact CG-CD1 4.29Å; V708-I710 HydrophobicContact CG1-CD1 4.41Å; V708-I710 HydrophobicContact CG1-CG1 3.99Å |
| 711 | V | 91.3 | Very high | 89.8 | Confident | 50 Ų | 50 | 41.9 Ų | 41.9 | 30% | 0.303 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 124.5 | 171.4 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | L628 E629 V630 | L628-V711 PolarHBondContact O-N 2.82Å; E629-V711 WeakPolarHBondContact CA-O 3.46Å; E629-V711 HydrophobicContact CG-CB 4.34Å; V630-V711 PolarHBondContact N-O 2.95Å |
| 712 | V | 92 | Very high | 90.7 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 118 | 177 | -174.6 | 0 | 0 | 0 | 0 | 108 | V630 E632 L681 R683 D687 Y689 | V630-V712 CarbonylContact O-C 3.54Å; V630-V712 VanDerWaalsContact O-CA 3.25Å; V630-V712 WeakPolarHBondContact O-CA 3.49Å; E632-V712 HydrophobicContact CB-CG1 3.76Å; L681-V712 HydrophobicContact CB-CG1 4.27Å; L681-V712 HydrophobicContact CD1-CG1 4.41Å; L681-V712 HydrophobicContact CD1-CG2 4.39Å; L681-V712 HydrophobicContact CD2-CG2 4.42Å; R683-V712 HydrophobicContact CB-CB 4.39Å; R683-V712 HydrophobicContact CB-CG1 3.79Å; R683-V712 HydrophobicContact CG-CB 4.06Å; R683-V712 HydrophobicContact CG-CG1 3.97Å; D687-V712 PolarHBondContact O-N 2.82Å; Y689-V712 HydrophobicContact CD2-CG2 4.06Å; Y689-V712 HydrophobicContact CE2-CG2 3.94Å |
| 713 | T | 89.8 | Confident | 91.2 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 27% | 0.27 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 133 | 179 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | E629 V630 S631 E632 | E629-T713 HydrophobicContact CB-CG2 3.75Å; E629-T713 HydrophobicContact CG-CG2 4Å; V630-T713 PolarHBondContact O-N 3.32Å; S631-T713 WeakPolarHBondContact CA-OG1 3.38Å; S631-T713 PolarHBondContact N-OG1 2.79Å; E632-T713 PolarHBondContact N-O 3.23Å; E632-T713 VanDerWaalsContact N-O 3.15Å |
| 714 | D | 90.9 | Very high | 91.2 | Very high | 36 Ų | 36 | 40.3 Ų | 40.3 | 19% | 0.193 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -64 | 139.3 | -176.9 | -173.6 | 85 | 0 | 0 | 0 | 112.2 | R683 A751 N754 | R683-D714 IonicContact CZ-OD1 3.84Å; R683-D714 IonicContact NE-OD1 3.28Å; R683-D714 PolarHBondContact NE-OD1 3.29Å; R683-D714 IonicContact NH2-OD1 3.47Å; R683-D714 PolarHBondContact NH2-OD1 3.3Å; D714-A751 HydrophobicContact CB-CB 3.96Å; D714-A751 VanDerWaalsContact CG-N 3.33Å; D714-A751 PolarHBondContact OD1-N 2.91Å; D714-A751 PolarHBondContact OD2-N 3.47Å; D714-N754 WeakPolarHBondContact OD2-CB 3.44Å; D714-N754 PolarHBondContact OD2-ND2 3.32Å |
| 715 | V | 89.2 | Confident | 91.1 | Very high | 47 Ų | 47 | 49.3 Ų | 49.3 | 29% | 0.285 | 27% | 0.272 | S | S | . | . | trans | -125.8 | 130.9 | 171.3 | 175.4 | 0 | 0 | 0 | 0 | 106.7 | S631 E632 A633 D717 | S631-V715 WeakPolarHBondContact OG-CG2 3.35Å; E632-V715 HydrophobicContact CG-CB 3.91Å; E632-V715 HydrophobicContact CG-CG2 3.91Å; E632-V715 PolarHBondContact OE1-N 3.08Å; A633-V715 HydrophobicContact CB-CG2 4.02Å; V715-D717 VanDerWaalsContact C-N 3.28Å; V715-D717 PolarHBondContact O-N 3.35Å | ||
| 716 | N | 91.8 | Very high | 90.9 | Very high | 30 Ų | 30 | 47.3 Ų | 47.3 | 16% | 0.16 | 26% | 0.258 | C | S | . | . | trans | -64.6 | 85.7 | 177 | -177.1 | -10.7 | 0 | 0 | 0 | 111.4 | N718 D750 N754 D798 A800 R804 | N716-N718 PolarHBondContact OD1-O 3.19Å; N716-N718 VanDerWaalsContact OD1-O 3.06Å; N716-D750 VanDerWaalsContact CA-OD2 3.31Å; N716-D750 WeakPolarHBondContact CA-OD2 3.48Å; N716-D750 PolarHBondContact OD1-OD2 2.87Å; N716-N754 HydrophobicContact CB-CB 4.02Å; N716-D798 VanDerWaalsContact ND2-CG 3.34Å; N716-D798 PolarHBondContact ND2-OD1 2.7Å; N716-D798 PolarHBondContact ND2-OD2 2.67Å; N716-A800 HydrophobicContact CB-CB 4.44Å; N716-A800 WeakPolarHBondContact ND2-CB 3.41Å; N716-R804 WeakPolarHBondContact OD1-CD 3.34Å | ||
| 717 | D | 90 | Very high | 90.8 | Very high | 79 Ų | 79 | 51.2 Ų | 51.2 | 42% | 0.422 | 28% | 0.283 | S | S | . | . | trans | -121.3 | -3.4 | -176 | 92.1 | -25 | 0 | 0 | 0 | 113.4 | V715 D750 R804 | V715-D717 VanDerWaalsContact C-N 3.28Å; V715-D717 PolarHBondContact O-N 3.35Å; D717-D750 PolarHBondContact N-OD2 3.36Å; D717-R804 VanDerWaalsContact CA-NH1 3.3Å; D717-R804 PolarHBondContact O-NH1 2.93Å | ||
| 718 | N | 90.7 | Very high | 90.7 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | trans | -103.8 | 171.7 | 163.4 | -62.4 | -76.2 | 0 | 0 | 0 | 111.3 | N716 P749 D750 R804 | N716-N718 PolarHBondContact OD1-O 3.19Å; N716-N718 VanDerWaalsContact OD1-O 3.06Å; N718-P749 HydrophobicContact CB-CG 3.59Å; N718-D750 WeakPolarHBondContact CB-OD1 3.49Å; N718-D750 PolarHBondContact N-OD2 3.26Å; N718-D750 PolarHBondContact ND2-OD1 2.89Å; N718-R804 VanDerWaalsContact C-NH1 3.34Å; N718-R804 VanDerWaalsContact O-CD 3.31Å; N718-R804 WeakPolarHBondContact O-CD 3.48Å; N718-R804 PolarHBondContact O-NH1 2.98Å | ||
| 719 | A | 91.3 | Very high | 90.6 | Very high | 34 Ų | 34 | 61.8 Ų | 61.8 | 28% | 0.281 | 33% | 0.327 | S | S | . | . | trans | -136.1 | 154 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | V721 D748 R804 | A719-V721 WeakPolarHBondContact O-CG2 3.33Å; A719-V721 PolarHBondContact O-N 2.97Å; A719-D748 WeakPolarHBondContact CA-OD2 3.14Å; A719-R804 HydrophobicContact CB-CB 3.85Å | ||
| 720 | P | 95.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | trans | -59.9 | 132.2 | -175.1 | -25.8 | 33.8 | 0 | 0 | 0 | 111.2 | A746 D748 V757 A796 D798 S806 | P720-A746 HydrophobicContact CB-CB 4.49Å; P720-D748 HydrophobicContact CB-CB 4.42Å; P720-D748 WeakPolarHBondContact CD-OD2 3.27Å; P720-D748 HydrophobicContact CG-CB 4.29Å; P720-D748 WeakPolarHBondContact CG-OD2 3.45Å; P720-V757 HydrophobicContact CB-CG1 4.36Å; P720-V757 HydrophobicContact CB-CG2 4.06Å; P720-V757 HydrophobicContact CG-CG2 4.33Å; P720-A796 HydrophobicContact CB-CB 3.94Å; P720-D798 HydrophobicContact CG-CB 4.15Å; P720-S806 WeakPolarHBondContact O-CB 3.28Å; P720-S806 PolarHBondContact O-OG 2.77Å | ||
| 721 | V | 92.7 | Very high | 90.7 | Very high | 92 Ų | 92 | 64.4 Ų | 64.4 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.2 | -179.5 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | A719 A746 T747 | A719-V721 WeakPolarHBondContact O-CG2 3.33Å; A719-V721 PolarHBondContact O-N 2.97Å; V721-A746 CarbonylContact O-C 3.54Å; V721-A746 WeakPolarHBondContact O-CA 3.4Å; V721-A746 WeakPolarHBondContact O-CB 3.24Å; V721-T747 PolarHBondContact N-O 2.89Å; V721-T747 PolarHBondContact O-N 3.45Å |
| 722 | F | 93.8 | Very high | 90.7 | Very high | 23 Ų | 23 | 62.3 Ų | 62.3 | 10% | 0.101 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 143.6 | 172.4 | -74 | -78.8 | 0 | 0 | 0 | 112 | V744 R745 A746 Y759 V794 A796 S806 L808 | F722-V744 HydrophobicContact CD1-CB 4.28Å; F722-V744 HydrophobicContact CE1-CB 4.07Å; F722-V744 HydrophobicContact CE1-CG2 4Å; F722-R745 WeakPolarHBondContact CA-O 3.43Å; F722-A746 HydrophobicContact CD1-CB 3.83Å; F722-A746 HydrophobicContact CE1-CB 4.11Å; F722-A746 HydrophobicContact CG-CB 4.11Å; F722-Y759 HydrophobicContact CE1-CD1 4.31Å; F722-Y759 HydrophobicContact CE1-CE1 4.05Å; F722-V794 HydrophobicContact CE1-CG1 4.35Å; F722-V794 HydrophobicContact CZ-CB 4.41Å; F722-V794 HydrophobicContact CZ-CG1 4.14Å; F722-A796 HydrophobicContact CE1-CB 4.11Å; F722-A796 HydrophobicContact CE2-CB 3.73Å; F722-A796 HydrophobicContact CZ-CB 3.47Å; F722-A796 VanDerWaalsContact CZ-CB 3.47Å; F722-S806 WeakPolarHBondContact CD2-OG 3.46Å; F722-S806 WeakPolarHBondContact CE2-OG 3.38Å; F722-L808 HydrophobicContact CB-CD2 4.41Å; F722-L808 HydrophobicContact CD1-CB 4.31Å; F722-L808 HydrophobicContact CD1-CD2 3.96Å; F722-L808 HydrophobicContact CD2-CB 3.74Å; F722-L808 HydrophobicContact CE1-CB 4.34Å; F722-L808 HydrophobicContact CE1-CD2 4.39Å; F722-L808 HydrophobicContact CE2-CB 3.76Å; F722-L808 HydrophobicContact CG-CB 4.02Å; F722-L808 HydrophobicContact CG-CD2 4.11Å; F722-L808 HydrophobicContact CZ-CB 4.06Å |
| 723 | D | 90.4 | Very high | 90.6 | Very high | 70 Ų | 70 | 64.6 Ų | 64.6 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | trans | -59.9 | 121.3 | 175.2 | 179.2 | -8.5 | 0 | 0 | 0 | 110.7 | Y725 L726 R745 | D723-Y725 PolarHBondContact O-N 2.6Å; D723-Y725 VanDerWaalsContact O-N 3.15Å; D723-Y725 WeakPolarHBondContact OD1-CD2 3.5Å; D723-Y725 PolarHBondContact OD1-N 2.8Å; D723-L726 HydrophobicContact CB-CD1 3.94Å; D723-L726 HydrophobicContact CB-CG 3.91Å; D723-L726 WeakPolarHBondContact O-CD1 3.29Å; D723-L726 WeakPolarHBondContact O-CG 3.44Å; D723-L726 PolarHBondContact O-N 3.33Å; D723-R745 PolarHBondContact N-O 3.44Å | ||
| 724 | P | 87.1 | Confident | 90.7 | Very high | 100 Ų | 100 | 62.5 Ų | 62.5 | 65% | 0.649 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16 | -176 | 26 | -35.1 | 0 | 0 | 0 | 114.4 | ||
| 725 | Y | 86.4 | Confident | 90.4 | Very high | 209 Ų | 209 | 63.6 Ų | 63.6 | 82% | 0.82 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 4 | -177 | -57.3 | -73.2 | 0 | 0 | 0 | 114.3 | D723 | D723-Y725 PolarHBondContact O-N 2.6Å; D723-Y725 VanDerWaalsContact O-N 3.15Å; D723-Y725 WeakPolarHBondContact OD1-CD2 3.5Å; D723-Y725 PolarHBondContact OD1-N 2.8Å |
| 726 | L | 86.1 | Confident | 90.1 | Very high | 34 Ų | 34 | 66.5 Ų | 66.5 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -67.3 | 138.1 | 179.4 | -67.4 | 166.5 | 0 | 0 | 0 | 112.3 | D723 R728 V744 L808 | D723-L726 HydrophobicContact CB-CD1 3.94Å; D723-L726 HydrophobicContact CB-CG 3.91Å; D723-L726 WeakPolarHBondContact O-CD1 3.29Å; D723-L726 WeakPolarHBondContact O-CG 3.44Å; D723-L726 PolarHBondContact O-N 3.33Å; L726-R728 PolarHBondContact O-N 3.47Å; L726-V744 HydrophobicContact CD1-CB 4.26Å; L726-L808 HydrophobicContact CD1-CD2 4.41Å |
| 727 | P | 87.4 | Confident | 89.7 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 53% | 0.532 | 36% | 0.36 | S | S | . | . | trans | -67.1 | 124.4 | 174.6 | 27.4 | -32.3 | 0 | 0 | 0 | 110.4 | L730 | P727-L730 HydrophobicContact CB-CD2 4.29Å; P727-L730 HydrophobicContact CG-CD2 4.07Å | ||
| 728 | R | 89.6 | Confident | 89.6 | Confident | 142 Ų | 142 | 67.8 Ų | 67.8 | 54% | 0.536 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -88 | -20.9 | 179.1 | -61.3 | -173.8 | -176.5 | -137.1 | -1.1 | 113.7 | L726 L810 Y811 | L726-R728 PolarHBondContact O-N 3.47Å; R728-L810 CarbonylContact O-C 3.53Å; R728-L810 WeakPolarHBondContact O-CA 3.37Å; R728-Y811 PolarHBondContact O-N 2.89Å |
| 729 | N | 92.3 | Very high | 89.5 | Confident | 125 Ų | 125 | 65.6 Ų | 65.6 | 67% | 0.668 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114.9 | 177.2 | -62.9 | -14.5 | 0 | 0 | 0 | 108 | Y811 | N729-Y811 CarbonylContact C-O 3.58Å; N729-Y811 WeakPolarHBondContact CA-O 3.33Å |
| 730 | L | 93.2 | Very high | 89.6 | Confident | 29 Ų | 29 | 69.5 Ų | 69.5 | 15% | 0.152 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 162.5 | -180 | -57 | 177.3 | 0 | 0 | 0 | 109 | P727 V741 L810 Y811 I812 K813 | P727-L730 HydrophobicContact CB-CD2 4.29Å; P727-L730 HydrophobicContact CG-CD2 4.07Å; L730-V741 HydrophobicContact CB-CG1 4.16Å; L730-V741 HydrophobicContact CD1-CG1 4.15Å; L730-L810 HydrophobicContact CD1-CD1 3.99Å; L730-Y811 PolarHBondContact N-O 3.23Å; L730-I812 HydrophobicContact CB-CG1 4.39Å; L730-I812 WeakPolarHBondContact O-CA 3.43Å; L730-K813 PolarHBondContact O-N 2.75Å |
| 731 | S | 92.2 | Very high | 89.4 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.9 | 174.7 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | K813 | S731-K813 CarbonylContact C-O 3.5Å; S731-K813 WeakPolarHBondContact CA-O 3.3Å |
| 732 | V | 93.3 | Very high | 89.4 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 4% | 0.036 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.3 | 176.7 | 66.9 | 0 | 0 | 0 | 0 | 108.7 | A739 V741 T778 L782 I812 K813 V814 L815 | V732-A739 HydrophobicContact CG2-CB 3.78Å; V732-V741 HydrophobicContact CB-CG2 4.17Å; V732-V741 HydrophobicContact CG2-CG2 4.03Å; V732-T778 HydrophobicContact CG2-CG2 3.91Å; V732-L782 HydrophobicContact CG1-CD1 3.75Å; V732-I812 HydrophobicContact CB-CG2 4.46Å; V732-I812 HydrophobicContact CG1-CG2 3.75Å; V732-K813 PolarHBondContact N-O 2.98Å; V732-V814 CarbonylContact O-C 3.57Å; V732-V814 WeakPolarHBondContact O-CA 3.09Å; V732-L815 PolarHBondContact O-N 2.87Å |
| 733 | V | 89.4 | Confident | 89.3 | Confident | 54 Ų | 54 | 69.5 Ų | 69.5 | 33% | 0.327 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 144.1 | 175 | -157.1 | 0 | 0 | 0 | 0 | 108.8 | L815 I817 | V733-L815 HydrophobicContact CG2-CD1 4.46Å; V733-I817 HydrophobicContact CG1-CD1 3.48Å; V733-I817 VanDerWaalsContact CG1-CD1 3.48Å; V733-I817 HydrophobicContact CG1-CG1 3.47Å; V733-I817 VanDerWaalsContact CG1-CG1 3.47Å |
| 734 | E | 91 | Very high | 89.5 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -71 | 175.5 | 174.2 | 75.8 | -174.2 | 115.8 | 0 | 0 | 113.2 | E736 L782 R784 V814 L815 D816 I817 | E734-E736 PolarHBondContact O-N 3.18Å; E734-L782 WeakPolarHBondContact CB-O 3.26Å; E734-R784 HydrophobicContact CB-CB 4.41Å; E734-R784 VanDerWaalsContact CD-CB 3.49Å; E734-R784 WeakPolarHBondContact OE1-CB 3.49Å; E734-R784 IonicContact OE1-NE 3.2Å; E734-R784 WeakPolarHBondContact OE2-CB 3.42Å; E734-R784 PolarHBondContact OE2-N 2.79Å; E734-V814 HydrophobicContact CB-CG1 3.67Å; E734-L815 PolarHBondContact N-O 3.2Å; E734-D816 WeakPolarHBondContact OE1-CA 3.42Å; E734-I817 HydrophobicContact CG-CB 3.84Å; E734-I817 HydrophobicContact CG-CD1 4.11Å; E734-I817 HydrophobicContact CG-CG1 3.9Å; E734-I817 WeakPolarHBondContact O-CD1 3.13Å; E734-I817 PolarHBondContact OE1-N 3.47Å |
| 735 | E | 84.7 | Confident | 89.7 | Confident | 59 Ų | 59 | 69.6 Ų | 69.6 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 59.4 | -1.2 | 177 | -75.1 | -59.8 | 117.5 | 0 | 0 | 118 | K781 L782 I817 D819 | E735-K781 WeakPolarHBondContact O-CD 3.49Å; E735-K781 WeakPolarHBondContact O-CE 3.48Å; E735-K781 WeakPolarHBondContact O-CG 3.49Å; E735-K781 PolarHBondContact O-NZ 2.89Å; E735-K781 WeakPolarHBondContact OE2-CD 3.48Å; E735-K781 IonicContact OE2-NZ 3.28Å; E735-K781 PolarHBondContact OE2-NZ 2.83Å; E735-L782 PolarHBondContact N-O 3.33Å; E735-I817 HydrophobicContact CB-CD1 4.3Å; E735-D819 WeakPolarHBondContact CG-OD2 3.49Å |
| 736 | E | 82.5 | Confident | 90 | Very high | 108 Ų | 108 | 60 Ų | 60 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | trans | -99.6 | 114.5 | 173.9 | -69.7 | -169.5 | 177.1 | 0 | 0 | 112.2 | E734 A739 T778 | E734-E736 PolarHBondContact O-N 3.18Å; E736-A739 HydrophobicContact CB-CB 3.82Å; E736-T778 PolarHBondContact O-OG1 3.34Å | ||
| 737 | A | 84.3 | Confident | 90.3 | Very high | 48 Ų | 48 | 62.6 Ų | 62.6 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 144.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | A739 K781 | A737-A739 PolarHBondContact O-N 2.92Å; A737-K781 HydrophobicContact CB-CG 4.06Å |
| 738 | N | 87.6 | Confident | 90.6 | Very high | 88 Ų | 88 | 59.6 Ų | 59.6 | 47% | 0.471 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 22.4 | -177.4 | -55.7 | -55.5 | 0 | 0 | 0 | 114.8 | R769 Y777 T778 | N738-R769 PolarHBondContact OD1-NE 3.41Å; N738-R769 PolarHBondContact OD1-NH2 3.29Å; N738-Y777 WeakPolarHBondContact O-CD1 3.38Å; N738-T778 WeakPolarHBondContact CA-O 2.92Å; N738-T778 PolarHBondContact N-O 3.39Å; N738-T778 PolarHBondContact N-OG1 3.25Å; N738-T778 VanDerWaalsContact N-OG1 3.16Å |
| 739 | A | 89.6 | Confident | 90.7 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | trans | -69.1 | 135.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V732 E736 A737 V741 Y777 T778 | V732-A739 HydrophobicContact CG2-CB 3.78Å; E736-A739 HydrophobicContact CB-CB 3.82Å; A737-A739 PolarHBondContact O-N 2.92Å; A739-V741 PolarHBondContact O-N 2.88Å; A739-Y777 CarbonylContact O-C 3.56Å; A739-Y777 WeakPolarHBondContact O-CA 3.47Å; A739-T778 HydrophobicContact CB-CG2 4.32Å; A739-T778 PolarHBondContact N-OG1 3.27Å; A739-T778 PolarHBondContact O-N 3.04Å | ||
| 740 | F | 92.3 | Very high | 90.7 | Very high | 116 Ų | 116 | 50.7 Ų | 50.7 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 119.2 | 176.5 | 177.6 | -108 | 0 | 0 | 0 | 110.5 | G742 Q743 Y777 | F740-G742 WeakPolarHBondContact CE2-O 3.24Å; F740-G742 VanDerWaalsContact CZ-C 3.5Å; F740-Q743 HydrophobicContact CE2-CB 4.37Å; F740-Q743 HydrophobicContact CZ-CB 4.17Å; F740-Y777 HydrophobicContact CB-CD1 4.14Å; F740-Y777 HydrophobicContact CB-CE1 3.85Å; F740-Y777 HydrophobicContact CD2-CD1 4.38Å; F740-Y777 AromaticContact CD2-CE1 3.78Å; F740-Y777 HydrophobicContact CD2-CE1 3.78Å; F740-Y777 AromaticContact CD2-CZ 3.87Å; F740-Y777 HydrophobicContact CG-CE1 4.3Å |
| 741 | V | 92 | Very high | 90.4 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 6% | 0.055 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -41 | -179.2 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | L730 V732 A739 F768 I776 T778 I812 | L730-V741 HydrophobicContact CB-CG1 4.16Å; L730-V741 HydrophobicContact CD1-CG1 4.15Å; V732-V741 HydrophobicContact CB-CG2 4.17Å; V732-V741 HydrophobicContact CG2-CG2 4.03Å; A739-V741 PolarHBondContact O-N 2.88Å; V741-F768 HydrophobicContact CG2-CD1 4.18Å; V741-F768 HydrophobicContact CG2-CE1 4.1Å; V741-I776 HydrophobicContact CB-CB 4.39Å; V741-I776 HydrophobicContact CB-CG2 4.16Å; V741-I776 HydrophobicContact CG2-CG2 4.37Å; V741-I776 PolarHBondContact N-O 3.17Å; V741-T778 HydrophobicContact CG2-CG2 4.09Å; V741-I812 HydrophobicContact CG1-CD1 3.87Å; V741-I812 HydrophobicContact CG1-CG1 3.96Å; V741-I812 HydrophobicContact CG1-CG2 3.98Å |
| 742 | G | 92 | Very high | 90.2 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 7% | 0.072 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.8 | -178.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F740 I776 | F740-G742 WeakPolarHBondContact CE2-O 3.24Å; F740-G742 VanDerWaalsContact CZ-C 3.5Å; G742-I776 PolarHBondContact O-N 3Å |
| 743 | Q | 92.7 | Very high | 90 | Very high | 100 Ų | 100 | 55.8 Ų | 55.8 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 136.9 | 179.8 | -173.6 | 175.3 | 17.6 | 0 | 0 | 110.2 | F740 N773 G774 | F740-Q743 HydrophobicContact CE2-CB 4.37Å; F740-Q743 HydrophobicContact CZ-CB 4.17Å; Q743-N773 PolarHBondContact NE2-O 3.37Å; Q743-G774 WeakPolarHBondContact CA-O 3.37Å |
| 744 | V | 93 | Very high | 89.9 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | trans | -109.3 | 157 | 172.4 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | F722 L726 Y759 I770 G774 I776 V794 L808 L810 | F722-V744 HydrophobicContact CD1-CB 4.28Å; F722-V744 HydrophobicContact CE1-CB 4.07Å; F722-V744 HydrophobicContact CE1-CG2 4Å; L726-V744 HydrophobicContact CD1-CB 4.26Å; V744-Y759 HydrophobicContact CG2-CD1 4.12Å; V744-Y759 HydrophobicContact CG2-CE1 4.18Å; V744-I770 HydrophobicContact CG2-CD1 4.1Å; V744-G774 WeakPolarHBondContact CG2-O 3.47Å; V744-G774 PolarHBondContact N-O 3.35Å; V744-I776 HydrophobicContact CG1-CD1 4.32Å; V744-V794 HydrophobicContact CG2-CG1 3.94Å; V744-L808 HydrophobicContact CG1-CD2 3.98Å; V744-L810 HydrophobicContact CG1-CD1 3.92Å | ||
| 745 | R | 92.8 | Very high | 89.8 | Confident | 168 Ų | 168 | 55.7 Ų | 55.7 | 63% | 0.634 | 31% | 0.313 | S | S | * | . | trans | -141.2 | 130.1 | 174.5 | -171.1 | 175.8 | -179.6 | 179 | 0.3 | 109.9 | F722 D723 | F722-R745 WeakPolarHBondContact CA-O 3.43Å; D723-R745 PolarHBondContact N-O 3.44Å | ||
| 746 | A | 93.1 | Very high | 90.1 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 154.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P720 V721 F722 V757 Y759 A796 | P720-A746 HydrophobicContact CB-CB 4.49Å; V721-A746 CarbonylContact O-C 3.54Å; V721-A746 WeakPolarHBondContact O-CA 3.4Å; V721-A746 WeakPolarHBondContact O-CB 3.24Å; F722-A746 HydrophobicContact CD1-CB 3.83Å; F722-A746 HydrophobicContact CE1-CB 4.11Å; F722-A746 HydrophobicContact CG-CB 4.11Å; A746-V757 HydrophobicContact CB-CG1 4.18Å; A746-Y759 HydrophobicContact CB-CE1 3.99Å; A746-Y759 PolarHBondContact N-OH 3.12Å; A746-Y759 PolarHBondContact O-OH 3.27Å; A746-A796 HydrophobicContact CB-CB 3.83Å |
| 747 | T | 91.9 | Very high | 90.6 | Very high | 88 Ų | 88 | 54.1 Ų | 54.1 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.8 | 178.7 | 53 | 0 | 0 | 0 | 0 | 109.7 | V721 | V721-T747 PolarHBondContact N-O 2.89Å; V721-T747 PolarHBondContact O-N 3.45Å |
| 748 | D | 93 | Very high | 91 | Very high | 18 Ų | 18 | 56 Ų | 56 | 10% | 0.096 | 31% | 0.308 | C | S | . | . | trans | -122.7 | 125.9 | 173.8 | -164.3 | -46.5 | 0 | 0 | 0 | 107.9 | A719 P720 D750 V757 | A719-D748 WeakPolarHBondContact CA-OD2 3.14Å; P720-D748 HydrophobicContact CB-CB 4.42Å; P720-D748 WeakPolarHBondContact CD-OD2 3.27Å; P720-D748 HydrophobicContact CG-CB 4.29Å; P720-D748 WeakPolarHBondContact CG-OD2 3.45Å; D748-D750 VanDerWaalsContact C-N 3.3Å; D748-D750 WeakPolarHBondContact OD1-CB 3.2Å; D748-D750 PolarHBondContact OD1-N 3.27Å; D748-V757 HydrophobicContact CB-CG2 4Å | ||
| 749 | P | 91.1 | Very high | 91.4 | Very high | 70 Ų | 70 | 53.7 Ų | 53.7 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | trans | -77.7 | -9.4 | -176.3 | 34.7 | -39 | 0 | 0 | 0 | 114.4 | R683 E684 N718 | R683-P749 PolarHBondContact NH2-O 2.8Å; R683-P749 VanDerWaalsContact NH2-O 3.17Å; E684-P749 HydrophobicContact CG-CB 3.78Å; E684-P749 HydrophobicContact CG-CG 4.14Å; N718-P749 HydrophobicContact CB-CG 3.59Å | ||
| 750 | D | 93.2 | Very high | 91.6 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.053 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -66.6 | 164.2 | 179.5 | -65.5 | -9.3 | 0 | 0 | 0 | 111.9 | R683 N716 D717 N718 D748 N754 G755 | R683-D750 VanDerWaalsContact NH2-C 3.29Å; N716-D750 VanDerWaalsContact CA-OD2 3.31Å; N716-D750 WeakPolarHBondContact CA-OD2 3.48Å; N716-D750 PolarHBondContact OD1-OD2 2.87Å; D717-D750 PolarHBondContact N-OD2 3.36Å; N718-D750 WeakPolarHBondContact CB-OD1 3.49Å; N718-D750 PolarHBondContact N-OD2 3.26Å; N718-D750 PolarHBondContact ND2-OD1 2.89Å; D748-D750 VanDerWaalsContact C-N 3.3Å; D748-D750 WeakPolarHBondContact OD1-CB 3.2Å; D748-D750 PolarHBondContact OD1-N 3.27Å; D750-N754 HydrophobicContact CB-CB 3.72Å; D750-G755 VanDerWaalsContact O-CA 3.25Å; D750-G755 WeakPolarHBondContact O-CA 3.37Å |
| 751 | A | 87.2 | Confident | 91.7 | Very high | 41 Ų | 41 | 50.7 Ų | 50.7 | 34% | 0.339 | 29% | 0.285 | S | S | . | . | trans | -95.1 | 146.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D714 I753 N754 | D714-A751 HydrophobicContact CB-CB 3.96Å; D714-A751 VanDerWaalsContact CG-N 3.33Å; D714-A751 PolarHBondContact OD1-N 2.91Å; D714-A751 PolarHBondContact OD2-N 3.47Å; A751-I753 PolarHBondContact O-N 2.92Å; A751-N754 PolarHBondContact O-N 3Å | ||
| 752 | G | 87.9 | Confident | 91.7 | Very high | 64 Ų | 64 | 52.7 Ų | 52.7 | 66% | 0.66 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | 58.9 | -129.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N754 G755 Q756 | G752-N754 VanDerWaalsContact C-N 3.26Å; G752-N754 PolarHBondContact O-N 3.46Å; G752-G755 PolarHBondContact O-N 2.83Å; G752-Q756 PolarHBondContact O-N 3Å |
| 753 | I | 88.3 | Confident | 91.7 | Very high | 102 Ų | 102 | 54.6 Ų | 54.6 | 52% | 0.523 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -64.6 | -30.3 | -176.6 | -66.9 | 175 | 0 | 0 | 0 | 111.9 | A751 G755 Q756 G799 | A751-I753 PolarHBondContact O-N 2.92Å; I753-G755 VanDerWaalsContact C-N 3.3Å; I753-G755 PolarHBondContact O-N 2.01Å; I753-Q756 PolarHBondContact O-N 3.3Å; I753-G799 WeakPolarHBondContact CG2-O 3.47Å; I753-G799 CarbonylContact O-C 3.53Å; I753-G799 VanDerWaalsContact O-CA 3.3Å; I753-G799 WeakPolarHBondContact O-CA 3.42Å; I753-G799 PolarHBondContact O-N 3.49Å |
| 754 | N | 88.7 | Confident | 91.7 | Very high | 36 Ų | 36 | 52 Ų | 52 | 19% | 0.193 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -70.1 | -27.9 | 178.3 | -62.9 | -21.4 | 0 | 0 | 0 | 112 | D714 N716 D750 A751 G752 D798 A800 | D714-N754 WeakPolarHBondContact OD2-CB 3.44Å; D714-N754 PolarHBondContact OD2-ND2 3.32Å; N716-N754 HydrophobicContact CB-CB 4.02Å; D750-N754 HydrophobicContact CB-CB 3.72Å; A751-N754 PolarHBondContact O-N 3Å; G752-N754 VanDerWaalsContact C-N 3.26Å; G752-N754 PolarHBondContact O-N 3.46Å; N754-D798 WeakPolarHBondContact O-CB 3.38Å; N754-A800 VanDerWaalsContact OD1-CB 3.26Å; N754-A800 WeakPolarHBondContact OD1-CB 3.22Å |
| 755 | G | 89.1 | Confident | 91.5 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -93.1 | -3.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115 | D750 G752 I753 V757 | D750-G755 VanDerWaalsContact O-CA 3.25Å; D750-G755 WeakPolarHBondContact O-CA 3.37Å; G752-G755 PolarHBondContact O-N 2.83Å; I753-G755 VanDerWaalsContact C-N 3.3Å; I753-G755 PolarHBondContact O-N 2.01Å; G755-V757 PolarHBondContact O-N 3.09Å; G755-V757 VanDerWaalsContact O-N 3.16Å |
| 756 | Q | 90.9 | Very high | 91.3 | Very high | 104 Ų | 104 | 54 Ų | 54 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | trans | -81.8 | 100.8 | -172 | -168.8 | 175.8 | 12.9 | 0 | 0 | 111.6 | G752 I753 H758 D798 G799 | G752-Q756 PolarHBondContact O-N 3Å; I753-Q756 PolarHBondContact O-N 3.3Å; Q756-H758 PolarHBondContact O-N 3.21Å; Q756-H758 PolarHBondContact O-ND1 3.22Å; Q756-D798 CarbonylContact O-C 3.59Å; Q756-D798 WeakPolarHBondContact O-CA 3.35Å; Q756-G799 PolarHBondContact O-N 3.23Å; Q756-G799 VanDerWaalsContact O-N 3.09Å | ||
| 757 | V | 92.3 | Very high | 91.3 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | trans | -75.1 | 126.3 | -178.1 | -175.4 | 0 | 0 | 0 | 0 | 112 | P720 A746 D748 G755 Y759 A796 | P720-V757 HydrophobicContact CB-CG1 4.36Å; P720-V757 HydrophobicContact CB-CG2 4.06Å; P720-V757 HydrophobicContact CG-CG2 4.33Å; A746-V757 HydrophobicContact CB-CG1 4.18Å; D748-V757 HydrophobicContact CB-CG2 4Å; G755-V757 PolarHBondContact O-N 3.09Å; G755-V757 VanDerWaalsContact O-N 3.16Å; V757-Y759 HydrophobicContact CG1-CD1 4.4Å; V757-Y759 HydrophobicContact CG1-CE1 3.91Å; V757-Y759 HydrophobicContact CG1-CE2 4.29Å; V757-A796 HydrophobicContact CG1-CB 3.88Å | ||
| 758 | H | 92.8 | Very high | 91.4 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 41% | 0.407 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.7 | 170.2 | -66.6 | 77.5 | 0 | 0 | 0 | 109.7 | Q756 A796 T797 | Q756-H758 PolarHBondContact O-N 3.21Å; Q756-H758 PolarHBondContact O-ND1 3.22Å; H758-A796 WeakPolarHBondContact O-CA 3.41Å; H758-T797 PolarHBondContact N-O 2.8Å; H758-T797 PolarHBondContact O-N 3.43Å; H758-T797 PolarHBondContact O-OG1 3.2Å |
| 759 | Y | 95.2 | Very high | 91.5 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 138 | 177.1 | -58.2 | -76.1 | 0 | 0 | 0 | 111.1 | F722 V744 A746 V757 I770 S772 V795 A796 | F722-Y759 HydrophobicContact CE1-CD1 4.31Å; F722-Y759 HydrophobicContact CE1-CE1 4.05Å; V744-Y759 HydrophobicContact CG2-CD1 4.12Å; V744-Y759 HydrophobicContact CG2-CE1 4.18Å; A746-Y759 HydrophobicContact CB-CE1 3.99Å; A746-Y759 PolarHBondContact N-OH 3.12Å; A746-Y759 PolarHBondContact O-OH 3.27Å; V757-Y759 HydrophobicContact CG1-CD1 4.4Å; V757-Y759 HydrophobicContact CG1-CE1 3.91Å; V757-Y759 HydrophobicContact CG1-CE2 4.29Å; Y759-I770 HydrophobicContact CG-CD1 4.31Å; Y759-S772 WeakPolarHBondContact CD2-O 3.28Å; Y759-V795 WeakPolarHBondContact CA-O 3.4Å; Y759-A796 HydrophobicContact CD1-CB 4.24Å; Y759-A796 HydrophobicContact CE1-CB 4.23Å |
| 760 | S | 94.3 | Very high | 91.7 | Very high | 49 Ų | 49 | 54.4 Ų | 54.4 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 162 | 171.9 | 60.2 | 0 | 0 | 0 | 0 | 110.8 | V795 | S760-V795 PolarHBondContact N-O 2.88Å; S760-V795 PolarHBondContact O-N 3.16Å |
| 761 | L | 94.7 | Very high | 91.6 | Very high | 14 Ų | 14 | 56 Ų | 56 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.7 | 174.1 | -60.3 | 177.7 | 0 | 0 | 0 | 109 | N765 F768 I770 L792 V794 | L761-N765 PolarHBondContact O-ND2 3.32Å; L761-N765 VanDerWaalsContact O-ND2 3.1Å; L761-N765 PolarHBondContact O-OD1 3.41Å; L761-N765 VanDerWaalsContact O-OD1 3.13Å; L761-F768 VanDerWaalsContact CD1-C 3.49Å; L761-F768 HydrophobicContact CD1-CB 3.76Å; L761-F768 WeakPolarHBondContact CD1-O 3.37Å; L761-I770 HydrophobicContact CD2-CB 4.09Å; L761-I770 HydrophobicContact CD2-CD1 4.37Å; L761-I770 HydrophobicContact CD2-CG2 4.15Å; L761-I770 HydrophobicContact CG-CB 4.14Å; L761-I770 HydrophobicContact CG-CG2 3.84Å; L761-L792 HydrophobicContact CD1-CD1 4.43Å; L761-L792 HydrophobicContact CD2-CD1 4.09Å; L761-L792 HydrophobicContact CD2-CD2 4Å; L761-L792 HydrophobicContact CD2-CG 4.12Å; L761-V794 HydrophobicContact CD2-CG2 4.11Å |
| 762 | G | 90.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 53% | 0.526 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -82 | -19.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V793 | G762-V793 PolarHBondContact N-O 3.2Š|
| 763 | N | 93.3 | Very high | 91.8 | Very high | 47 Ų | 47 | 61 Ų | 61 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -150 | 162.2 | 176.2 | 62.6 | -11.6 | 0 | 0 | 0 | 111.2 | N765 E791 L792 V793 | N763-N765 VanDerWaalsContact C-N 3.32Å; N763-N765 PolarHBondContact O-N 3.21Å; N763-N765 PolarHBondContact O-OD1 3.38Å; N763-E791 PolarHBondContact ND2-O 3.48Å; N763-L792 WeakPolarHBondContact O-CD1 3.23Å; N763-V793 PolarHBondContact OD1-N 2.86Å |
| 764 | F | 92.2 | Very high | 91.9 | Very high | 44 Ų | 44 | 56.1 Ų | 56.1 | 19% | 0.193 | 31% | 0.311 | C | S | . | . | trans | 59.9 | 30.6 | 177.7 | -51.4 | -69.1 | 0 | 0 | 0 | 115.7 | N766 L767 F768 Y790 L792 | F764-N766 PolarHBondContact O-N 2.68Å; F764-L767 HydrophobicContact CB-CB 4.37Å; F764-L767 HydrophobicContact CD1-CD1 4.09Å; F764-L767 PolarHBondContact O-N 2.92Å; F764-F768 HydrophobicContact CB-CD2 3.85Å; F764-F768 HydrophobicContact CB-CE2 4.35Å; F764-F768 PolarHBondContact O-N 3.18Å; F764-Y790 HydrophobicContact CD1-CD1 4.14Å; F764-Y790 HydrophobicContact CD1-CE1 4.44Å; F764-Y790 HydrophobicContact CD2-CD1 4.42Å; F764-Y790 HydrophobicContact CE1-CD1 4.04Å; F764-Y790 HydrophobicContact CE1-CE1 4.4Å; F764-Y790 HydrophobicContact CE2-CD1 4.31Å; F764-Y790 HydrophobicContact CG-CD1 4.34Å; F764-Y790 HydrophobicContact CZ-CD1 4.13Å; F764-L792 HydrophobicContact CB-CD1 4.16Å; F764-L792 HydrophobicContact CD2-CD1 4.23Å | ||
| 765 | N | 88.4 | Confident | 92.1 | Very high | 100 Ų | 100 | 54.7 Ų | 54.7 | 54% | 0.535 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -15.7 | 179.4 | -58.2 | 41.1 | 0 | 0 | 0 | 114.1 | L761 N763 F768 | L761-N765 PolarHBondContact O-ND2 3.32Å; L761-N765 VanDerWaalsContact O-ND2 3.1Å; L761-N765 PolarHBondContact O-OD1 3.41Å; L761-N765 VanDerWaalsContact O-OD1 3.13Å; N763-N765 VanDerWaalsContact C-N 3.32Å; N763-N765 PolarHBondContact O-N 3.21Å; N763-N765 PolarHBondContact O-OD1 3.38Å; N765-F768 CarbonylContact C-O 3.57Å |
| 766 | N | 90.1 | Very high | 92.4 | Very high | 115 Ų | 115 | 54 Ų | 54 | 62% | 0.615 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -18.6 | 173.2 | 63.6 | -44.4 | 0 | 0 | 0 | 113.2 | F764 | F764-N766 PolarHBondContact O-N 2.68Š|
| 767 | L | 91.9 | Very high | 92.6 | Very high | 34 Ų | 34 | 52 Ų | 52 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -32.7 | -177.5 | -59.3 | -178.8 | 0 | 0 | 0 | 112.7 | F764 A779 V780 L782 Y790 | F764-L767 HydrophobicContact CB-CB 4.37Å; F764-L767 HydrophobicContact CD1-CD1 4.09Å; F764-L767 PolarHBondContact O-N 2.92Å; L767-A779 PolarHBondContact O-N 3.47Å; L767-V780 HydrophobicContact CD2-CG2 3.6Å; L767-L782 HydrophobicContact CB-CD2 4.18Å; L767-Y790 HydrophobicContact CD1-CD1 4.31Å; L767-Y790 HydrophobicContact CD1-CE1 3.47Å; L767-Y790 VanDerWaalsContact CD1-CE1 3.47Å |
| 768 | F | 95.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 152.8 | 179.3 | -60.2 | -83.4 | 0 | 0 | 0 | 110.3 | V741 L761 F764 N765 I776 Y777 T778 L782 Y790 L792 I812 | V741-F768 HydrophobicContact CG2-CD1 4.18Å; V741-F768 HydrophobicContact CG2-CE1 4.1Å; L761-F768 VanDerWaalsContact CD1-C 3.49Å; L761-F768 HydrophobicContact CD1-CB 3.76Å; L761-F768 WeakPolarHBondContact CD1-O 3.37Å; F764-F768 HydrophobicContact CB-CD2 3.85Å; F764-F768 HydrophobicContact CB-CE2 4.35Å; F764-F768 PolarHBondContact O-N 3.18Å; N765-F768 CarbonylContact C-O 3.57Å; F768-I776 HydrophobicContact CB-CG2 4.47Å; F768-I776 HydrophobicContact CD1-CG2 4.38Å; F768-Y777 CarbonylContact C-O 3.53Å; F768-Y777 VanDerWaalsContact CA-O 3.31Å; F768-Y777 WeakPolarHBondContact CA-O 3.2Å; F768-T778 HydrophobicContact CD1-CG2 4.34Å; F768-T778 HydrophobicContact CE1-CG2 4.09Å; F768-L782 HydrophobicContact CE1-CD1 3.96Å; F768-L782 HydrophobicContact CZ-CD1 3.78Å; F768-L782 HydrophobicContact CZ-CD2 4.43Å; F768-Y790 AromaticContact CE2-CD1 4Å; F768-Y790 HydrophobicContact CE2-CD1 4Å; F768-Y790 HydrophobicContact CE2-CD2 4.25Å; F768-Y790 AromaticContact CE2-CG 3.85Å; F768-Y790 HydrophobicContact CE2-CG 3.85Å; F768-Y790 HydrophobicContact CZ-CD2 4.01Å; F768-Y790 HydrophobicContact CZ-CG 4.03Å; F768-L792 HydrophobicContact CB-CD1 4.27Å; F768-L792 HydrophobicContact CB-CD2 4.25Å; F768-L792 HydrophobicContact CD2-CD1 3.9Å; F768-L792 HydrophobicContact CD2-CD2 4.45Å; F768-L792 HydrophobicContact CG-CD1 4.26Å; F768-L792 HydrophobicContact CG-CD2 4.16Å; F768-I812 HydrophobicContact CD1-CD1 4.33Å; F768-I812 HydrophobicContact CE1-CD1 3.8Å; F768-I812 HydrophobicContact CE2-CD1 4.38Å; F768-I812 HydrophobicContact CZ-CD1 3.84Å |
| 769 | R | 94.1 | Very high | 92.5 | Very high | 123 Ų | 123 | 48.2 Ų | 48.2 | 46% | 0.464 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 151 | 170.1 | 64.1 | 178.6 | -178.7 | 149.4 | -1.2 | 110.3 | N738 I776 Y777 A779 | N738-R769 PolarHBondContact OD1-NE 3.41Å; N738-R769 PolarHBondContact OD1-NH2 3.29Å; R769-I776 WeakPolarHBondContact O-CA 3.08Å; R769-Y777 PolarHBondContact N-O 2.83Å; R769-Y777 PolarHBondContact O-N 2.8Å; R769-A779 HydrophobicContact CB-CB 4.42Å; R769-A779 HydrophobicContact CG-CB 4.47Å |
| 770 | I | 94.5 | Very high | 92.3 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 17% | 0.174 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.5 | 176.9 | -168.3 | 161.9 | 0 | 0 | 0 | 109.5 | V744 Y759 L761 S775 I776 V794 | V744-I770 HydrophobicContact CG2-CD1 4.1Å; Y759-I770 HydrophobicContact CG-CD1 4.31Å; L761-I770 HydrophobicContact CD2-CB 4.09Å; L761-I770 HydrophobicContact CD2-CD1 4.37Å; L761-I770 HydrophobicContact CD2-CG2 4.15Å; L761-I770 HydrophobicContact CG-CB 4.14Å; L761-I770 HydrophobicContact CG-CG2 3.84Å; I770-S775 WeakPolarHBondContact CA-O 3.21Å; I770-I776 HydrophobicContact CD1-CD1 4.45Å; I770-I776 HydrophobicContact CD1-CG1 3.91Å; I770-I776 HydrophobicContact CG1-CG1 4.09Å; I770-V794 HydrophobicContact CD1-CG1 3.53Å |
| 771 | T | 93 | Very high | 92 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | trans | -85.5 | 165.7 | 177.4 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | N773 G774 S775 Y777 | T771-N773 WeakPolarHBondContact CB-OD1 3.35Å; T771-N773 PolarHBondContact O-N 3.11Å; T771-N773 VanDerWaalsContact O-N 3.17Å; T771-N773 PolarHBondContact OG1-OD1 3.08Å; T771-G774 PolarHBondContact O-N 2.8Å; T771-S775 PolarHBondContact N-O 2.96Å; T771-S775 WeakPolarHBondContact OG1-CA 3.41Å; T771-S775 WeakPolarHBondContact OG1-CB 3.31Å; T771-S775 PolarHBondContact OG1-N 2.69Å; T771-S775 VanDerWaalsContact OG1-N 3.09Å; T771-S775 PolarHBondContact OG1-O 2.9Å; T771-S775 VanDerWaalsContact OG1-O 3.06Å; T771-Y777 HydrophobicContact CG2-CD2 4.16Å; T771-Y777 HydrophobicContact CG2-CE2 3.86Å | ||
| 772 | S | 87.8 | Confident | 91.9 | Very high | 116 Ų | 116 | 52 Ų | 52 | 81% | 0.811 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.9 | 178 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | Y759 | Y759-S772 WeakPolarHBondContact CD2-O 3.28Š|
| 773 | N | 90 | Very high | 91.8 | Very high | 93 Ų | 93 | 52.3 Ų | 52.3 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 7.3 | 175 | 71.7 | -11.4 | 0 | 0 | 0 | 114.3 | Q743 T771 S775 | Q743-N773 PolarHBondContact NE2-O 3.37Å; T771-N773 WeakPolarHBondContact CB-OD1 3.35Å; T771-N773 PolarHBondContact O-N 3.11Å; T771-N773 VanDerWaalsContact O-N 3.17Å; T771-N773 PolarHBondContact OG1-OD1 3.08Å; N773-S775 PolarHBondContact OD1-N 2.89Å |
| 774 | G | 91.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 85.1 | 9.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q743 V744 T771 | Q743-G774 WeakPolarHBondContact CA-O 3.37Å; V744-G774 WeakPolarHBondContact CG2-O 3.47Å; V744-G774 PolarHBondContact N-O 3.35Å; T771-G774 PolarHBondContact O-N 2.8Å |
| 775 | S | 93.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 135 | 174.8 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | I770 T771 N773 | I770-S775 WeakPolarHBondContact CA-O 3.21Å; T771-S775 PolarHBondContact N-O 2.96Å; T771-S775 WeakPolarHBondContact OG1-CA 3.41Å; T771-S775 WeakPolarHBondContact OG1-CB 3.31Å; T771-S775 PolarHBondContact OG1-N 2.69Å; T771-S775 VanDerWaalsContact OG1-N 3.09Å; T771-S775 PolarHBondContact OG1-O 2.9Å; T771-S775 VanDerWaalsContact OG1-O 3.06Å; N773-S775 PolarHBondContact OD1-N 2.89Å |
| 776 | I | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.5 | -176.2 | -57.2 | 169.2 | 0 | 0 | 0 | 108.9 | V741 G742 V744 F768 R769 I770 L792 V794 L810 | V741-I776 HydrophobicContact CB-CB 4.39Å; V741-I776 HydrophobicContact CB-CG2 4.16Å; V741-I776 HydrophobicContact CG2-CG2 4.37Å; V741-I776 PolarHBondContact N-O 3.17Å; G742-I776 PolarHBondContact O-N 3Å; V744-I776 HydrophobicContact CG1-CD1 4.32Å; F768-I776 HydrophobicContact CB-CG2 4.47Å; F768-I776 HydrophobicContact CD1-CG2 4.38Å; R769-I776 WeakPolarHBondContact O-CA 3.08Å; I770-I776 HydrophobicContact CD1-CD1 4.45Å; I770-I776 HydrophobicContact CD1-CG1 3.91Å; I770-I776 HydrophobicContact CG1-CG1 4.09Å; I776-L792 HydrophobicContact CD1-CD2 4.19Å; I776-L792 HydrophobicContact CG2-CD2 3.78Å; I776-V794 HydrophobicContact CD1-CG2 3.83Å; I776-L810 HydrophobicContact CD1-CD1 3.46Å; I776-L810 VanDerWaalsContact CD1-CD1 3.46Å |
| 777 | Y | 94.7 | Very high | 91.7 | Very high | 64 Ų | 64 | 50.6 Ų | 50.6 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 155 | 177.9 | -60.9 | -91.6 | 0 | 0 | 0 | 110.9 | N738 A739 F740 F768 R769 T771 | N738-Y777 WeakPolarHBondContact O-CD1 3.38Å; A739-Y777 CarbonylContact O-C 3.56Å; A739-Y777 WeakPolarHBondContact O-CA 3.47Å; F740-Y777 HydrophobicContact CB-CD1 4.14Å; F740-Y777 HydrophobicContact CB-CE1 3.85Å; F740-Y777 HydrophobicContact CD2-CD1 4.38Å; F740-Y777 AromaticContact CD2-CE1 3.78Å; F740-Y777 HydrophobicContact CD2-CE1 3.78Å; F740-Y777 AromaticContact CD2-CZ 3.87Å; F740-Y777 HydrophobicContact CG-CE1 4.3Å; F768-Y777 CarbonylContact C-O 3.53Å; F768-Y777 VanDerWaalsContact CA-O 3.31Å; F768-Y777 WeakPolarHBondContact CA-O 3.2Å; R769-Y777 PolarHBondContact N-O 2.83Å; R769-Y777 PolarHBondContact O-N 2.8Å; T771-Y777 HydrophobicContact CG2-CD2 4.16Å; T771-Y777 HydrophobicContact CG2-CE2 3.86Å |
| 778 | T | 93.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.3 | 162.6 | 58.5 | 0 | 0 | 0 | 0 | 109.1 | V732 E736 N738 A739 V741 F768 V780 L782 | V732-T778 HydrophobicContact CG2-CG2 3.91Å; E736-T778 PolarHBondContact O-OG1 3.34Å; N738-T778 WeakPolarHBondContact CA-O 2.92Å; N738-T778 PolarHBondContact N-O 3.39Å; N738-T778 PolarHBondContact N-OG1 3.25Å; N738-T778 VanDerWaalsContact N-OG1 3.16Å; A739-T778 HydrophobicContact CB-CG2 4.32Å; A739-T778 PolarHBondContact N-OG1 3.27Å; A739-T778 PolarHBondContact O-N 3.04Å; V741-T778 HydrophobicContact CG2-CG2 4.09Å; F768-T778 HydrophobicContact CD1-CG2 4.34Å; F768-T778 HydrophobicContact CE1-CG2 4.09Å; T778-V780 WeakPolarHBondContact CB-O 3.34Å; T778-L782 HydrophobicContact CG2-CD1 3.82Å; T778-L782 HydrophobicContact CG2-CG 4.02Å |
| 779 | A | 90.1 | Very high | 91.6 | Very high | 37 Ų | 37 | 57.2 Ų | 57.2 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -87.5 | -31.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L767 R769 | L767-A779 PolarHBondContact O-N 3.47Å; R769-A779 HydrophobicContact CB-CB 4.42Å; R769-A779 HydrophobicContact CG-CB 4.47Å |
| 780 | V | 90.1 | Very high | 91.6 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 38% | 0.382 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -130.9 | 163.5 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 109 | L767 T778 L782 | L767-V780 HydrophobicContact CD2-CG2 3.6Å; T778-V780 WeakPolarHBondContact CB-O 3.34Å; V780-L782 PolarHBondContact O-N 3.19Å |
| 781 | K | 89.5 | Confident | 91.6 | Very high | 116 Ų | 116 | 55 Ų | 55 | 50% | 0.504 | 30% | 0.296 | S | S | . | . | trans | -59.4 | 126.2 | 168.6 | -62.3 | -179.8 | 154.6 | -147.8 | 0 | 109.6 | E735 A737 | E735-K781 WeakPolarHBondContact O-CD 3.49Å; E735-K781 WeakPolarHBondContact O-CE 3.48Å; E735-K781 WeakPolarHBondContact O-CG 3.49Å; E735-K781 PolarHBondContact O-NZ 2.89Å; E735-K781 WeakPolarHBondContact OE2-CD 3.48Å; E735-K781 IonicContact OE2-NZ 3.28Å; E735-K781 PolarHBondContact OE2-NZ 2.83Å; A737-K781 HydrophobicContact CB-CG 4.06Å | ||
| 782 | L | 91.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | trans | -84.9 | 146.6 | 171.6 | -57.2 | -178.5 | 0 | 0 | 0 | 108 | V732 E734 E735 L767 F768 T778 V780 Y790 V814 | V732-L782 HydrophobicContact CG1-CD1 3.75Å; E734-L782 WeakPolarHBondContact CB-O 3.26Å; E735-L782 PolarHBondContact N-O 3.33Å; L767-L782 HydrophobicContact CB-CD2 4.18Å; F768-L782 HydrophobicContact CE1-CD1 3.96Å; F768-L782 HydrophobicContact CZ-CD1 3.78Å; F768-L782 HydrophobicContact CZ-CD2 4.43Å; T778-L782 HydrophobicContact CG2-CD1 3.82Å; T778-L782 HydrophobicContact CG2-CG 4.02Å; V780-L782 PolarHBondContact O-N 3.19Å; L782-Y790 HydrophobicContact CD1-CE2 4.22Å; L782-V814 HydrophobicContact CD1-CG2 4.16Å | ||
| 783 | N | 90.1 | Very high | 92 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | trans | -117.8 | 121.2 | 170.4 | 170.5 | -74 | 0 | 0 | 0 | 107.5 | E785 A786 R787 | N783-E785 PolarHBondContact ND2-OE2 3.1Å; N783-E785 PolarHBondContact OD1-N 2.78Å; N783-E785 VanDerWaalsContact OD1-N 3.14Å; N783-E785 PolarHBondContact OD1-OE2 3.13Å; N783-A786 HydrophobicContact CB-CB 4.5Å; N783-A786 WeakPolarHBondContact OD1-CB 3.45Å; N783-A786 PolarHBondContact OD1-N 3.46Å; N783-R787 PolarHBondContact O-N 3.22Å | ||
| 784 | R | 92.8 | Very high | 92.2 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 9% | 0.087 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -34.6 | -174.3 | -173.3 | -158.3 | 62.8 | 81.5 | -8.1 | 111.3 | E734 A786 R787 D788 V814 D816 V851 | E734-R784 HydrophobicContact CB-CB 4.41Å; E734-R784 VanDerWaalsContact CD-CB 3.49Å; E734-R784 WeakPolarHBondContact OE1-CB 3.49Å; E734-R784 IonicContact OE1-NE 3.2Å; E734-R784 WeakPolarHBondContact OE2-CB 3.42Å; E734-R784 PolarHBondContact OE2-N 2.79Å; R784-A786 PolarHBondContact O-N 2.94Å; R784-R787 CarbonylContact O-C 3.56Å; R784-R787 PolarHBondContact O-N 3.1Å; R784-R787 VanDerWaalsContact O-N 3.13Å; R784-D788 HydrophobicContact CG-CB 3.98Å; R784-D788 PolarHBondContact O-N 2.81Å; R784-V814 HydrophobicContact CB-CB 4.26Å; R784-V814 HydrophobicContact CB-CG1 3.73Å; R784-V814 HydrophobicContact CG-CB 4.07Å; R784-V814 HydrophobicContact CG-CG1 4.03Å; R784-D816 IonicContact CZ-OD1 3.87Å; R784-D816 IonicContact NE-OD1 3.16Å; R784-D816 PolarHBondContact NE-OD1 2.56Å; R784-D816 IonicContact NH2-OD1 3.03Å; R784-D816 PolarHBondContact NH2-OD1 2.86Å; R784-V851 PolarHBondContact NH2-O 2.92Å |
| 785 | E | 89.5 | Confident | 92.4 | Very high | 55 Ų | 55 | 45.7 Ų | 45.7 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -32.9 | -179.1 | -68 | 56.3 | -106.2 | 0 | 0 | 110.8 | N783 V851 | N783-E785 PolarHBondContact ND2-OE2 3.1Å; N783-E785 PolarHBondContact OD1-N 2.78Å; N783-E785 VanDerWaalsContact OD1-N 3.14Å; N783-E785 PolarHBondContact OD1-OE2 3.13Å; E785-V851 HydrophobicContact CG-CB 4.05Å; E785-V851 HydrophobicContact CG-CG2 3.74Å |
| 786 | A | 88.8 | Confident | 92.4 | Very high | 87 Ų | 87 | 45.4 Ų | 45.4 | 72% | 0.719 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -43.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | N783 R784 | N783-A786 HydrophobicContact CB-CB 4.5Å; N783-A786 WeakPolarHBondContact OD1-CB 3.45Å; N783-A786 PolarHBondContact OD1-N 3.46Å; R784-A786 PolarHBondContact O-N 2.94Å |
| 787 | R | 90.6 | Very high | 92.4 | Very high | 105 Ų | 105 | 47.1 Ų | 47.1 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | trans | -159.8 | 116 | 178.5 | -173.3 | 168.8 | -177.8 | 160.6 | 8.3 | 112.4 | N783 R784 H789 Y790 | N783-R787 PolarHBondContact O-N 3.22Å; R784-R787 CarbonylContact O-C 3.56Å; R784-R787 PolarHBondContact O-N 3.1Å; R784-R787 VanDerWaalsContact O-N 3.13Å; R787-H789 WeakPolarHBondContact CG-O 3.42Å; R787-H789 PolarHBondContact NE-O 3.39Å; R787-Y790 HydrophobicContact CG-CE1 4.18Å; R787-Y790 HydrophobicContact CG-CE2 4.35Å | ||
| 788 | D | 90.3 | Very high | 92.4 | Very high | 80 Ų | 80 | 44.3 Ų | 44.3 | 43% | 0.428 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -87.1 | -11 | -173.7 | 68.6 | -17.8 | 0 | 0 | 0 | 115.2 | R784 V814 | R784-D788 HydrophobicContact CG-CB 3.98Å; R784-D788 PolarHBondContact O-N 2.81Å; D788-V814 PolarHBondContact O-N 2.97Å |
| 789 | H | 93.3 | Very high | 92.1 | Very high | 95 Ų | 95 | 45.6 Ų | 45.6 | 44% | 0.44 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 151 | 178.2 | 69.3 | -79.4 | 0 | 0 | 0 | 114.5 | R787 I812 | R787-H789 WeakPolarHBondContact CG-O 3.42Å; R787-H789 PolarHBondContact NE-O 3.39Å; H789-I812 CarbonylContact C-O 3.54Å; H789-I812 VanDerWaalsContact CA-O 3.26Å; H789-I812 WeakPolarHBondContact CA-O 2.94Å |
| 790 | Y | 94.1 | Very high | 91.8 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136 | 178.7 | -62.2 | -91.4 | 0 | 0 | 0 | 111.3 | F764 L767 F768 L782 R787 I812 V814 | F764-Y790 HydrophobicContact CD1-CD1 4.14Å; F764-Y790 HydrophobicContact CD1-CE1 4.44Å; F764-Y790 HydrophobicContact CD2-CD1 4.42Å; F764-Y790 HydrophobicContact CE1-CD1 4.04Å; F764-Y790 HydrophobicContact CE1-CE1 4.4Å; F764-Y790 HydrophobicContact CE2-CD1 4.31Å; F764-Y790 HydrophobicContact CG-CD1 4.34Å; F764-Y790 HydrophobicContact CZ-CD1 4.13Å; L767-Y790 HydrophobicContact CD1-CD1 4.31Å; L767-Y790 HydrophobicContact CD1-CE1 3.47Å; L767-Y790 VanDerWaalsContact CD1-CE1 3.47Å; F768-Y790 AromaticContact CE2-CD1 4Å; F768-Y790 HydrophobicContact CE2-CD1 4Å; F768-Y790 HydrophobicContact CE2-CD2 4.25Å; F768-Y790 AromaticContact CE2-CG 3.85Å; F768-Y790 HydrophobicContact CE2-CG 3.85Å; F768-Y790 HydrophobicContact CZ-CD2 4.01Å; F768-Y790 HydrophobicContact CZ-CG 4.03Å; L782-Y790 HydrophobicContact CD1-CE2 4.22Å; R787-Y790 HydrophobicContact CG-CE1 4.18Å; R787-Y790 HydrophobicContact CG-CE2 4.35Å; Y790-I812 PolarHBondContact N-O 2.97Å; Y790-I812 PolarHBondContact O-N 2.83Å; Y790-V814 HydrophobicContact CD2-CG2 3.97Å; Y790-V814 HydrophobicContact CE2-CG2 3.68Å |
| 791 | E | 94.3 | Very high | 91.5 | Very high | 95 Ų | 95 | 47.9 Ų | 47.9 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 88 | 167.9 | -64.8 | -172.8 | 173.8 | 0 | 0 | 108.5 | N763 T809 L810 Y811 | N763-E791 PolarHBondContact ND2-O 3.48Å; E791-T809 HydrophobicContact CB-CG2 4.23Å; E791-L810 CarbonylContact C-O 3.55Å; E791-L810 WeakPolarHBondContact CA-O 3.33Å; E791-Y811 HydrophobicContact CG-CD1 3.83Å; E791-Y811 HydrophobicContact CG-CE1 3.72Å; E791-Y811 WeakPolarHBondContact OE1-CE1 3.33Å |
| 792 | L | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 123.2 | -175.9 | -173.2 | 67.6 | 0 | 0 | 0 | 110.4 | L761 N763 F764 F768 I776 T809 L810 I812 | L761-L792 HydrophobicContact CD1-CD1 4.43Å; L761-L792 HydrophobicContact CD2-CD1 4.09Å; L761-L792 HydrophobicContact CD2-CD2 4Å; L761-L792 HydrophobicContact CD2-CG 4.12Å; N763-L792 WeakPolarHBondContact O-CD1 3.23Å; F764-L792 HydrophobicContact CB-CD1 4.16Å; F764-L792 HydrophobicContact CD2-CD1 4.23Å; F768-L792 HydrophobicContact CB-CD1 4.27Å; F768-L792 HydrophobicContact CB-CD2 4.25Å; F768-L792 HydrophobicContact CD2-CD1 3.9Å; F768-L792 HydrophobicContact CD2-CD2 4.45Å; F768-L792 HydrophobicContact CG-CD1 4.26Å; F768-L792 HydrophobicContact CG-CD2 4.16Å; I776-L792 HydrophobicContact CD1-CD2 4.19Å; I776-L792 HydrophobicContact CG2-CD2 3.78Å; L792-T809 CarbonylContact O-C 3.42Å; L792-T809 WeakPolarHBondContact O-CA 2.99Å; L792-L810 PolarHBondContact N-O 3.32Å; L792-L810 PolarHBondContact O-N 2.82Å; L792-I812 HydrophobicContact CB-CD1 3.69Å; L792-I812 HydrophobicContact CD2-CD1 3.69Å; L792-I812 HydrophobicContact CG-CD1 4.32Å |
| 793 | V | 94.9 | Very high | 91.2 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 23% | 0.23 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 115.3 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | G762 N763 V795 T809 | G762-V793 PolarHBondContact N-O 3.2Å; N763-V793 PolarHBondContact OD1-N 2.86Å; V793-V795 HydrophobicContact CG1-CG2 4.45Å; V793-T809 HydrophobicContact CG2-CG2 4.43Å |
| 794 | V | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 133 | 173.8 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | F722 V744 L761 I770 I776 T807 L808 L810 | F722-V794 HydrophobicContact CE1-CG1 4.35Å; F722-V794 HydrophobicContact CZ-CB 4.41Å; F722-V794 HydrophobicContact CZ-CG1 4.14Å; V744-V794 HydrophobicContact CG2-CG1 3.94Å; L761-V794 HydrophobicContact CD2-CG2 4.11Å; I770-V794 HydrophobicContact CD1-CG1 3.53Å; I776-V794 HydrophobicContact CD1-CG2 3.83Å; V794-T807 CarbonylContact O-C 3.56Å; V794-T807 WeakPolarHBondContact O-CA 3.46Å; V794-L808 PolarHBondContact N-O 3.28Å; V794-L808 PolarHBondContact O-N 2.96Å; V794-L810 HydrophobicContact CG2-CD1 3.8Å; V794-L810 HydrophobicContact CG2-CG 4.41Å |
| 795 | V | 94.7 | Very high | 91.3 | Very high | 20 Ų | 20 | 60.2 Ų | 60.2 | 12% | 0.121 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127 | -179.7 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | Y759 S760 V793 T797 H805 S806 T807 | Y759-V795 WeakPolarHBondContact CA-O 3.4Å; S760-V795 PolarHBondContact N-O 2.88Å; S760-V795 PolarHBondContact O-N 3.16Å; V793-V795 HydrophobicContact CG1-CG2 4.45Å; V795-T797 HydrophobicContact CG1-CG2 4.05Å; V795-H805 HydrophobicContact CG1-CB 4.14Å; V795-S806 WeakPolarHBondContact CA-O 3.26Å; V795-T807 HydrophobicContact CG1-CG2 4.3Å; V795-T807 HydrophobicContact CG2-CG2 4.09Å |
| 796 | A | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | P720 F722 A746 V757 H758 Y759 H805 S806 | P720-A796 HydrophobicContact CB-CB 3.94Å; F722-A796 HydrophobicContact CE1-CB 4.11Å; F722-A796 HydrophobicContact CE2-CB 3.73Å; F722-A796 HydrophobicContact CZ-CB 3.47Å; F722-A796 VanDerWaalsContact CZ-CB 3.47Å; A746-A796 HydrophobicContact CB-CB 3.83Å; V757-A796 HydrophobicContact CG1-CB 3.88Å; H758-A796 WeakPolarHBondContact O-CA 3.41Å; Y759-A796 HydrophobicContact CD1-CB 4.24Å; Y759-A796 HydrophobicContact CE1-CB 4.23Å; A796-H805 CarbonylContact O-C 3.44Å; A796-H805 WeakPolarHBondContact O-CA 3.22Å; A796-H805 WeakPolarHBondContact O-CB 3.27Å; A796-S806 PolarHBondContact N-O 2.82Å; A796-S806 PolarHBondContact O-N 2.96Å |
| 797 | T | 94 | Very high | 91.8 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.2 | 178.7 | 46.5 | 0 | 0 | 0 | 0 | 109.6 | H758 V795 R804 H805 | H758-T797 PolarHBondContact N-O 2.8Å; H758-T797 PolarHBondContact O-N 3.43Å; H758-T797 PolarHBondContact O-OG1 3.2Å; V795-T797 HydrophobicContact CG1-CG2 4.05Å; T797-R804 WeakPolarHBondContact CA-O 3.46Å; T797-H805 HydrophobicContact CG2-CB 3.53Å |
| 798 | D | 93.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | trans | -70.7 | 171.2 | 165.8 | 68.6 | 48.7 | 0 | 0 | 0 | 111.5 | N716 P720 N754 Q756 A800 P803 R804 | N716-D798 VanDerWaalsContact ND2-CG 3.34Å; N716-D798 PolarHBondContact ND2-OD1 2.7Å; N716-D798 PolarHBondContact ND2-OD2 2.67Å; P720-D798 HydrophobicContact CG-CB 4.15Å; N754-D798 WeakPolarHBondContact O-CB 3.38Å; Q756-D798 CarbonylContact O-C 3.59Å; Q756-D798 WeakPolarHBondContact O-CA 3.35Å; D798-A800 WeakPolarHBondContact OD1-CB 3.35Å; D798-A800 PolarHBondContact OD1-N 2.79Å; D798-P803 WeakPolarHBondContact OD1-CA 3.4Å; D798-P803 WeakPolarHBondContact OD1-CB 3.4Å; D798-R804 PolarHBondContact N-O 2.8Å; D798-R804 PolarHBondContact OD1-N 2.97Å; D798-R804 WeakPolarHBondContact OD2-CA 3.49Å; D798-R804 VanDerWaalsContact OD2-CB 3.24Å; D798-R804 WeakPolarHBondContact OD2-CB 3.36Å; D798-R804 PolarHBondContact OD2-N 2.88Å | ||
| 799 | G | 86.9 | Confident | 92.1 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -88.8 | 3.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I753 Q756 | I753-G799 WeakPolarHBondContact CG2-O 3.47Å; I753-G799 CarbonylContact O-C 3.53Å; I753-G799 VanDerWaalsContact O-CA 3.3Å; I753-G799 WeakPolarHBondContact O-CA 3.42Å; I753-G799 PolarHBondContact O-N 3.49Å; Q756-G799 PolarHBondContact O-N 3.23Å; Q756-G799 VanDerWaalsContact O-N 3.09Å |
| 800 | A | 85.6 | Confident | 92.1 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -68.2 | 164.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113 | N716 N754 D798 H802 P803 | N716-A800 HydrophobicContact CB-CB 4.44Å; N716-A800 WeakPolarHBondContact ND2-CB 3.41Å; N754-A800 VanDerWaalsContact OD1-CB 3.26Å; N754-A800 WeakPolarHBondContact OD1-CB 3.22Å; D798-A800 WeakPolarHBondContact OD1-CB 3.35Å; D798-A800 PolarHBondContact OD1-N 2.79Å; A800-H802 PolarHBondContact O-N 2.81Å; A800-P803 WeakPolarHBondContact O-CD 3.31Å |
| 801 | V | 82.6 | Confident | 92.1 | Very high | 134 Ų | 134 | 53 Ų | 53 | 81% | 0.812 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -61 | -34.1 | 175.2 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | P803 | V801-P803 WeakPolarHBondContact O-CD 3.41Š|
| 802 | H | 85 | Confident | 92.1 | Very high | 163 Ų | 163 | 48.6 Ų | 48.6 | 76% | 0.755 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -117.3 | 79.8 | 173.5 | -66.6 | -67.7 | 0 | 0 | 0 | 108.9 | A800 | A800-H802 PolarHBondContact O-N 2.81Š|
| 803 | P | 89.3 | Confident | 92.1 | Very high | 68 Ų | 68 | 55 Ų | 55 | 44% | 0.442 | 29% | 0.289 | S | S | . | . | trans | -72.9 | 139.4 | -163.2 | 27.7 | -34.5 | 0 | 0 | 0 | 112.3 | D798 A800 V801 | D798-P803 WeakPolarHBondContact OD1-CA 3.4Å; D798-P803 WeakPolarHBondContact OD1-CB 3.4Å; A800-P803 WeakPolarHBondContact O-CD 3.31Å; V801-P803 WeakPolarHBondContact O-CD 3.41Å | ||
| 804 | R | 92 | Very high | 92 | Very high | 106 Ų | 106 | 53.3 Ų | 53.3 | 40% | 0.4 | 28% | 0.28 | S | S | . | . | trans | -100.6 | 149.7 | 173.1 | -52.9 | 177.1 | 100.4 | -160.3 | 17.6 | 107.9 | N716 D717 N718 A719 T797 D798 | N716-R804 WeakPolarHBondContact OD1-CD 3.34Å; D717-R804 VanDerWaalsContact CA-NH1 3.3Å; D717-R804 PolarHBondContact O-NH1 2.93Å; N718-R804 VanDerWaalsContact C-NH1 3.34Å; N718-R804 VanDerWaalsContact O-CD 3.31Å; N718-R804 WeakPolarHBondContact O-CD 3.48Å; N718-R804 PolarHBondContact O-NH1 2.98Å; A719-R804 HydrophobicContact CB-CB 3.85Å; T797-R804 WeakPolarHBondContact CA-O 3.46Å; D798-R804 PolarHBondContact N-O 2.8Å; D798-R804 PolarHBondContact OD1-N 2.97Å; D798-R804 WeakPolarHBondContact OD2-CA 3.49Å; D798-R804 VanDerWaalsContact OD2-CB 3.24Å; D798-R804 WeakPolarHBondContact OD2-CB 3.36Å; D798-R804 PolarHBondContact OD2-N 2.88Å | ||
| 805 | H | 93.7 | Very high | 91.7 | Very high | 120 Ų | 120 | 56.7 Ų | 56.7 | 56% | 0.556 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 155 | -171.3 | 64.7 | -87.6 | 0 | 0 | 0 | 112.8 | V795 A796 T797 | V795-H805 HydrophobicContact CG1-CB 4.14Å; A796-H805 CarbonylContact O-C 3.44Å; A796-H805 WeakPolarHBondContact O-CA 3.22Å; A796-H805 WeakPolarHBondContact O-CB 3.27Å; T797-H805 HydrophobicContact CG2-CB 3.53Å |
| 806 | S | 94.2 | Very high | 91.4 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 158 | 168.4 | 68.1 | 0 | 0 | 0 | 0 | 110.7 | P720 F722 V795 A796 | P720-S806 WeakPolarHBondContact O-CB 3.28Å; P720-S806 PolarHBondContact O-OG 2.77Å; F722-S806 WeakPolarHBondContact CD2-OG 3.46Å; F722-S806 WeakPolarHBondContact CE2-OG 3.38Å; V795-S806 WeakPolarHBondContact CA-O 3.26Å; A796-S806 PolarHBondContact N-O 2.82Å; A796-S806 PolarHBondContact O-N 2.96Å |
| 807 | T | 94.1 | Very high | 91 | Very high | 86 Ų | 86 | 61 Ų | 61 | 53% | 0.528 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.4 | -177.2 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | V794 V795 | V794-T807 CarbonylContact O-C 3.56Å; V794-T807 WeakPolarHBondContact O-CA 3.46Å; V795-T807 HydrophobicContact CG1-CG2 4.3Å; V795-T807 HydrophobicContact CG2-CG2 4.09Å |
| 808 | L | 93.6 | Very high | 90.5 | Very high | 12 Ų | 12 | 61.1 Ų | 61.1 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127 | 175 | 177.6 | 66 | 0 | 0 | 0 | 109.9 | F722 L726 V744 V794 L810 | F722-L808 HydrophobicContact CB-CD2 4.41Å; F722-L808 HydrophobicContact CD1-CB 4.31Å; F722-L808 HydrophobicContact CD1-CD2 3.96Å; F722-L808 HydrophobicContact CD2-CB 3.74Å; F722-L808 HydrophobicContact CE1-CB 4.34Å; F722-L808 HydrophobicContact CE1-CD2 4.39Å; F722-L808 HydrophobicContact CE2-CB 3.76Å; F722-L808 HydrophobicContact CG-CB 4.02Å; F722-L808 HydrophobicContact CG-CD2 4.11Å; F722-L808 HydrophobicContact CZ-CB 4.06Å; L726-L808 HydrophobicContact CD1-CD2 4.41Å; V744-L808 HydrophobicContact CG1-CD2 3.98Å; V794-L808 PolarHBondContact N-O 3.28Å; V794-L808 PolarHBondContact O-N 2.96Å; L808-L810 HydrophobicContact CD2-CD2 3.95Å; L808-L810 HydrophobicContact CG-CD2 4.14Å |
| 809 | T | 93.7 | Very high | 90.2 | Very high | 47 Ų | 47 | 62.7 Ų | 62.7 | 29% | 0.288 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.1 | 174.2 | -49.4 | 0 | 0 | 0 | 0 | 110.4 | E791 L792 V793 | E791-T809 HydrophobicContact CB-CG2 4.23Å; L792-T809 CarbonylContact O-C 3.42Å; L792-T809 WeakPolarHBondContact O-CA 2.99Å; V793-T809 HydrophobicContact CG2-CG2 4.43Å |
| 810 | L | 93.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137.6 | 175.5 | -57.8 | 174.6 | 0 | 0 | 0 | 109.7 | R728 L730 V744 I776 E791 L792 V794 L808 | R728-L810 CarbonylContact O-C 3.53Å; R728-L810 WeakPolarHBondContact O-CA 3.37Å; L730-L810 HydrophobicContact CD1-CD1 3.99Å; V744-L810 HydrophobicContact CG1-CD1 3.92Å; I776-L810 HydrophobicContact CD1-CD1 3.46Å; I776-L810 VanDerWaalsContact CD1-CD1 3.46Å; E791-L810 CarbonylContact C-O 3.55Å; E791-L810 WeakPolarHBondContact CA-O 3.33Å; L792-L810 PolarHBondContact N-O 3.32Å; L792-L810 PolarHBondContact O-N 2.82Å; V794-L810 HydrophobicContact CG2-CD1 3.8Å; V794-L810 HydrophobicContact CG2-CG 4.41Å; L808-L810 HydrophobicContact CD2-CD2 3.95Å; L808-L810 HydrophobicContact CG-CD2 4.14Å |
| 811 | Y | 94.8 | Very high | 90.4 | Very high | 112 Ų | 112 | 64.7 Ų | 64.7 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 109.7 | 174.8 | -65.3 | -86.6 | 0 | 0 | 0 | 109 | R728 N729 L730 E791 | R728-Y811 PolarHBondContact O-N 2.89Å; N729-Y811 CarbonylContact C-O 3.58Å; N729-Y811 WeakPolarHBondContact CA-O 3.33Å; L730-Y811 PolarHBondContact N-O 3.23Å; E791-Y811 HydrophobicContact CG-CD1 3.83Å; E791-Y811 HydrophobicContact CG-CE1 3.72Å; E791-Y811 WeakPolarHBondContact OE1-CE1 3.33Å |
| 812 | I | 94.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.3 | -179.1 | -56.3 | 165.4 | 0 | 0 | 0 | 108.4 | L730 V732 V741 F768 H789 Y790 L792 | L730-I812 HydrophobicContact CB-CG1 4.39Å; L730-I812 WeakPolarHBondContact O-CA 3.43Å; V732-I812 HydrophobicContact CB-CG2 4.46Å; V732-I812 HydrophobicContact CG1-CG2 3.75Å; V741-I812 HydrophobicContact CG1-CD1 3.87Å; V741-I812 HydrophobicContact CG1-CG1 3.96Å; V741-I812 HydrophobicContact CG1-CG2 3.98Å; F768-I812 HydrophobicContact CD1-CD1 4.33Å; F768-I812 HydrophobicContact CE1-CD1 3.8Å; F768-I812 HydrophobicContact CE2-CD1 4.38Å; F768-I812 HydrophobicContact CZ-CD1 3.84Å; H789-I812 CarbonylContact C-O 3.54Å; H789-I812 VanDerWaalsContact CA-O 3.26Å; H789-I812 WeakPolarHBondContact CA-O 2.94Å; Y790-I812 PolarHBondContact N-O 2.97Å; Y790-I812 PolarHBondContact O-N 2.83Å; L792-I812 HydrophobicContact CB-CD1 3.69Å; L792-I812 HydrophobicContact CD2-CD1 3.69Å; L792-I812 HydrophobicContact CG-CD1 4.32Å |
| 813 | K | 93.5 | Very high | 91.2 | Very high | 134 Ų | 134 | 55.5 Ų | 55.5 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.8 | 171.4 | -174.3 | 175.8 | -178.4 | -177 | 0 | 110.1 | L730 S731 V732 | L730-K813 PolarHBondContact O-N 2.75Å; S731-K813 CarbonylContact C-O 3.5Å; S731-K813 WeakPolarHBondContact CA-O 3.3Å; V732-K813 PolarHBondContact N-O 2.98Å |
| 814 | V | 92.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.3 | 173.1 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | V732 E734 L782 R784 D788 Y790 | V732-V814 CarbonylContact O-C 3.57Å; V732-V814 WeakPolarHBondContact O-CA 3.09Å; E734-V814 HydrophobicContact CB-CG1 3.67Å; L782-V814 HydrophobicContact CD1-CG2 4.16Å; R784-V814 HydrophobicContact CB-CB 4.26Å; R784-V814 HydrophobicContact CB-CG1 3.73Å; R784-V814 HydrophobicContact CG-CB 4.07Å; R784-V814 HydrophobicContact CG-CG1 4.03Å; D788-V814 PolarHBondContact O-N 2.97Å; Y790-V814 HydrophobicContact CD2-CG2 3.97Å; Y790-V814 HydrophobicContact CE2-CG2 3.68Å |
| 815 | L | 89.7 | Confident | 91.3 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 37% | 0.366 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.4 | 178.3 | -57.4 | 177.1 | 0 | 0 | 0 | 109.5 | V732 V733 E734 | V732-L815 PolarHBondContact O-N 2.87Å; V733-L815 HydrophobicContact CG2-CD1 4.46Å; E734-L815 PolarHBondContact N-O 3.2Å |
| 816 | D | 87 | Confident | 91.2 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 131.5 | -177.8 | -170.7 | 76.2 | 0 | 0 | 0 | 111.6 | E734 R784 L853 | E734-D816 WeakPolarHBondContact OE1-CA 3.42Å; R784-D816 IonicContact CZ-OD1 3.87Å; R784-D816 IonicContact NE-OD1 3.16Å; R784-D816 PolarHBondContact NE-OD1 2.56Å; R784-D816 IonicContact NH2-OD1 3.03Å; R784-D816 PolarHBondContact NH2-OD1 2.86Å; D816-L853 HydrophobicContact CB-CB 4.25Å; D816-L853 HydrophobicContact CB-CD1 4.19Å; D816-L853 PolarHBondContact OD1-N 2.63Å; D816-L853 VanDerWaalsContact OD1-N 3.15Å; D816-L853 WeakPolarHBondContact OD2-CB 3.29Å; D816-L853 PolarHBondContact OD2-N 3.07Å; D816-L853 VanDerWaalsContact OD2-N 3.14Å |
| 817 | I | 87.3 | Confident | 90.9 | Very high | 58 Ų | 58 | 53.6 Ų | 53.6 | 30% | 0.297 | 29% | 0.293 | S | S | . | . | trans | -110.9 | 139.5 | 160.7 | -66.1 | 179.4 | 0 | 0 | 0 | 106.9 | V733 E734 E735 D819 | V733-I817 HydrophobicContact CG1-CD1 3.48Å; V733-I817 VanDerWaalsContact CG1-CD1 3.48Å; V733-I817 HydrophobicContact CG1-CG1 3.47Å; V733-I817 VanDerWaalsContact CG1-CG1 3.47Å; E734-I817 HydrophobicContact CG-CB 3.84Å; E734-I817 HydrophobicContact CG-CD1 4.11Å; E734-I817 HydrophobicContact CG-CG1 3.9Å; E734-I817 WeakPolarHBondContact O-CD1 3.13Å; E734-I817 PolarHBondContact OE1-N 3.47Å; E735-I817 HydrophobicContact CB-CD1 4.3Å; I817-D819 VanDerWaalsContact C-N 3.27Å; I817-D819 HydrophobicContact CG2-CB 4.17Å; I817-D819 PolarHBondContact O-N 3.29Å | ||
| 818 | D | 84.7 | Confident | 90.8 | Very high | 38 Ų | 38 | 53.3 Ų | 53.3 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | trans | -71 | 82.9 | 169.7 | 165.1 | 67.2 | 0 | 0 | 0 | 109.5 | D852 G908 T909 M910 | D818-D852 WeakPolarHBondContact CA-OD2 3.42Å; D818-G908 WeakPolarHBondContact OD1-CA 3.38Å; D818-G908 VanDerWaalsContact OD2-CA 3.26Å; D818-G908 WeakPolarHBondContact OD2-CA 3.35Å; D818-T909 WeakPolarHBondContact OD2-CA 3.47Å; D818-T909 PolarHBondContact OD2-N 2.87Å; D818-T909 PolarHBondContact OD2-OG1 2.67Å; D818-M910 VanDerWaalsContact O-CG 3.31Å; D818-M910 WeakPolarHBondContact O-CG 3.46Å; D818-M910 PolarHBondContact OD2-N 2.98Å | ||
| 819 | D | 87.2 | Confident | 90.8 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | trans | -118.4 | 0.8 | -176.4 | 84.3 | -28.3 | 0 | 0 | 0 | 113.7 | E735 I817 D852 M910 | E735-D819 WeakPolarHBondContact CG-OD2 3.49Å; I817-D819 VanDerWaalsContact C-N 3.27Å; I817-D819 HydrophobicContact CG2-CB 4.17Å; I817-D819 PolarHBondContact O-N 3.29Å; D819-D852 PolarHBondContact N-OD2 2.73Å; D819-D852 VanDerWaalsContact N-OD2 3.17Å; D819-M910 VanDerWaalsContact O-CE 3.25Å; D819-M910 WeakPolarHBondContact O-CE 3.44Å | ||
| 820 | N | 85.8 | Confident | 90.7 | Very high | 46 Ų | 46 | 56 Ų | 56 | 25% | 0.246 | 31% | 0.306 | C | S | . | . | trans | -111 | 139.5 | 175.5 | -65.1 | -81.3 | 0 | 0 | 0 | 111.6 | V851 D852 | N820-V851 HydrophobicContact CB-CG2 3.52Å; N820-V851 WeakPolarHBondContact ND2-CG2 3.38Å; N820-D852 WeakPolarHBondContact CB-OD1 3.1Å; N820-D852 PolarHBondContact N-OD2 2.93Å; N820-D852 PolarHBondContact ND2-OD1 2.99Å | ||
| 821 | S | 90 | Very high | 90.6 | Very high | 36 Ų | 36 | 57.2 Ų | 57.2 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | trans | -88.3 | 146 | 170.9 | -73.4 | 0 | 0 | 0 | 0 | 110.3 | V823 P911 | S821-V823 VanDerWaalsContact O-CG2 3.32Å; S821-V823 WeakPolarHBondContact O-CG2 3.38Å; S821-V823 PolarHBondContact O-N 2.84Å; S821-P911 VanDerWaalsContact CB-O 3.24Å; S821-P911 WeakPolarHBondContact CB-O 3.4Å; S821-P911 PolarHBondContact OG-O 2.66Å | ||
| 822 | P | 92.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | trans | -56.5 | 124.1 | 172.8 | -24.3 | 31.2 | 0 | 0 | 0 | 112 | A848 D850 V857 A903 D905 G913 | P822-A848 HydrophobicContact CB-CB 4.43Å; P822-D850 HydrophobicContact CB-CB 4.32Å; P822-D850 WeakPolarHBondContact CD-OD2 3.5Å; P822-D850 HydrophobicContact CG-CB 4.18Å; P822-D850 WeakPolarHBondContact CG-OD2 3.32Å; P822-V857 HydrophobicContact CB-CG1 4.23Å; P822-V857 HydrophobicContact CB-CG2 4.16Å; P822-V857 HydrophobicContact CG-CG2 4.36Å; P822-A903 HydrophobicContact CB-CB 4.07Å; P822-D905 HydrophobicContact CG-CB 4.42Å; P822-G913 VanDerWaalsContact O-CA 3.22Å; P822-G913 WeakPolarHBondContact O-CA 3.14Å | ||
| 823 | V | 90.9 | Very high | 90.2 | Very high | 104 Ų | 104 | 56.2 Ų | 56.2 | 63% | 0.63 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.6 | -177.6 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | S821 A848 K849 | S821-V823 VanDerWaalsContact O-CG2 3.32Å; S821-V823 WeakPolarHBondContact O-CG2 3.38Å; S821-V823 PolarHBondContact O-N 2.84Å; V823-A848 CarbonylContact O-C 3.52Å; V823-A848 WeakPolarHBondContact O-CA 3.31Å; V823-A848 WeakPolarHBondContact O-CB 3.45Å; V823-K849 PolarHBondContact N-O 2.88Å; V823-K849 PolarHBondContact O-N 3.48Å |
| 824 | F | 93.7 | Very high | 89.9 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 7% | 0.066 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 144 | 172.7 | -75.3 | -78.3 | 0 | 0 | 0 | 111.9 | N826 Y829 I846 E847 A848 Y859 V901 A903 G913 A915 | F824-N826 VanDerWaalsContact CB-O 3.3Å; F824-N826 WeakPolarHBondContact CB-O 3.29Å; F824-N826 PolarHBondContact O-N 3.17Å; F824-Y829 HydrophobicContact CB-CE2 4.42Å; F824-Y829 HydrophobicContact CD1-CE2 4.33Å; F824-I846 HydrophobicContact CD1-CB 4.45Å; F824-I846 HydrophobicContact CE1-CB 4.25Å; F824-I846 HydrophobicContact CE1-CD1 3.73Å; F824-I846 HydrophobicContact CE1-CG1 4.14Å; F824-I846 HydrophobicContact CZ-CD1 4.29Å; F824-E847 WeakPolarHBondContact CA-O 2.74Å; F824-A848 HydrophobicContact CB-CB 4.5Å; F824-A848 HydrophobicContact CD1-CB 3.73Å; F824-A848 HydrophobicContact CE1-CB 4.01Å; F824-A848 HydrophobicContact CG-CB 4Å; F824-Y859 AromaticContact CE1-CD1 3.86Å; F824-Y859 HydrophobicContact CE1-CD1 3.86Å; F824-Y859 AromaticContact CE1-CE1 3.82Å; F824-Y859 HydrophobicContact CE1-CE1 3.82Å; F824-Y859 HydrophobicContact CZ-CD1 4.23Å; F824-Y859 HydrophobicContact CZ-CE1 4.5Å; F824-V901 HydrophobicContact CE1-CG2 4.31Å; F824-V901 HydrophobicContact CE2-CG2 4.46Å; F824-V901 HydrophobicContact CZ-CG2 3.93Å; F824-A903 HydrophobicContact CD2-CB 4.47Å; F824-A903 HydrophobicContact CE1-CB 3.98Å; F824-A903 HydrophobicContact CE2-CB 3.74Å; F824-A903 HydrophobicContact CZ-CB 3.45Å; F824-A903 VanDerWaalsContact CZ-CB 3.45Å; F824-G913 WeakPolarHBondContact CE2-O 3.46Å; F824-A915 HydrophobicContact CB-CB 4.06Å; F824-A915 HydrophobicContact CD1-CB 4.2Å; F824-A915 HydrophobicContact CD2-CB 3.44Å; F824-A915 VanDerWaalsContact CD2-CB 3.44Å; F824-A915 HydrophobicContact CE2-CB 3.82Å; F824-A915 HydrophobicContact CG-CB 3.64Å; F824-A915 HydrophobicContact CZ-CB 4.36Å |
| 825 | T | 90.8 | Very high | 89.7 | Confident | 94 Ų | 94 | 54 Ų | 54 | 58% | 0.577 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -55 | -41.1 | 176.5 | -54 | 0 | 0 | 0 | 0 | 111.8 | E847 | T825-E847 PolarHBondContact N-O 2.94Å; T825-E847 PolarHBondContact OG1-O 3.34Å |
| 826 | N | 90.9 | Very high | 89.4 | Confident | 83 Ų | 83 | 55.3 Ų | 55.3 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | trans | -123.5 | 142.4 | 170.5 | -60.9 | -16.8 | 0 | 0 | 0 | 110.3 | F824 T828 Y829 | F824-N826 VanDerWaalsContact CB-O 3.3Å; F824-N826 WeakPolarHBondContact CB-O 3.29Å; F824-N826 PolarHBondContact O-N 3.17Å; N826-T828 VanDerWaalsContact C-N 3.29Å; N826-T828 WeakPolarHBondContact CB-O 3.26Å; N826-Y829 HydrophobicContact CB-CD1 4.31Å; N826-Y829 HydrophobicContact CB-CE1 3.9Å; N826-Y829 HydrophobicContact CB-CE2 4.12Å; N826-Y829 PolarHBondContact N-OH 2.88Å; N826-Y829 WeakPolarHBondContact O-CE2 3.47Å | ||
| 827 | S | 88.6 | Confident | 89.4 | Confident | 89 Ų | 89 | 55 Ų | 55 | 62% | 0.622 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -72.2 | -25.1 | 173.4 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | A915 T916 | S827-A915 WeakPolarHBondContact O-CA 3.45Å; S827-T916 PolarHBondContact O-N 2.79Å; S827-T916 PolarHBondContact O-OG1 3.36Å |
| 828 | T | 92.2 | Very high | 89.4 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 132.1 | -179.2 | 53.3 | 0 | 0 | 0 | 0 | 108.9 | N826 T916 | N826-T828 VanDerWaalsContact C-N 3.29Å; N826-T828 WeakPolarHBondContact CB-O 3.26Å; T828-T916 CarbonylContact C-O 3.55Å; T828-T916 WeakPolarHBondContact CA-O 3.49Å; T828-T916 WeakPolarHBondContact CA-OG1 3.32Å; T828-T916 WeakPolarHBondContact CG2-OG1 3.44Å |
| 829 | Y | 93.5 | Very high | 89.4 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.2 | 172.5 | -64.5 | -92.2 | 0 | 0 | 0 | 108.7 | F824 N826 L844 I846 E847 A915 T916 V917 T918 | F824-Y829 HydrophobicContact CB-CE2 4.42Å; F824-Y829 HydrophobicContact CD1-CE2 4.33Å; N826-Y829 HydrophobicContact CB-CD1 4.31Å; N826-Y829 HydrophobicContact CB-CE1 3.9Å; N826-Y829 HydrophobicContact CB-CE2 4.12Å; N826-Y829 PolarHBondContact N-OH 2.88Å; N826-Y829 WeakPolarHBondContact O-CE2 3.47Å; Y829-L844 HydrophobicContact CD1-CD1 4.22Å; Y829-L844 HydrophobicContact CG-CD2 4.37Å; Y829-I846 HydrophobicContact CD1-CG2 4.31Å; Y829-I846 HydrophobicContact CD2-CG2 4.01Å; Y829-I846 HydrophobicContact CE1-CG2 4.28Å; Y829-I846 HydrophobicContact CE2-CB 4.33Å; Y829-I846 HydrophobicContact CE2-CG2 3.97Å; Y829-I846 HydrophobicContact CG-CG2 4.18Å; Y829-E847 PolarHBondContact OH-O 2.88Å; Y829-A915 HydrophobicContact CD2-CB 4.21Å; Y829-A915 HydrophobicContact CE2-CB 3.99Å; Y829-T916 PolarHBondContact N-O 2.94Å; Y829-V917 CarbonylContact O-C 3.58Å; Y829-V917 WeakPolarHBondContact O-CA 3.3Å; Y829-T918 PolarHBondContact O-N 3.41Å |
| 830 | T | 92 | Very high | 89.5 | Confident | 95 Ų | 95 | 58.3 Ų | 58.3 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.4 | 174.5 | -50.1 | 0 | 0 | 0 | 0 | 109 | T918 I920 | T830-T918 WeakPolarHBondContact CA-O 3.47Å; T830-I920 HydrophobicContact CG2-CD1 3.66Å; T830-I920 HydrophobicContact CG2-CG1 4.19Å |
| 831 | V | 92.2 | Very high | 89.7 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.8 | 179.9 | 64 | 0 | 0 | 0 | 0 | 109.9 | V833 F843 L844 T918 V919 I920 | V831-V833 HydrophobicContact CG1-CG2 4.36Å; V831-V833 HydrophobicContact CG2-CG2 4.36Å; V831-F843 HydrophobicContact CG1-CD2 3.74Å; V831-F843 HydrophobicContact CG1-CE2 3.76Å; V831-F843 HydrophobicContact CG2-CD2 4.23Å; V831-L844 HydrophobicContact CG1-CD2 4.47Å; V831-T918 PolarHBondContact N-O 2.79Å; V831-V919 HydrophobicContact CG1-CG2 4.04Å; V831-I920 PolarHBondContact O-N 3.32Å |
| 832 | V | 89.8 | Confident | 89.8 | Confident | 90 Ų | 90 | 60 Ų | 60 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.7 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | I920 K922 | V832-I920 CarbonylContact C-O 3.21Å; V832-I920 WeakPolarHBondContact CA-O 3.43Å; V832-I920 HydrophobicContact CG2-CB 4.36Å; V832-K922 HydrophobicContact CG1-CB 3.79Å; V832-K922 HydrophobicContact CG1-CD 4.3Å |
| 833 | V | 90.2 | Very high | 89.7 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.024 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.4 | -178.9 | 174.1 | 0 | 0 | 0 | 0 | 108.5 | V831 L837 F843 L881 L885 V919 I920 V921 K922 | V831-V833 HydrophobicContact CG1-CG2 4.36Å; V831-V833 HydrophobicContact CG2-CG2 4.36Å; V833-L837 HydrophobicContact CG1-CB 4.08Å; V833-L837 HydrophobicContact CG1-CD2 3.7Å; V833-F843 HydrophobicContact CG2-CB 4.11Å; V833-F843 HydrophobicContact CG2-CD2 3.69Å; V833-F843 HydrophobicContact CG2-CE2 4.25Å; V833-F843 HydrophobicContact CG2-CG 3.94Å; V833-L881 HydrophobicContact CG1-CD1 4.2Å; V833-L885 HydrophobicContact CG1-CD1 4.21Å; V833-V919 HydrophobicContact CB-CG1 3.98Å; V833-V919 HydrophobicContact CG2-CG1 3.76Å; V833-I920 PolarHBondContact N-O 3.15Å; V833-V921 CarbonylContact O-C 3.53Å; V833-V921 WeakPolarHBondContact O-CA 3.39Å; V833-K922 PolarHBondContact O-N 3.48Å |
| 834 | E | 87.4 | Confident | 89.9 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 137.1 | 172.9 | -61 | -176.5 | 158.7 | 0 | 0 | 109.2 | N836 L837 K922 M924 | E834-N836 WeakPolarHBondContact CB-OD1 3.2Å; E834-N836 PolarHBondContact O-N 2.85Å; E834-L837 WeakPolarHBondContact O-CB 3.29Å; E834-L837 PolarHBondContact O-N 3.08Å; E834-K922 HydrophobicContact CG-CB 4.49Å; E834-K922 HydrophobicContact CG-CD 4.15Å; E834-K922 IonicContact OE1-NZ 2.98Å; E834-K922 PolarHBondContact OE1-NZ 2.77Å; E834-M924 HydrophobicContact CB-CG 4.12Å; E834-M924 HydrophobicContact CB-SD 4.24Å; E834-M924 HydrophobicContact CG-SD 4.16Å |
| 835 | E | 86.4 | Confident | 89.8 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -29.1 | -174.8 | 72.3 | -174.8 | 114.3 | 0 | 0 | 113.7 | L837 L885 Y887 V921 K922 D923 M924 | E835-L837 PolarHBondContact O-N 3.23Å; E835-L885 VanDerWaalsContact O-O 3.06Å; E835-Y887 WeakPolarHBondContact OE1-CB 3.22Å; E835-Y887 VanDerWaalsContact OE2-CB 3.31Å; E835-Y887 WeakPolarHBondContact OE2-CB 3.31Å; E835-Y887 PolarHBondContact OE2-N 2.87Å; E835-V921 HydrophobicContact CB-CG1 3.79Å; E835-K922 PolarHBondContact N-O 2.87Å; E835-D923 WeakPolarHBondContact OE1-CA 3.42Å; E835-M924 HydrophobicContact CG-CB 3.94Å; E835-M924 HydrophobicContact CG-CG 4.13Å; E835-M924 PolarHBondContact OE1-N 3.44Å |
| 836 | N | 83.8 | Confident | 90 | Very high | 97 Ų | 97 | 59.1 Ų | 59.1 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 4.6 | 176.8 | 68.5 | -1.1 | 0 | 0 | 0 | 113.6 | E834 P838 | E834-N836 WeakPolarHBondContact CB-OD1 3.2Å; E834-N836 PolarHBondContact O-N 2.85Å; N836-P838 WeakPolarHBondContact O-CD 3.43Å |
| 837 | L | 87.7 | Confident | 90.1 | Very high | 47 Ų | 47 | 61.1 Ų | 61.1 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 122.2 | 178.1 | -169.3 | 69.1 | 0 | 0 | 0 | 110 | V833 E834 E835 T841 F843 L881 | V833-L837 HydrophobicContact CG1-CB 4.08Å; V833-L837 HydrophobicContact CG1-CD2 3.7Å; E834-L837 WeakPolarHBondContact O-CB 3.29Å; E834-L837 PolarHBondContact O-N 3.08Å; E835-L837 PolarHBondContact O-N 3.23Å; L837-T841 HydrophobicContact CD1-CG2 4.36Å; L837-T841 VanDerWaalsContact CD2-OG1 3.32Å; L837-T841 WeakPolarHBondContact CD2-OG1 3.5Å; L837-T841 HydrophobicContact CG-CG2 4.45Å; L837-T841 VanDerWaalsContact CG-OG1 3.25Å; L837-T841 WeakPolarHBondContact CG-OG1 3.37Å; L837-F843 HydrophobicContact CD2-CB 4.19Å; L837-L881 HydrophobicContact CB-CD1 3.87Å; L837-L881 HydrophobicContact CD2-CD1 3.66Å; L837-L881 HydrophobicContact CG-CD1 3.9Å |
| 838 | P | 86.4 | Confident | 90.3 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 54% | 0.539 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 143 | -174.4 | -24.7 | 33.6 | 0 | 0 | 0 | 113.7 | N836 G840 T841 | N836-P838 WeakPolarHBondContact O-CD 3.43Å; P838-G840 PolarHBondContact O-N 2.82Å; P838-T841 HydrophobicContact CB-CG2 4.29Å; P838-T841 WeakPolarHBondContact O-CG2 3.19Å; P838-T841 PolarHBondContact O-N 2.89Å; P838-T841 PolarHBondContact O-OG1 2.62Å |
| 839 | A | 86.2 | Confident | 90.2 | Very high | 62 Ų | 62 | 60.5 Ų | 60.5 | 51% | 0.512 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 133.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 840 | G | 87.8 | Confident | 90 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102 | -8.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P838 L881 | P838-G840 PolarHBondContact O-N 2.82Å; G840-L881 WeakPolarHBondContact CA-O 3.4Å; G840-L881 PolarHBondContact N-O 3.5Å |
| 841 | T | 90.6 | Very high | 89.9 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | trans | -77.6 | 134.1 | 177.8 | 56 | 0 | 0 | 0 | 0 | 111.8 | L837 P838 S880 L881 | L837-T841 HydrophobicContact CD1-CG2 4.36Å; L837-T841 VanDerWaalsContact CD2-OG1 3.32Å; L837-T841 WeakPolarHBondContact CD2-OG1 3.5Å; L837-T841 HydrophobicContact CG-CG2 4.45Å; L837-T841 VanDerWaalsContact CG-OG1 3.25Å; L837-T841 WeakPolarHBondContact CG-OG1 3.37Å; P838-T841 HydrophobicContact CB-CG2 4.29Å; P838-T841 WeakPolarHBondContact O-CG2 3.19Å; P838-T841 PolarHBondContact O-N 2.89Å; P838-T841 PolarHBondContact O-OG1 2.62Å; T841-S880 VanDerWaalsContact O-CA 3.25Å; T841-S880 WeakPolarHBondContact O-CA 3.15Å; T841-S880 WeakPolarHBondContact O-CB 3.33Å; T841-L881 PolarHBondContact O-N 3.06Å | ||
| 842 | S | 91.7 | Very high | 89.8 | Confident | 76 Ų | 76 | 58.6 Ų | 58.6 | 53% | 0.531 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.3 | 167 | 55 | 0 | 0 | 0 | 0 | 110.5 | L879 | S842-L879 CarbonylContact C-O 3.56Å; S842-L879 VanDerWaalsContact CA-O 3.3Å; S842-L879 WeakPolarHBondContact CA-O 3.37Å |
| 843 | F | 91.6 | Very high | 89.5 | Confident | 35 Ų | 35 | 60 Ų | 60 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | -15.6 | -176.3 | 63.6 | -93 | 0 | 0 | 0 | 114.1 | V831 V833 L837 F870 L879 L881 V919 | V831-F843 HydrophobicContact CG1-CD2 3.74Å; V831-F843 HydrophobicContact CG1-CE2 3.76Å; V831-F843 HydrophobicContact CG2-CD2 4.23Å; V833-F843 HydrophobicContact CG2-CB 4.11Å; V833-F843 HydrophobicContact CG2-CD2 3.69Å; V833-F843 HydrophobicContact CG2-CE2 4.25Å; V833-F843 HydrophobicContact CG2-CG 3.94Å; L837-F843 HydrophobicContact CD2-CB 4.19Å; F843-F870 AromaticContact CE1-CD1 3.8Å; F843-F870 HydrophobicContact CE1-CD1 3.8Å; F843-F870 HydrophobicContact CE1-CE1 4.15Å; F843-F870 AromaticContact CZ-CD1 3.66Å; F843-F870 HydrophobicContact CZ-CD1 3.66Å; F843-F870 AromaticContact CZ-CE1 3.82Å; F843-F870 HydrophobicContact CZ-CE1 3.82Å; F843-F870 HydrophobicContact CZ-CG 4.48Å; F843-L879 HydrophobicContact CE1-CD2 4.2Å; F843-L879 HydrophobicContact CE1-CG 4.16Å; F843-L879 HydrophobicContact CE2-CD2 3.51Å; F843-L879 HydrophobicContact CE2-CG 4.28Å; F843-L879 HydrophobicContact CZ-CB 4.44Å; F843-L879 HydrophobicContact CZ-CD2 3.3Å; F843-L879 HydrophobicContact CZ-CG 3.74Å; F843-L879 PolarHBondContact N-O 3.41Å; F843-L881 HydrophobicContact CD1-CD2 4.27Å; F843-L881 HydrophobicContact CD1-CG 3.91Å; F843-L881 HydrophobicContact CE1-CD2 3.87Å; F843-L881 HydrophobicContact CE1-CG 3.95Å; F843-V919 HydrophobicContact CE2-CG2 3.81Å; F843-V919 HydrophobicContact CZ-CG2 4.12Å |
| 844 | L | 93.6 | Very high | 89.1 | Confident | 31 Ų | 31 | 63 Ų | 63 | 16% | 0.162 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 145.9 | 178 | 177.9 | 66.8 | 0 | 0 | 0 | 109.6 | Y829 V831 I846 L879 V917 | Y829-L844 HydrophobicContact CD1-CD1 4.22Å; Y829-L844 HydrophobicContact CG-CD2 4.37Å; V831-L844 HydrophobicContact CG1-CD2 4.47Å; L844-I846 HydrophobicContact CD2-CG2 3.97Å; L844-I846 HydrophobicContact CG-CG2 4.15Å; L844-L879 HydrophobicContact CB-CB 4.17Å; L844-L879 HydrophobicContact CB-CD2 4.33Å; L844-L879 HydrophobicContact CD2-CD2 4.15Å; L844-L879 WeakPolarHBondContact O-CB 3.4Å; L844-L879 PolarHBondContact O-N 3.12Å; L844-V917 HydrophobicContact CD2-CG1 3.7Å; L844-V917 HydrophobicContact CD2-CG2 4.33Å |
| 845 | Q | 93.2 | Very high | 89 | Confident | 126 Ų | 126 | 60.6 Ų | 60.6 | 59% | 0.589 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.4 | 170 | -172.9 | 174.8 | 7 | 0 | 0 | 108.5 | T876 G877 E878 | Q845-T876 PolarHBondContact NE2-O 2.96Å; Q845-G877 WeakPolarHBondContact CA-O 3.3Å; Q845-E878 HydrophobicContact CG-CG 4.35Å |
| 846 | I | 93.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | trans | -104.3 | 147.1 | 175.8 | 65.4 | 178.8 | 0 | 0 | 0 | 109.8 | F824 Y829 L844 Y859 L872 G877 V901 | F824-I846 HydrophobicContact CD1-CB 4.45Å; F824-I846 HydrophobicContact CE1-CB 4.25Å; F824-I846 HydrophobicContact CE1-CD1 3.73Å; F824-I846 HydrophobicContact CE1-CG1 4.14Å; F824-I846 HydrophobicContact CZ-CD1 4.29Å; Y829-I846 HydrophobicContact CD1-CG2 4.31Å; Y829-I846 HydrophobicContact CD2-CG2 4.01Å; Y829-I846 HydrophobicContact CE1-CG2 4.28Å; Y829-I846 HydrophobicContact CE2-CB 4.33Å; Y829-I846 HydrophobicContact CE2-CG2 3.97Å; Y829-I846 HydrophobicContact CG-CG2 4.18Å; L844-I846 HydrophobicContact CD2-CG2 3.97Å; L844-I846 HydrophobicContact CG-CG2 4.15Å; I846-Y859 HydrophobicContact CD1-CD1 4.1Å; I846-Y859 HydrophobicContact CG1-CD1 4.18Å; I846-Y859 HydrophobicContact CG1-CE1 4.46Å; I846-L872 HydrophobicContact CD1-CD1 3.8Å; I846-L872 HydrophobicContact CD1-CD2 3.83Å; I846-L872 HydrophobicContact CD1-CG 4.47Å; I846-L872 HydrophobicContact CG1-CD1 4.08Å; I846-G877 WeakPolarHBondContact CG1-O 3.15Å; I846-G877 PolarHBondContact N-O 2.97Å; I846-G877 WeakPolarHBondContact O-CA 3.44Å; I846-V901 HydrophobicContact CD1-CB 3.95Å; I846-V901 HydrophobicContact CD1-CG1 4.26Å; I846-V901 HydrophobicContact CD1-CG2 3.68Å | ||
| 847 | E | 93.2 | Very high | 89.4 | Confident | 125 Ų | 125 | 60 Ų | 60 | 58% | 0.584 | 36% | 0.363 | S | S | * | . | trans | -138.8 | 130.8 | 179.7 | -175.2 | 175.6 | -171.3 | 0 | 0 | 109.2 | F824 T825 Y829 | F824-E847 WeakPolarHBondContact CA-O 2.74Å; T825-E847 PolarHBondContact N-O 2.94Å; T825-E847 PolarHBondContact OG1-O 3.34Å; Y829-E847 PolarHBondContact OH-O 2.88Å | ||
| 848 | A | 92.7 | Very high | 89.7 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 7% | 0.066 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P822 V823 F824 V857 Y859 A903 | P822-A848 HydrophobicContact CB-CB 4.43Å; V823-A848 CarbonylContact O-C 3.52Å; V823-A848 WeakPolarHBondContact O-CA 3.31Å; V823-A848 WeakPolarHBondContact O-CB 3.45Å; F824-A848 HydrophobicContact CB-CB 4.5Å; F824-A848 HydrophobicContact CD1-CB 3.73Å; F824-A848 HydrophobicContact CE1-CB 4.01Å; F824-A848 HydrophobicContact CG-CB 4Å; A848-V857 HydrophobicContact CB-CG1 4.17Å; A848-Y859 HydrophobicContact CB-CE1 3.84Å; A848-Y859 PolarHBondContact N-OH 3.49Å; A848-Y859 PolarHBondContact O-OH 2.99Å; A848-A903 HydrophobicContact CB-CB 3.5Å; A848-A903 VanDerWaalsContact CB-CB 3.5Å |
| 849 | K | 89.7 | Confident | 90.1 | Very high | 150 Ų | 150 | 55.3 Ų | 55.3 | 65% | 0.652 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.8 | 180 | -172.9 | 179.3 | 177.9 | -170.2 | 0 | 109.5 | V823 | V823-K849 PolarHBondContact N-O 2.88Å; V823-K849 PolarHBondContact O-N 3.48Å |
| 850 | D | 90.2 | Very high | 90.5 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.08 | 33% | 0.331 | C | S | . | . | trans | -104.6 | 138.9 | 168.1 | -162.8 | -34.7 | 0 | 0 | 0 | 108 | P822 D852 A855 V857 | P822-D850 HydrophobicContact CB-CB 4.32Å; P822-D850 WeakPolarHBondContact CD-OD2 3.5Å; P822-D850 HydrophobicContact CG-CB 4.18Å; P822-D850 WeakPolarHBondContact CG-OD2 3.32Å; D850-D852 PolarHBondContact OD1-N 2.87Å; D850-D852 VanDerWaalsContact OD1-N 3.08Å; D850-A855 HydrophobicContact CB-CB 3.48Å; D850-A855 VanDerWaalsContact CB-CB 3.48Å; D850-V857 HydrophobicContact CB-CG2 3.97Å | ||
| 851 | V | 88.7 | Confident | 90.9 | Very high | 74 Ų | 74 | 55.9 Ų | 55.9 | 45% | 0.448 | 30% | 0.304 | S | S | . | . | trans | -92.3 | -11.4 | -175 | -68.2 | 0 | 0 | 0 | 0 | 112.6 | R784 E785 N820 | R784-V851 PolarHBondContact NH2-O 2.92Å; E785-V851 HydrophobicContact CG-CB 4.05Å; E785-V851 HydrophobicContact CG-CG2 3.74Å; N820-V851 HydrophobicContact CB-CG2 3.52Å; N820-V851 WeakPolarHBondContact ND2-CG2 3.38Å | ||
| 852 | D | 90.3 | Very high | 91 | Very high | 11 Ų | 11 | 60 Ų | 60 | 6% | 0.059 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -71.8 | 155.4 | -178.5 | -63.2 | -15.7 | 0 | 0 | 0 | 112.3 | D818 D819 N820 D850 G854 | D818-D852 WeakPolarHBondContact CA-OD2 3.42Å; D819-D852 PolarHBondContact N-OD2 2.73Å; D819-D852 VanDerWaalsContact N-OD2 3.17Å; N820-D852 WeakPolarHBondContact CB-OD1 3.1Å; N820-D852 PolarHBondContact N-OD2 2.93Å; N820-D852 PolarHBondContact ND2-OD1 2.99Å; D850-D852 PolarHBondContact OD1-N 2.87Å; D850-D852 VanDerWaalsContact OD1-N 3.08Å; D852-G854 PolarHBondContact O-N 3.4Å |
| 853 | L | 84.3 | Confident | 91.1 | Very high | 119 Ų | 119 | 57 Ų | 57 | 62% | 0.623 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 116.1 | -174.9 | -81.2 | 172 | 0 | 0 | 0 | 111.8 | D816 | D816-L853 HydrophobicContact CB-CB 4.25Å; D816-L853 HydrophobicContact CB-CD1 4.19Å; D816-L853 PolarHBondContact OD1-N 2.63Å; D816-L853 VanDerWaalsContact OD1-N 3.15Å; D816-L853 WeakPolarHBondContact OD2-CB 3.29Å; D816-L853 PolarHBondContact OD2-N 3.07Å; D816-L853 VanDerWaalsContact OD2-N 3.14Å |
| 854 | G | 82.5 | Confident | 90.9 | Very high | 69 Ų | 69 | 59.7 Ų | 59.7 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 10.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D852 | D852-G854 PolarHBondContact O-N 3.4Š|
| 855 | A | 84.1 | Confident | 90.6 | Very high | 32 Ų | 32 | 63.4 Ų | 63.4 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | trans | -56.3 | 136.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D850 | D850-A855 HydrophobicContact CB-CB 3.48Å; D850-A855 VanDerWaalsContact CB-CB 3.48Å | ||
| 856 | N | 89.1 | Confident | 90.5 | Very high | 70 Ų | 70 | 57.8 Ų | 57.8 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | trans | -129.2 | 89.9 | -178.3 | -169.5 | 4.9 | 0 | 0 | 0 | 109.8 | D905 I906 Y907 | N856-D905 WeakPolarHBondContact CA-OD1 3.44Å; N856-D905 PolarHBondContact N-OD1 3.12Å; N856-I906 HydrophobicContact CB-CD1 4.37Å; N856-I906 WeakPolarHBondContact O-CD1 3.29Å; N856-I906 WeakPolarHBondContact O-CG1 3.18Å; N856-I906 PolarHBondContact O-N 2.83Å; N856-Y907 HydrophobicContact CB-CD2 4.45Å; N856-Y907 HydrophobicContact CB-CE2 4.46Å | ||
| 857 | V | 90.9 | Very high | 90.3 | Very high | 23 Ų | 23 | 63 Ų | 63 | 14% | 0.139 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 130.4 | -172 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | P822 A848 D850 Y859 A903 | P822-V857 HydrophobicContact CB-CG1 4.23Å; P822-V857 HydrophobicContact CB-CG2 4.16Å; P822-V857 HydrophobicContact CG-CG2 4.36Å; A848-V857 HydrophobicContact CB-CG1 4.17Å; D850-V857 HydrophobicContact CB-CG2 3.97Å; V857-Y859 HydrophobicContact CG1-CE1 4.02Å; V857-Y859 HydrophobicContact CG1-CE2 4.46Å; V857-A903 HydrophobicContact CG1-CB 3.81Å |
| 858 | S | 93.5 | Very high | 90.1 | Very high | 12 Ų | 12 | 62 Ų | 62 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.5 | 174.6 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | P874 A903 F904 | S858-P874 CarbonylContact C-O 3.57Å; S858-P874 VanDerWaalsContact CA-O 3.29Å; S858-P874 WeakPolarHBondContact CA-O 2.9Å; S858-A903 WeakPolarHBondContact O-CA 3.42Å; S858-F904 PolarHBondContact N-O 3.38Å; S858-F904 VanDerWaalsContact O-CD1 3.32Å; S858-F904 WeakPolarHBondContact O-CD1 3.37Å; S858-F904 PolarHBondContact O-N 3.22Å |
| 859 | Y | 95.1 | Very high | 90 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 8% | 0.078 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 141.8 | -175.4 | -55 | -79.6 | 0 | 0 | 0 | 112.1 | F824 I846 A848 V857 P874 E902 A903 | F824-Y859 AromaticContact CE1-CD1 3.86Å; F824-Y859 HydrophobicContact CE1-CD1 3.86Å; F824-Y859 AromaticContact CE1-CE1 3.82Å; F824-Y859 HydrophobicContact CE1-CE1 3.82Å; F824-Y859 HydrophobicContact CZ-CD1 4.23Å; F824-Y859 HydrophobicContact CZ-CE1 4.5Å; I846-Y859 HydrophobicContact CD1-CD1 4.1Å; I846-Y859 HydrophobicContact CG1-CD1 4.18Å; I846-Y859 HydrophobicContact CG1-CE1 4.46Å; A848-Y859 HydrophobicContact CB-CE1 3.84Å; A848-Y859 PolarHBondContact N-OH 3.49Å; A848-Y859 PolarHBondContact O-OH 2.99Å; V857-Y859 HydrophobicContact CG1-CE1 4.02Å; V857-Y859 HydrophobicContact CG1-CE2 4.46Å; Y859-P874 WeakPolarHBondContact CD2-O 3.3Å; Y859-P874 PolarHBondContact N-O 3.31Å; Y859-P874 WeakPolarHBondContact O-CA 3.31Å; Y859-E902 WeakPolarHBondContact CA-O 3.19Å; Y859-A903 HydrophobicContact CD1-CB 3.96Å; Y859-A903 HydrophobicContact CE1-CB 3.98Å |
| 860 | R | 94 | Very high | 90.2 | Very high | 122 Ų | 122 | 55.9 Ų | 55.9 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 158.7 | 168 | 68.2 | -173.3 | -171 | -148 | -8.8 | 112.9 | E902 F904 | R860-E902 HydrophobicContact CG-CG 3.66Å; R860-E902 IonicContact CZ-OE1 3.26Å; R860-E902 PolarHBondContact N-O 3.38Å; R860-E902 IonicContact NE-OE1 3.81Å; R860-E902 PolarHBondContact NE-OE1 3.34Å; R860-E902 IonicContact NH2-OE1 3.86Å; R860-E902 PolarHBondContact NH2-OE1 3.19Å; R860-E902 PolarHBondContact O-N 3.41Å; R860-F904 HydrophobicContact CG-CE1 3.91Å |
| 861 | I | 95.1 | Very high | 90.3 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.056 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122.4 | 173.7 | -59.6 | 174.4 | 0 | 0 | 0 | 108.3 | S863 V866 K867 F870 L872 L879 F899 V901 | I861-S863 VanDerWaalsContact CG2-O 3.3Å; I861-S863 WeakPolarHBondContact CG2-O 3.32Å; I861-V866 HydrophobicContact CG2-CG2 3.67Å; I861-K867 HydrophobicContact CB-CG 4.35Å; I861-K867 HydrophobicContact CG2-CG 4.16Å; I861-K867 WeakPolarHBondContact O-CE 3.34Å; I861-K867 PolarHBondContact O-NZ 2.85Å; I861-F870 HydrophobicContact CD1-CB 3.99Å; I861-F870 WeakPolarHBondContact CD1-O 3.27Å; I861-L872 HydrophobicContact CD1-CB 4.11Å; I861-L872 HydrophobicContact CG1-CB 3.75Å; I861-L872 HydrophobicContact CG1-CD2 4.1Å; I861-L879 HydrophobicContact CD1-CD1 4.32Å; I861-F899 HydrophobicContact CG1-CE2 4.44Å; I861-F899 HydrophobicContact CG2-CD2 4.11Å; I861-F899 HydrophobicContact CG2-CE2 4.38Å; I861-V901 HydrophobicContact CG1-CG1 4.49Å |
| 862 | R | 93.4 | Very high | 90.6 | Very high | 129 Ų | 129 | 54.1 Ų | 54.1 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | trans | -77.8 | -50.5 | 177.9 | -172.7 | 179.4 | -179.3 | -140.1 | 2.2 | 110.6 | P864 L900 E902 | R862-P864 WeakPolarHBondContact O-CD 3.42Å; R862-L900 HydrophobicContact CB-CB 4.12Å; R862-L900 PolarHBondContact N-O 2.91Å; R862-E902 HydrophobicContact CB-CG 4.42Å | ||
| 863 | S | 93.1 | Very high | 90.8 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | trans | -59.3 | 103.2 | 177.2 | -82.6 | 0 | 0 | 0 | 0 | 112.9 | I861 E865 L900 | I861-S863 VanDerWaalsContact CG2-O 3.3Å; I861-S863 WeakPolarHBondContact CG2-O 3.32Å; S863-E865 VanDerWaalsContact C-N 3.28Å; S863-E865 WeakPolarHBondContact CB-OE1 3.48Å; S863-E865 PolarHBondContact O-N 2.77Å; S863-E865 PolarHBondContact OG-OE1 3.01Å; S863-L900 PolarHBondContact OG-N 3.15Å | ||
| 864 | P | 88.2 | Confident | 91.2 | Very high | 90 Ų | 90 | 54.5 Ų | 54.5 | 58% | 0.584 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -64.7 | -30 | -177.8 | 26.8 | -35.5 | 0 | 0 | 0 | 113.8 | R862 V866 K867 | R862-P864 WeakPolarHBondContact O-CD 3.42Å; P864-V866 VanDerWaalsContact C-N 3.26Å; P864-V866 PolarHBondContact O-N 2.97Å; P864-K867 WeakPolarHBondContact O-CB 3.33Å; P864-K867 PolarHBondContact O-N 3.18Å |
| 865 | E | 88.6 | Confident | 91.6 | Very high | 110 Ų | 110 | 57.2 Ų | 57.2 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -61.2 | -29.6 | -176.1 | 60 | -77 | 175.4 | 0 | 0 | 113.3 | S863 H868 | S863-E865 VanDerWaalsContact C-N 3.28Å; S863-E865 WeakPolarHBondContact CB-OE1 3.48Å; S863-E865 PolarHBondContact O-N 2.77Å; S863-E865 PolarHBondContact OG-OE1 3.01Å; E865-H868 PolarHBondContact O-CE1 2.72Å; E865-H868 PolarHBondContact O-ND1 2.86Å |
| 866 | V | 90.8 | Very high | 92 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -97.3 | -3.5 | -179.2 | -55.5 | 0 | 0 | 0 | 0 | 114.3 | I861 P864 H868 L869 F870 I897 F899 | I861-V866 HydrophobicContact CG2-CG2 3.67Å; P864-V866 VanDerWaalsContact C-N 3.26Å; P864-V866 PolarHBondContact O-N 2.97Å; V866-H868 PolarHBondContact O-N 3.21Å; V866-L869 PolarHBondContact O-N 3.04Å; V866-F870 HydrophobicContact CB-CD2 3.79Å; V866-F870 HydrophobicContact CB-CE2 4.12Å; V866-F870 HydrophobicContact CG1-CE2 4.42Å; V866-F870 HydrophobicContact CG2-CD2 4.06Å; V866-F870 PolarHBondContact O-N 2.97Å; V866-I897 HydrophobicContact CG1-CG2 3.75Å; V866-F899 HydrophobicContact CB-CB 4.46Å; V866-F899 HydrophobicContact CB-CG 4.4Å; V866-F899 HydrophobicContact CG1-CB 3.88Å; V866-F899 HydrophobicContact CG1-CD1 4.24Å; V866-F899 HydrophobicContact CG1-CG 4.2Å; V866-F899 HydrophobicContact CG2-CB 3.78Å; V866-F899 HydrophobicContact CG2-CD1 4.13Å; V866-F899 HydrophobicContact CG2-CD2 3.72Å; V866-F899 HydrophobicContact CG2-CE2 4.28Å; V866-F899 HydrophobicContact CG2-CG 3.62Å |
| 867 | K | 89 | Confident | 92.1 | Very high | 111 Ų | 111 | 55 Ų | 55 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -16.4 | -176.3 | -70.3 | -175.3 | 178.7 | 180 | 0 | 114.3 | I861 P864 L882 | I861-K867 HydrophobicContact CB-CG 4.35Å; I861-K867 HydrophobicContact CG2-CG 4.16Å; I861-K867 WeakPolarHBondContact O-CE 3.34Å; I861-K867 PolarHBondContact O-NZ 2.85Å; P864-K867 WeakPolarHBondContact O-CB 3.33Å; P864-K867 PolarHBondContact O-N 3.18Å; K867-L882 WeakPolarHBondContact O-CD1 3.47Å |
| 868 | H | 88.5 | Confident | 92.3 | Very high | 105 Ų | 105 | 58 Ų | 58 | 49% | 0.486 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -10.2 | 174.9 | 72.8 | -83.1 | 0 | 0 | 0 | 113.1 | E865 V866 | E865-H868 PolarHBondContact O-CE1 2.72Å; E865-H868 PolarHBondContact O-ND1 2.86Å; V866-H868 PolarHBondContact O-N 3.21Å |
| 869 | L | 90.8 | Very high | 92.3 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -38.8 | 179.5 | -61.4 | 176.4 | 0 | 0 | 0 | 112 | V866 L882 R883 I897 | V866-L869 PolarHBondContact O-N 3.04Å; L869-L882 PolarHBondContact O-N 3.41Å; L869-R883 HydrophobicContact CD2-CB 4.34Å; L869-I897 HydrophobicContact CD1-CD1 3.96Å |
| 870 | F | 94.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 144.4 | -175.9 | -50.4 | -60.4 | 0 | 0 | 0 | 112.1 | F843 I861 V866 L879 S880 L881 L885 I897 F899 V919 | F843-F870 AromaticContact CE1-CD1 3.8Å; F843-F870 HydrophobicContact CE1-CD1 3.8Å; F843-F870 HydrophobicContact CE1-CE1 4.15Å; F843-F870 AromaticContact CZ-CD1 3.66Å; F843-F870 HydrophobicContact CZ-CD1 3.66Å; F843-F870 AromaticContact CZ-CE1 3.82Å; F843-F870 HydrophobicContact CZ-CE1 3.82Å; F843-F870 HydrophobicContact CZ-CG 4.48Å; I861-F870 HydrophobicContact CD1-CB 3.99Å; I861-F870 WeakPolarHBondContact CD1-O 3.27Å; V866-F870 HydrophobicContact CB-CD2 3.79Å; V866-F870 HydrophobicContact CB-CE2 4.12Å; V866-F870 HydrophobicContact CG1-CE2 4.42Å; V866-F870 HydrophobicContact CG2-CD2 4.06Å; V866-F870 PolarHBondContact O-N 2.97Å; F870-L879 HydrophobicContact CB-CD1 4.33Å; F870-S880 CarbonylContact C-O 3.59Å; F870-S880 WeakPolarHBondContact CA-O 3.43Å; F870-L881 HydrophobicContact CD1-CD2 3.83Å; F870-L881 HydrophobicContact CE1-CD2 3.59Å; F870-L885 HydrophobicContact CE1-CD1 4.39Å; F870-L885 HydrophobicContact CE1-CD2 4.49Å; F870-I897 HydrophobicContact CE2-CB 4.4Å; F870-I897 HydrophobicContact CE2-CD1 4.25Å; F870-I897 HydrophobicContact CE2-CG2 3.95Å; F870-I897 HydrophobicContact CZ-CB 4.45Å; F870-I897 HydrophobicContact CZ-CD1 3.85Å; F870-I897 HydrophobicContact CZ-CG2 4.48Å; F870-F899 HydrophobicContact CD2-CD1 4.06Å; F870-F899 AromaticContact CD2-CE1 3.42Å; F870-F899 HydrophobicContact CD2-CE1 3.42Å; F870-F899 VanDerWaalsContact CD2-CE1 3.42Å; F870-F899 HydrophobicContact CD2-CE2 4.46Å; F870-F899 AromaticContact CD2-CZ 3.66Å; F870-F899 HydrophobicContact CD2-CZ 3.66Å; F870-F899 AromaticContact CE2-CD1 3.89Å; F870-F899 HydrophobicContact CE2-CD1 3.89Å; F870-F899 AromaticContact CE2-CE1 3.4Å; F870-F899 HydrophobicContact CE2-CE1 3.4Å; F870-F899 HydrophobicContact CE2-CZ 4.12Å; F870-F899 HydrophobicContact CG-CE1 4.29Å; F870-F899 HydrophobicContact CG-CZ 4.21Å; F870-F899 HydrophobicContact CZ-CE1 4.24Å; F870-V919 HydrophobicContact CE1-CG2 4.33Å; F870-V919 HydrophobicContact CZ-CB 4.31Å; F870-V919 HydrophobicContact CZ-CG1 4.46Å; F870-V919 HydrophobicContact CZ-CG2 3.99Å |
| 871 | A | 93.2 | Very high | 92.2 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | L879 S880 L882 | A871-L879 CarbonylContact O-C 3.54Å; A871-L879 WeakPolarHBondContact O-CA 3.22Å; A871-S880 PolarHBondContact N-O 2.67Å; A871-S880 PolarHBondContact O-N 3.16Å; A871-S880 PolarHBondContact O-OG 3.26Å; A871-L882 HydrophobicContact CB-CD1 4.04Å; A871-L882 HydrophobicContact CB-CD2 3.86Å; A871-L882 HydrophobicContact CB-CG 3.81Å |
| 872 | L | 95.1 | Very high | 91.9 | Very high | 23 Ų | 23 | 55.8 Ų | 55.8 | 12% | 0.12 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123.4 | 176.8 | 179.6 | 55 | 0 | 0 | 0 | 109.2 | I846 I861 E878 L879 V901 | I846-L872 HydrophobicContact CD1-CD1 3.8Å; I846-L872 HydrophobicContact CD1-CD2 3.83Å; I846-L872 HydrophobicContact CD1-CG 4.47Å; I846-L872 HydrophobicContact CG1-CD1 4.08Å; I861-L872 HydrophobicContact CD1-CB 4.11Å; I861-L872 HydrophobicContact CG1-CB 3.75Å; I861-L872 HydrophobicContact CG1-CD2 4.1Å; L872-E878 WeakPolarHBondContact CA-O 3.12Å; L872-L879 HydrophobicContact CB-CD1 3.82Å; L872-L879 HydrophobicContact CD1-CB 4.39Å; L872-L879 HydrophobicContact CD1-CD1 4.01Å; L872-L879 HydrophobicContact CG-CD1 4.37Å; L872-V901 HydrophobicContact CD2-CB 4.17Å; L872-V901 HydrophobicContact CD2-CG1 3.9Å |
| 873 | H | 93.9 | Very high | 91.5 | Very high | 88 Ų | 88 | 56.6 Ų | 56.6 | 41% | 0.407 | 28% | 0.284 | S | S | . | . | trans | -77.3 | 125.3 | 179.9 | -172 | -86.1 | 0 | 0 | 0 | 110.8 | F875 T876 G877 E878 | H873-F875 VanDerWaalsContact C-N 3.3Å; H873-F875 PolarHBondContact O-N 2.78Å; H873-F875 VanDerWaalsContact O-N 3.16Å; H873-T876 VanDerWaalsContact CB-OG1 3.27Å; H873-T876 WeakPolarHBondContact CB-OG1 3.43Å; H873-T876 PolarHBondContact ND1-N 2.92Å; H873-T876 PolarHBondContact ND1-OG1 3.45Å; H873-G877 PolarHBondContact O-N 2.87Å; H873-G877 VanDerWaalsContact O-N 3.14Å; H873-E878 HydrophobicContact CB-CB 4.42Å; H873-E878 PolarHBondContact N-O 3.38Å | ||
| 874 | P | 92.5 | Very high | 91 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -24.1 | -164.6 | 23.2 | -33.8 | 0 | 0 | 0 | 114.9 | S858 Y859 | S858-P874 CarbonylContact C-O 3.57Å; S858-P874 VanDerWaalsContact CA-O 3.29Å; S858-P874 WeakPolarHBondContact CA-O 2.9Å; Y859-P874 WeakPolarHBondContact CD2-O 3.3Å; Y859-P874 PolarHBondContact N-O 3.31Å; Y859-P874 WeakPolarHBondContact O-CA 3.31Å |
| 875 | F | 91.1 | Very high | 90.9 | Very high | 127 Ų | 127 | 56 Ų | 56 | 56% | 0.557 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | -15.4 | -176.3 | -56.4 | -71.7 | 0 | 0 | 0 | 114.5 | H873 I906 | H873-F875 VanDerWaalsContact C-N 3.3Å; H873-F875 PolarHBondContact O-N 2.78Å; H873-F875 VanDerWaalsContact O-N 3.16Å; F875-I906 HydrophobicContact CE1-CD1 3.9Å |
| 876 | T | 91.8 | Very high | 90.7 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 34% | 0.344 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -15.6 | -177.8 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | Q845 H873 E878 | Q845-T876 PolarHBondContact NE2-O 2.96Å; H873-T876 VanDerWaalsContact CB-OG1 3.27Å; H873-T876 WeakPolarHBondContact CB-OG1 3.43Å; H873-T876 PolarHBondContact ND1-N 2.92Å; H873-T876 PolarHBondContact ND1-OG1 3.45Å; T876-E878 PolarHBondContact O-N 3.17Å |
| 877 | G | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | 69.8 | 11.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q845 I846 H873 L879 | Q845-G877 WeakPolarHBondContact CA-O 3.3Å; I846-G877 WeakPolarHBondContact CG1-O 3.15Å; I846-G877 PolarHBondContact N-O 2.97Å; I846-G877 WeakPolarHBondContact O-CA 3.44Å; H873-G877 PolarHBondContact O-N 2.87Å; H873-G877 VanDerWaalsContact O-N 3.14Å; G877-L879 PolarHBondContact O-N 3.3Å | ||
| 878 | E | 94.2 | Very high | 89.8 | Confident | 86 Ų | 86 | 52.9 Ų | 52.9 | 40% | 0.402 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 125.2 | 177.7 | -70.5 | 179 | 167.1 | 0 | 0 | 110.9 | Q845 L872 H873 T876 | Q845-E878 HydrophobicContact CG-CG 4.35Å; L872-E878 WeakPolarHBondContact CA-O 3.12Å; H873-E878 HydrophobicContact CB-CB 4.42Å; H873-E878 PolarHBondContact N-O 3.38Å; T876-E878 PolarHBondContact O-N 3.17Å |
| 879 | L | 94.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.8 | 177.1 | -165 | 78.1 | 0 | 0 | 0 | 109.3 | S842 F843 L844 I861 F870 A871 L872 G877 F899 V917 | S842-L879 CarbonylContact C-O 3.56Å; S842-L879 VanDerWaalsContact CA-O 3.3Å; S842-L879 WeakPolarHBondContact CA-O 3.37Å; F843-L879 HydrophobicContact CE1-CD2 4.2Å; F843-L879 HydrophobicContact CE1-CG 4.16Å; F843-L879 HydrophobicContact CE2-CD2 3.51Å; F843-L879 HydrophobicContact CE2-CG 4.28Å; F843-L879 HydrophobicContact CZ-CB 4.44Å; F843-L879 HydrophobicContact CZ-CD2 3.3Å; F843-L879 HydrophobicContact CZ-CG 3.74Å; F843-L879 PolarHBondContact N-O 3.41Å; L844-L879 HydrophobicContact CB-CB 4.17Å; L844-L879 HydrophobicContact CB-CD2 4.33Å; L844-L879 HydrophobicContact CD2-CD2 4.15Å; L844-L879 WeakPolarHBondContact O-CB 3.4Å; L844-L879 PolarHBondContact O-N 3.12Å; I861-L879 HydrophobicContact CD1-CD1 4.32Å; F870-L879 HydrophobicContact CB-CD1 4.33Å; A871-L879 CarbonylContact O-C 3.54Å; A871-L879 WeakPolarHBondContact O-CA 3.22Å; L872-L879 HydrophobicContact CB-CD1 3.82Å; L872-L879 HydrophobicContact CD1-CB 4.39Å; L872-L879 HydrophobicContact CD1-CD1 4.01Å; L872-L879 HydrophobicContact CG-CD1 4.37Å; G877-L879 PolarHBondContact O-N 3.3Å; L879-F899 HydrophobicContact CD1-CE2 4.5Å; L879-F899 HydrophobicContact CD1-CZ 4.31Å; L879-F899 HydrophobicContact CD2-CZ 3.8Å; L879-V917 HydrophobicContact CD2-CG1 4.1Å |
| 880 | S | 93.8 | Very high | 88.8 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 154.3 | -173.3 | 59.2 | 0 | 0 | 0 | 0 | 112.6 | T841 F870 A871 | T841-S880 VanDerWaalsContact O-CA 3.25Å; T841-S880 WeakPolarHBondContact O-CA 3.15Å; T841-S880 WeakPolarHBondContact O-CB 3.33Å; F870-S880 CarbonylContact C-O 3.59Å; F870-S880 WeakPolarHBondContact CA-O 3.43Å; A871-S880 PolarHBondContact N-O 2.67Å; A871-S880 PolarHBondContact O-N 3.16Å; A871-S880 PolarHBondContact O-OG 3.26Å |
| 881 | L | 92.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 131 | 176 | -70.4 | 177 | 0 | 0 | 0 | 110.9 | V833 L837 G840 T841 F843 F870 L885 | V833-L881 HydrophobicContact CG1-CD1 4.2Å; L837-L881 HydrophobicContact CB-CD1 3.87Å; L837-L881 HydrophobicContact CD2-CD1 3.66Å; L837-L881 HydrophobicContact CG-CD1 3.9Å; G840-L881 WeakPolarHBondContact CA-O 3.4Å; G840-L881 PolarHBondContact N-O 3.5Å; T841-L881 PolarHBondContact O-N 3.06Å; F843-L881 HydrophobicContact CD1-CD2 4.27Å; F843-L881 HydrophobicContact CD1-CG 3.91Å; F843-L881 HydrophobicContact CE1-CD2 3.87Å; F843-L881 HydrophobicContact CE1-CG 3.95Å; F870-L881 HydrophobicContact CD1-CD2 3.83Å; F870-L881 HydrophobicContact CE1-CD2 3.59Å; L881-L885 HydrophobicContact CD2-CD1 3.99Å; L881-L885 HydrophobicContact CD2-CD2 4.46Å; L881-L885 HydrophobicContact CD2-CG 4.05Å |
| 882 | L | 89.4 | Confident | 86 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -92.4 | -29.8 | 168.3 | -72.1 | 173.8 | 0 | 0 | 0 | 112.2 | K867 L869 A871 | K867-L882 WeakPolarHBondContact O-CD1 3.47Å; L869-L882 PolarHBondContact O-N 3.41Å; A871-L882 HydrophobicContact CB-CD1 4.04Å; A871-L882 HydrophobicContact CB-CD2 3.86Å; A871-L882 HydrophobicContact CB-CG 3.81Å |
| 883 | R | 85.7 | Confident | 84.2 | Confident | 146 Ų | 146 | 68.3 Ų | 68.3 | 55% | 0.551 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -134.3 | 151.6 | 177.4 | -68.7 | -178 | 65.7 | -148.5 | -3.7 | 108.9 | L869 | L869-R883 HydrophobicContact CD2-CB 4.34Š|
| 884 | S | 81.8 | Confident | 83 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | trans | -61.8 | 145.9 | 168.2 | 51.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 885 | L | 87.1 | Confident | 82.5 | Confident | 12 Ų | 12 | 69.5 Ų | 69.5 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | trans | -90 | 155.1 | 171.5 | -56.7 | 177.2 | 0 | 0 | 0 | 107.7 | V833 E835 F870 L881 I897 V919 V921 | V833-L885 HydrophobicContact CG1-CD1 4.21Å; E835-L885 VanDerWaalsContact O-O 3.06Å; F870-L885 HydrophobicContact CE1-CD1 4.39Å; F870-L885 HydrophobicContact CE1-CD2 4.49Å; L881-L885 HydrophobicContact CD2-CD1 3.99Å; L881-L885 HydrophobicContact CD2-CD2 4.46Å; L881-L885 HydrophobicContact CD2-CG 4.05Å; L885-I897 HydrophobicContact CD2-CD1 3.99Å; L885-V919 HydrophobicContact CD1-CG1 4.2Å; L885-V921 HydrophobicContact CB-CG1 4.19Å; L885-V921 HydrophobicContact CB-CG2 4.29Å; L885-V921 HydrophobicContact CD1-CG2 3.82Å | ||
| 886 | D | 82.9 | Confident | 82.4 | Confident | 76 Ų | 76 | 65.8 Ų | 65.8 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | trans | -135.8 | 113 | -175.4 | 172.4 | -12.6 | 0 | 0 | 0 | 105.3 | E888 A889 F890 | D886-E888 PolarHBondContact OD1-N 3.05Å; D886-A889 HydrophobicContact CB-CB 4.13Å; D886-A889 PolarHBondContact O-N 2.83Å; D886-A889 PolarHBondContact OD1-N 2.98Å; D886-F890 WeakPolarHBondContact O-CD2 3.43Å; D886-F890 VanDerWaalsContact O-CE2 3.24Å; D886-F890 WeakPolarHBondContact O-CE2 3.11Å | ||
| 887 | Y | 82.6 | Confident | 82.4 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 13% | 0.129 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -67.9 | -38 | -172.8 | -177.2 | -89.7 | 0 | 0 | 0 | 110.9 | E835 A889 F890 A895 V921 D923 P960 | E835-Y887 WeakPolarHBondContact OE1-CB 3.22Å; E835-Y887 VanDerWaalsContact OE2-CB 3.31Å; E835-Y887 WeakPolarHBondContact OE2-CB 3.31Å; E835-Y887 PolarHBondContact OE2-N 2.87Å; Y887-A889 PolarHBondContact O-N 3.39Å; Y887-F890 PolarHBondContact O-N 3.38Å; Y887-A895 HydrophobicContact CD2-CB 3.32Å; Y887-A895 HydrophobicContact CE2-CB 3.31Å; Y887-A895 HydrophobicContact CG-CB 4.14Å; Y887-V921 HydrophobicContact CD2-CB 4.32Å; Y887-V921 HydrophobicContact CD2-CG1 4.22Å; Y887-V921 WeakPolarHBondContact CD2-O 3.2Å; Y887-V921 WeakPolarHBondContact CE2-O 3.32Å; Y887-D923 HydrophobicContact CD1-CB 3.8Å; Y887-D923 HydrophobicContact CD2-CB 3.84Å; Y887-D923 HydrophobicContact CE1-CB 3.8Å; Y887-D923 HydrophobicContact CE2-CB 3.82Å; Y887-D923 HydrophobicContact CG-CB 3.83Å; Y887-P960 HydrophobicContact CD1-CG 4.17Å; Y887-P960 HydrophobicContact CE1-CG 3.99Å |
| 888 | E | 78.9 | Confident | 82.4 | Confident | 54 Ų | 54 | 67.9 Ų | 67.9 | 25% | 0.252 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -17.1 | -178.6 | -71.4 | 59.6 | -123.7 | 0 | 0 | 113.1 | D886 F890 Y927 P960 | D886-E888 PolarHBondContact OD1-N 3.05Å; E888-F890 VanDerWaalsContact C-N 3.31Å; E888-F890 PolarHBondContact O-N 2.68Å; E888-Y927 HydrophobicContact CG-CE2 4.12Å; E888-P960 WeakPolarHBondContact OE1-CD 3.37Å |
| 889 | A | 78.7 | Confident | 82.4 | Confident | 72 Ų | 72 | 64 Ų | 64 | 60% | 0.595 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -10.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | D886 Y887 | D886-A889 HydrophobicContact CB-CB 4.13Å; D886-A889 PolarHBondContact O-N 2.83Å; D886-A889 PolarHBondContact OD1-N 2.98Å; Y887-A889 PolarHBondContact O-N 3.39Å |
| 890 | F | 79 | Confident | 82.5 | Confident | 48 Ų | 48 | 66.1 Ų | 66.1 | 21% | 0.211 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -86 | 129.3 | -178.4 | -71.8 | -95.4 | 0 | 0 | 0 | 112.5 | D886 Y887 E888 A895 I897 V921 | D886-F890 WeakPolarHBondContact O-CD2 3.43Å; D886-F890 VanDerWaalsContact O-CE2 3.24Å; D886-F890 WeakPolarHBondContact O-CE2 3.11Å; Y887-F890 PolarHBondContact O-N 3.38Å; E888-F890 VanDerWaalsContact C-N 3.31Å; E888-F890 PolarHBondContact O-N 2.68Å; F890-A895 HydrophobicContact CB-CB 4Å; F890-A895 HydrophobicContact CD1-CB 4.4Å; F890-A895 HydrophobicContact CD2-CB 3.76Å; F890-A895 HydrophobicContact CE2-CB 4.3Å; F890-A895 HydrophobicContact CG-CB 3.8Å; F890-I897 HydrophobicContact CE1-CD1 4.13Å; F890-I897 HydrophobicContact CE1-CG1 3.54Å; F890-I897 HydrophobicContact CZ-CD1 3.71Å; F890-I897 HydrophobicContact CZ-CG1 3.62Å; F890-V921 HydrophobicContact CE2-CB 4.44Å; F890-V921 HydrophobicContact CE2-CG2 3.89Å; F890-V921 HydrophobicContact CZ-CG2 3.86Å |
| 891 | P | 64.5 | Low | 82.6 | Confident | 100 Ų | 100 | 64.7 Ų | 64.7 | 65% | 0.649 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -68.1 | 143.9 | 172.8 | 26.5 | -30.2 | 0 | 0 | 0 | 111.2 | Q893 | P891-Q893 PolarHBondContact O-N 3.22Š|
| 892 | D | 63.9 | Low | 82.7 | Confident | 151 Ų | 151 | 65.4 Ų | 65.4 | 81% | 0.807 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | 67.3 | 25.4 | 166.9 | -52.3 | -39.9 | 0 | 0 | 0 | 117.7 | E894 | D892-E894 PolarHBondContact O-N 3.05Š|
| 893 | Q | 58 | Low | 82.9 | Confident | 140 Ų | 140 | 61.3 Ų | 61.3 | 65% | 0.654 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | 62.8 | 7.2 | 174.6 | -54.9 | -175 | -46.5 | 0 | 0 | 115.5 | P891 | P891-Q893 PolarHBondContact O-N 3.22Š|
| 894 | E | 68.4 | Low | 83.2 | Confident | 155 Ų | 155 | 56.8 Ų | 56.8 | 72% | 0.724 | 31% | 0.314 | S | S | * | . | trans | -99.7 | 74 | 171.5 | -69.3 | -170.9 | 173.2 | 0 | 0 | 110.1 | D892 S896 | D892-E894 PolarHBondContact O-N 3.05Å; E894-S896 PolarHBondContact O-N 3.27Å | ||
| 895 | A | 82.5 | Confident | 83.6 | Confident | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | trans | -73.3 | 66.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y887 F890 V921 | Y887-A895 HydrophobicContact CD2-CB 3.32Å; Y887-A895 HydrophobicContact CE2-CB 3.31Å; Y887-A895 HydrophobicContact CG-CB 4.14Å; F890-A895 HydrophobicContact CB-CB 4Å; F890-A895 HydrophobicContact CD1-CB 4.4Å; F890-A895 HydrophobicContact CD2-CB 3.76Å; F890-A895 HydrophobicContact CE2-CB 4.3Å; F890-A895 HydrophobicContact CG-CB 3.8Å; A895-V921 HydrophobicContact CB-CB 3.98Å; A895-V921 WeakPolarHBondContact O-CB 3.48Å; A895-V921 PolarHBondContact O-N 3.1Å | ||
| 896 | S | 89.3 | Confident | 83.6 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138 | 178.5 | 75.2 | 0 | 0 | 0 | 0 | 111.5 | E894 V919 | E894-S896 PolarHBondContact O-N 3.27Å; S896-V919 CarbonylContact C-O 3.48Å; S896-V919 VanDerWaalsContact CA-O 3.27Å; S896-V919 WeakPolarHBondContact CA-O 3.44Å |
| 897 | I | 90.7 | Very high | 83.5 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 12% | 0.118 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 114.4 | 173.9 | -55 | 166.8 | 0 | 0 | 0 | 107.6 | V866 L869 F870 L885 F890 F899 T918 V919 | V866-I897 HydrophobicContact CG1-CG2 3.75Å; L869-I897 HydrophobicContact CD1-CD1 3.96Å; F870-I897 HydrophobicContact CE2-CB 4.4Å; F870-I897 HydrophobicContact CE2-CD1 4.25Å; F870-I897 HydrophobicContact CE2-CG2 3.95Å; F870-I897 HydrophobicContact CZ-CB 4.45Å; F870-I897 HydrophobicContact CZ-CD1 3.85Å; F870-I897 HydrophobicContact CZ-CG2 4.48Å; L885-I897 HydrophobicContact CD2-CD1 3.99Å; F890-I897 HydrophobicContact CE1-CD1 4.13Å; F890-I897 HydrophobicContact CE1-CG1 3.54Å; F890-I897 HydrophobicContact CZ-CD1 3.71Å; F890-I897 HydrophobicContact CZ-CG1 3.62Å; I897-F899 HydrophobicContact CG2-CD1 4.23Å; I897-T918 WeakPolarHBondContact O-CA 3.36Å; I897-V919 PolarHBondContact N-O 3.19Å; I897-V919 PolarHBondContact O-N 2.62Å |
| 898 | T | 92.6 | Very high | 83.4 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.1 | 174.6 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | V917 T918 | T898-V917 CarbonylContact C-O 3.57Å; T898-V917 VanDerWaalsContact CA-O 3.31Å; T898-V917 WeakPolarHBondContact CA-O 3.49Å; T898-T918 WeakPolarHBondContact CG2-OG1 3.24Å; T898-T918 WeakPolarHBondContact OG1-CG2 3.5Å; T898-T918 PolarHBondContact OG1-OG1 2.86Å |
| 899 | F | 94.8 | Very high | 83.5 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 168.3 | -179.9 | 65.7 | -88.5 | 0 | 0 | 0 | 112.1 | I861 V866 F870 L879 I897 V901 V917 V919 | I861-F899 HydrophobicContact CG1-CE2 4.44Å; I861-F899 HydrophobicContact CG2-CD2 4.11Å; I861-F899 HydrophobicContact CG2-CE2 4.38Å; V866-F899 HydrophobicContact CB-CB 4.46Å; V866-F899 HydrophobicContact CB-CG 4.4Å; V866-F899 HydrophobicContact CG1-CB 3.88Å; V866-F899 HydrophobicContact CG1-CD1 4.24Å; V866-F899 HydrophobicContact CG1-CG 4.2Å; V866-F899 HydrophobicContact CG2-CB 3.78Å; V866-F899 HydrophobicContact CG2-CD1 4.13Å; V866-F899 HydrophobicContact CG2-CD2 3.72Å; V866-F899 HydrophobicContact CG2-CE2 4.28Å; V866-F899 HydrophobicContact CG2-CG 3.62Å; F870-F899 HydrophobicContact CD2-CD1 4.06Å; F870-F899 AromaticContact CD2-CE1 3.42Å; F870-F899 HydrophobicContact CD2-CE1 3.42Å; F870-F899 VanDerWaalsContact CD2-CE1 3.42Å; F870-F899 HydrophobicContact CD2-CE2 4.46Å; F870-F899 AromaticContact CD2-CZ 3.66Å; F870-F899 HydrophobicContact CD2-CZ 3.66Å; F870-F899 AromaticContact CE2-CD1 3.89Å; F870-F899 HydrophobicContact CE2-CD1 3.89Å; F870-F899 AromaticContact CE2-CE1 3.4Å; F870-F899 HydrophobicContact CE2-CE1 3.4Å; F870-F899 HydrophobicContact CE2-CZ 4.12Å; F870-F899 HydrophobicContact CG-CE1 4.29Å; F870-F899 HydrophobicContact CG-CZ 4.21Å; F870-F899 HydrophobicContact CZ-CE1 4.24Å; L879-F899 HydrophobicContact CD1-CE2 4.5Å; L879-F899 HydrophobicContact CD1-CZ 4.31Å; L879-F899 HydrophobicContact CD2-CZ 3.8Å; I897-F899 HydrophobicContact CG2-CD1 4.23Å; F899-V901 HydrophobicContact CD2-CG1 4.16Å; F899-V901 HydrophobicContact CE2-CG1 3.67Å; F899-V917 HydrophobicContact CD1-CB 4.46Å; F899-V917 HydrophobicContact CE1-CB 4.04Å; F899-V917 HydrophobicContact CE1-CG1 3.93Å; F899-V917 HydrophobicContact CE2-CB 4.09Å; F899-V917 HydrophobicContact CE2-CG2 4.43Å; F899-V917 HydrophobicContact CZ-CB 3.85Å; F899-V917 HydrophobicContact CZ-CG1 3.82Å; F899-V917 HydrophobicContact CZ-CG2 4.49Å; F899-V917 PolarHBondContact N-O 2.83Å; F899-V917 PolarHBondContact O-N 2.8Å; F899-V919 HydrophobicContact CE1-CG2 4.03Å |
| 900 | L | 96 | Very high | 83.8 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 24% | 0.241 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 135.9 | -177.8 | -61.9 | 179.3 | 0 | 0 | 0 | 112.4 | R862 S863 I914 T916 | R862-L900 HydrophobicContact CB-CB 4.12Å; R862-L900 PolarHBondContact N-O 2.91Å; S863-L900 PolarHBondContact OG-N 3.15Å; L900-I914 HydrophobicContact CB-CG2 4.28Å; L900-I914 HydrophobicContact CD1-CG2 4.26Å; L900-I914 HydrophobicContact CD2-CG2 3.93Å; L900-I914 HydrophobicContact CG-CG2 4.4Å; L900-T916 HydrophobicContact CD2-CG2 3.37Å |
| 901 | V | 95.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 149.5 | 167.5 | -63.4 | 0 | 0 | 0 | 0 | 109.2 | F824 I846 I861 L872 F899 I914 A915 V917 | F824-V901 HydrophobicContact CE1-CG2 4.31Å; F824-V901 HydrophobicContact CE2-CG2 4.46Å; F824-V901 HydrophobicContact CZ-CG2 3.93Å; I846-V901 HydrophobicContact CD1-CB 3.95Å; I846-V901 HydrophobicContact CD1-CG1 4.26Å; I846-V901 HydrophobicContact CD1-CG2 3.68Å; I861-V901 HydrophobicContact CG1-CG1 4.49Å; L872-V901 HydrophobicContact CD2-CB 4.17Å; L872-V901 HydrophobicContact CD2-CG1 3.9Å; F899-V901 HydrophobicContact CD2-CG1 4.16Å; F899-V901 HydrophobicContact CE2-CG1 3.67Å; V901-I914 WeakPolarHBondContact O-CA 3.43Å; V901-A915 HydrophobicContact CG2-CB 3.96Å; V901-A915 PolarHBondContact N-O 3.35Å; V901-A915 PolarHBondContact O-N 2.89Å; V901-V917 HydrophobicContact CG1-CG2 3.93Å; V901-V917 HydrophobicContact CG2-CG2 3.85Å |
| 902 | E | 94.2 | Very high | 85.5 | Confident | 16 Ų | 16 | 63.6 Ų | 63.6 | 8% | 0.075 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144 | 178.8 | 70.4 | -170.2 | 168.6 | 0 | 0 | 112 | Y859 R860 R862 P912 G913 I914 | Y859-E902 WeakPolarHBondContact CA-O 3.19Å; R860-E902 HydrophobicContact CG-CG 3.66Å; R860-E902 IonicContact CZ-OE1 3.26Å; R860-E902 PolarHBondContact N-O 3.38Å; R860-E902 IonicContact NE-OE1 3.81Å; R860-E902 PolarHBondContact NE-OE1 3.34Å; R860-E902 IonicContact NH2-OE1 3.86Å; R860-E902 PolarHBondContact NH2-OE1 3.19Å; R860-E902 PolarHBondContact O-N 3.41Å; R862-E902 HydrophobicContact CB-CG 4.42Å; E902-P912 HydrophobicContact CB-CB 4.19Å; E902-G913 CarbonylContact C-O 3.54Å; E902-G913 WeakPolarHBondContact CA-O 3.35Å; E902-G913 WeakPolarHBondContact CB-O 3.34Å; E902-I914 HydrophobicContact CB-CG1 4.48Å |
| 903 | A | 94.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | P822 F824 A848 V857 S858 Y859 P912 G913 | P822-A903 HydrophobicContact CB-CB 4.07Å; F824-A903 HydrophobicContact CD2-CB 4.47Å; F824-A903 HydrophobicContact CE1-CB 3.98Å; F824-A903 HydrophobicContact CE2-CB 3.74Å; F824-A903 HydrophobicContact CZ-CB 3.45Å; F824-A903 VanDerWaalsContact CZ-CB 3.45Å; A848-A903 HydrophobicContact CB-CB 3.5Å; A848-A903 VanDerWaalsContact CB-CB 3.5Å; V857-A903 HydrophobicContact CG1-CB 3.81Å; S858-A903 WeakPolarHBondContact O-CA 3.42Å; Y859-A903 HydrophobicContact CD1-CB 3.96Å; Y859-A903 HydrophobicContact CE1-CB 3.98Å; A903-P912 CarbonylContact O-C 3.48Å; A903-P912 WeakPolarHBondContact O-CA 3.38Å; A903-P912 WeakPolarHBondContact O-CB 3.41Å; A903-G913 PolarHBondContact N-O 3.44Å; A903-G913 PolarHBondContact O-N 3.16Å |
| 904 | F | 92.3 | Very high | 88.6 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 22% | 0.224 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.3 | 179.1 | 58.6 | -80.8 | 0 | 0 | 0 | 109.8 | S858 R860 P912 | S858-F904 PolarHBondContact N-O 3.38Å; S858-F904 VanDerWaalsContact O-CD1 3.32Å; S858-F904 WeakPolarHBondContact O-CD1 3.37Å; S858-F904 PolarHBondContact O-N 3.22Å; R860-F904 HydrophobicContact CG-CE1 3.91Å; F904-P912 HydrophobicContact CB-CB 4.06Å |
| 905 | D | 90.9 | Very high | 89.8 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 11% | 0.112 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 135.8 | 165.8 | -176.7 | 21 | 0 | 0 | 0 | 109.3 | P822 N856 Y907 G908 | P822-D905 HydrophobicContact CG-CB 4.42Å; N856-D905 WeakPolarHBondContact CA-OD1 3.44Å; N856-D905 PolarHBondContact N-OD1 3.12Å; D905-Y907 VanDerWaalsContact C-N 3.3Å; D905-Y907 PolarHBondContact OD1-N 3.37Å; D905-G908 WeakPolarHBondContact OD2-CA 3.09Å; D905-G908 PolarHBondContact OD2-N 3.4Å |
| 906 | I | 86.2 | Confident | 90.4 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 35% | 0.354 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -69.1 | -32 | -178.8 | -65.4 | 164.7 | 0 | 0 | 0 | 111.4 | N856 F875 | N856-I906 HydrophobicContact CB-CD1 4.37Å; N856-I906 WeakPolarHBondContact O-CD1 3.29Å; N856-I906 WeakPolarHBondContact O-CG1 3.18Å; N856-I906 PolarHBondContact O-N 2.83Å; F875-I906 HydrophobicContact CE1-CD1 3.9Å |
| 907 | Y | 81.6 | Confident | 90.7 | Very high | 183 Ų | 183 | 46.1 Ų | 46.1 | 72% | 0.718 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -105 | -19.7 | -176.9 | -58.9 | -65.1 | 0 | 0 | 0 | 113.4 | N856 D905 | N856-Y907 HydrophobicContact CB-CD2 4.45Å; N856-Y907 HydrophobicContact CB-CE2 4.46Å; D905-Y907 VanDerWaalsContact C-N 3.3Å; D905-Y907 PolarHBondContact OD1-N 3.37Å |
| 908 | G | 79.6 | Confident | 90.9 | Very high | 24 Ų | 24 | 46.5 Ų | 46.5 | 25% | 0.247 | 26% | 0.256 | C | S | . | . | trans | -69.7 | 166.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D818 D905 | D818-G908 WeakPolarHBondContact OD1-CA 3.38Å; D818-G908 VanDerWaalsContact OD2-CA 3.26Å; D818-G908 WeakPolarHBondContact OD2-CA 3.35Å; D905-G908 WeakPolarHBondContact OD2-CA 3.09Å; D905-G908 PolarHBondContact OD2-N 3.4Å | ||
| 909 | T | 80.9 | Confident | 90.9 | Very high | 124 Ų | 124 | 42.8 Ų | 42.8 | 76% | 0.761 | 23% | 0.233 | S | C | * | . | trans | -117.4 | -13.5 | -177.3 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | D818 | D818-T909 WeakPolarHBondContact OD2-CA 3.47Å; D818-T909 PolarHBondContact OD2-N 2.87Å; D818-T909 PolarHBondContact OD2-OG1 2.67Å | ||
| 910 | M | 86 | Confident | 90.6 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -65.3 | 150.7 | 177.2 | -71.5 | -60.5 | -71.1 | 0 | 0 | 112.4 | D818 D819 | D818-M910 VanDerWaalsContact O-CG 3.31Å; D818-M910 WeakPolarHBondContact O-CG 3.46Å; D818-M910 PolarHBondContact OD2-N 2.98Å; D819-M910 VanDerWaalsContact O-CE 3.25Å; D819-M910 WeakPolarHBondContact O-CE 3.44Å |
| 911 | P | 88.5 | Confident | 90.2 | Very high | 79 Ų | 79 | 43.9 Ų | 43.9 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -57.2 | 150.5 | 177.2 | -23.7 | 34.2 | 0 | 0 | 0 | 112.1 | S821 | S821-P911 VanDerWaalsContact CB-O 3.24Å; S821-P911 WeakPolarHBondContact CB-O 3.4Å; S821-P911 PolarHBondContact OG-O 2.66Å |
| 912 | P | 90.8 | Very high | 89.7 | Confident | 49 Ų | 49 | 48.3 Ų | 48.3 | 32% | 0.318 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 141.8 | 176.4 | 29.3 | -35.2 | 0 | 0 | 0 | 111.4 | E902 A903 F904 | E902-P912 HydrophobicContact CB-CB 4.19Å; A903-P912 CarbonylContact O-C 3.48Å; A903-P912 WeakPolarHBondContact O-CA 3.38Å; A903-P912 WeakPolarHBondContact O-CB 3.41Å; F904-P912 HydrophobicContact CB-CB 4.06Å |
| 913 | G | 91.7 | Very high | 89 | Confident | 12 Ų | 12 | 49 Ų | 49 | 12% | 0.124 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 144.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P822 F824 E902 A903 | P822-G913 VanDerWaalsContact O-CA 3.22Å; P822-G913 WeakPolarHBondContact O-CA 3.14Å; F824-G913 WeakPolarHBondContact CE2-O 3.46Å; E902-G913 CarbonylContact C-O 3.54Å; E902-G913 WeakPolarHBondContact CA-O 3.35Å; E902-G913 WeakPolarHBondContact CB-O 3.34Å; A903-G913 PolarHBondContact N-O 3.44Å; A903-G913 PolarHBondContact O-N 3.16Å |
| 914 | I | 94.7 | Very high | 88.4 | Confident | 80 Ų | 80 | 50.3 Ų | 50.3 | 41% | 0.41 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.6 | -178.1 | -58.4 | 173.1 | 0 | 0 | 0 | 109 | L900 V901 E902 | L900-I914 HydrophobicContact CB-CG2 4.28Å; L900-I914 HydrophobicContact CD1-CG2 4.26Å; L900-I914 HydrophobicContact CD2-CG2 3.93Å; L900-I914 HydrophobicContact CG-CG2 4.4Å; V901-I914 WeakPolarHBondContact O-CA 3.43Å; E902-I914 HydrophobicContact CB-CG1 4.48Å |
| 915 | A | 94 | Very high | 87.9 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F824 S827 Y829 V901 | F824-A915 HydrophobicContact CB-CB 4.06Å; F824-A915 HydrophobicContact CD1-CB 4.2Å; F824-A915 HydrophobicContact CD2-CB 3.44Å; F824-A915 VanDerWaalsContact CD2-CB 3.44Å; F824-A915 HydrophobicContact CE2-CB 3.82Å; F824-A915 HydrophobicContact CG-CB 3.64Å; F824-A915 HydrophobicContact CZ-CB 4.36Å; S827-A915 WeakPolarHBondContact O-CA 3.45Å; Y829-A915 HydrophobicContact CD2-CB 4.21Å; Y829-A915 HydrophobicContact CE2-CB 3.99Å; V901-A915 HydrophobicContact CG2-CB 3.96Å; V901-A915 PolarHBondContact N-O 3.35Å; V901-A915 PolarHBondContact O-N 2.89Å |
| 916 | T | 95.1 | Very high | 87.5 | Confident | 43 Ų | 43 | 51.3 Ų | 51.3 | 26% | 0.264 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 133.2 | 174.2 | 48.1 | 0 | 0 | 0 | 0 | 109.4 | S827 T828 Y829 L900 | S827-T916 PolarHBondContact O-N 2.79Å; S827-T916 PolarHBondContact O-OG1 3.36Å; T828-T916 CarbonylContact C-O 3.55Å; T828-T916 WeakPolarHBondContact CA-O 3.49Å; T828-T916 WeakPolarHBondContact CA-OG1 3.32Å; T828-T916 WeakPolarHBondContact CG2-OG1 3.44Å; Y829-T916 PolarHBondContact N-O 2.94Å; L900-T916 HydrophobicContact CD2-CG2 3.37Å |
| 917 | V | 95.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.8 | 172.9 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | Y829 L844 L879 T898 F899 V901 V919 | Y829-V917 CarbonylContact O-C 3.58Å; Y829-V917 WeakPolarHBondContact O-CA 3.3Å; L844-V917 HydrophobicContact CD2-CG1 3.7Å; L844-V917 HydrophobicContact CD2-CG2 4.33Å; L879-V917 HydrophobicContact CD2-CG1 4.1Å; T898-V917 CarbonylContact C-O 3.57Å; T898-V917 VanDerWaalsContact CA-O 3.31Å; T898-V917 WeakPolarHBondContact CA-O 3.49Å; F899-V917 HydrophobicContact CD1-CB 4.46Å; F899-V917 HydrophobicContact CE1-CB 4.04Å; F899-V917 HydrophobicContact CE1-CG1 3.93Å; F899-V917 HydrophobicContact CE2-CB 4.09Å; F899-V917 HydrophobicContact CE2-CG2 4.43Å; F899-V917 HydrophobicContact CZ-CB 3.85Å; F899-V917 HydrophobicContact CZ-CG1 3.82Å; F899-V917 HydrophobicContact CZ-CG2 4.49Å; F899-V917 PolarHBondContact N-O 2.83Å; F899-V917 PolarHBondContact O-N 2.8Å; V901-V917 HydrophobicContact CG1-CG2 3.93Å; V901-V917 HydrophobicContact CG2-CG2 3.85Å; V917-V919 HydrophobicContact CG1-CG2 4.18Å |
| 918 | T | 94 | Very high | 87.6 | Confident | 31 Ų | 31 | 46 Ų | 46 | 19% | 0.19 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 113 | 174.4 | -60.4 | 0 | 0 | 0 | 0 | 108.7 | Y829 T830 V831 I897 T898 I920 | Y829-T918 PolarHBondContact O-N 3.41Å; T830-T918 WeakPolarHBondContact CA-O 3.47Å; V831-T918 PolarHBondContact N-O 2.79Å; I897-T918 WeakPolarHBondContact O-CA 3.36Å; T898-T918 WeakPolarHBondContact CG2-OG1 3.24Å; T898-T918 WeakPolarHBondContact OG1-CG2 3.5Å; T898-T918 PolarHBondContact OG1-OG1 2.86Å; T918-I920 HydrophobicContact CG2-CG1 4.21Å |
| 919 | V | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 112.4 | 174.5 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | V831 V833 F843 F870 L885 S896 I897 F899 V917 | V831-V919 HydrophobicContact CG1-CG2 4.04Å; V833-V919 HydrophobicContact CB-CG1 3.98Å; V833-V919 HydrophobicContact CG2-CG1 3.76Å; F843-V919 HydrophobicContact CE2-CG2 3.81Å; F843-V919 HydrophobicContact CZ-CG2 4.12Å; F870-V919 HydrophobicContact CE1-CG2 4.33Å; F870-V919 HydrophobicContact CZ-CB 4.31Å; F870-V919 HydrophobicContact CZ-CG1 4.46Å; F870-V919 HydrophobicContact CZ-CG2 3.99Å; L885-V919 HydrophobicContact CD1-CG1 4.2Å; S896-V919 CarbonylContact C-O 3.48Å; S896-V919 VanDerWaalsContact CA-O 3.27Å; S896-V919 WeakPolarHBondContact CA-O 3.44Å; I897-V919 PolarHBondContact N-O 3.19Å; I897-V919 PolarHBondContact O-N 2.62Å; F899-V919 HydrophobicContact CE1-CG2 4.03Å; V917-V919 HydrophobicContact CG1-CG2 4.18Å |
| 920 | I | 89.5 | Confident | 88.6 | Confident | 68 Ų | 68 | 43.5 Ų | 43.5 | 35% | 0.349 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 116.4 | 173.9 | -58.2 | 174.7 | 0 | 0 | 0 | 107.1 | T830 V831 V832 V833 T918 | T830-I920 HydrophobicContact CG2-CD1 3.66Å; T830-I920 HydrophobicContact CG2-CG1 4.19Å; V831-I920 PolarHBondContact O-N 3.32Å; V832-I920 CarbonylContact C-O 3.21Å; V832-I920 WeakPolarHBondContact CA-O 3.43Å; V832-I920 HydrophobicContact CG2-CB 4.36Å; V833-I920 PolarHBondContact N-O 3.15Å; T918-I920 HydrophobicContact CG2-CG1 4.21Å |
| 921 | V | 88.2 | Confident | 88.9 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.3 | 176.2 | -170 | 0 | 0 | 0 | 0 | 108.1 | V833 E835 L885 Y887 F890 A895 | V833-V921 CarbonylContact O-C 3.53Å; V833-V921 WeakPolarHBondContact O-CA 3.39Å; E835-V921 HydrophobicContact CB-CG1 3.79Å; L885-V921 HydrophobicContact CB-CG1 4.19Å; L885-V921 HydrophobicContact CB-CG2 4.29Å; L885-V921 HydrophobicContact CD1-CG2 3.82Å; Y887-V921 HydrophobicContact CD2-CB 4.32Å; Y887-V921 HydrophobicContact CD2-CG1 4.22Å; Y887-V921 WeakPolarHBondContact CD2-O 3.2Å; Y887-V921 WeakPolarHBondContact CE2-O 3.32Å; F890-V921 HydrophobicContact CE2-CB 4.44Å; F890-V921 HydrophobicContact CE2-CG2 3.89Å; F890-V921 HydrophobicContact CZ-CG2 3.86Å; A895-V921 HydrophobicContact CB-CB 3.98Å; A895-V921 WeakPolarHBondContact O-CB 3.48Å; A895-V921 PolarHBondContact O-N 3.1Å |
| 922 | K | 83 | Confident | 88.9 | Confident | 92 Ų | 92 | 41 Ų | 41 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121 | 176.2 | 177.4 | -179.8 | 161.8 | -149.4 | 0 | 108.9 | V832 V833 E834 E835 | V832-K922 HydrophobicContact CG1-CB 3.79Å; V832-K922 HydrophobicContact CG1-CD 4.3Å; V833-K922 PolarHBondContact O-N 3.48Å; E834-K922 HydrophobicContact CG-CB 4.49Å; E834-K922 HydrophobicContact CG-CD 4.15Å; E834-K922 IonicContact OE1-NZ 2.98Å; E834-K922 PolarHBondContact OE1-NZ 2.77Å; E835-K922 PolarHBondContact N-O 2.87Å |
| 923 | D | 80.7 | Confident | 88.8 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -51.8 | 132.6 | 171.8 | -179.1 | 1.2 | 0 | 0 | 0 | 111.3 | E835 Y887 M963 | E835-D923 WeakPolarHBondContact OE1-CA 3.42Å; Y887-D923 HydrophobicContact CD1-CB 3.8Å; Y887-D923 HydrophobicContact CD2-CB 3.84Å; Y887-D923 HydrophobicContact CE1-CB 3.8Å; Y887-D923 HydrophobicContact CE2-CB 3.82Å; Y887-D923 HydrophobicContact CG-CB 3.83Å; D923-M963 WeakPolarHBondContact OD2-CE 3.07Å |
| 924 | M | 81.4 | Confident | 88.6 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 14% | 0.143 | 27% | 0.273 | C | S | . | . | trans | -128.8 | 126 | 175 | -67.4 | -60.7 | -32.6 | 0 | 0 | 110 | E834 E835 D926 | E834-M924 HydrophobicContact CB-CG 4.12Å; E834-M924 HydrophobicContact CB-SD 4.24Å; E834-M924 HydrophobicContact CG-SD 4.16Å; E835-M924 HydrophobicContact CG-CB 3.94Å; E835-M924 HydrophobicContact CG-CG 4.13Å; E835-M924 PolarHBondContact OE1-N 3.44Å; M924-D926 PolarHBondContact O-N 3.33Å | ||
| 925 | N | 82.3 | Confident | 88.3 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | trans | -52.7 | 98.9 | 175.3 | -168 | 61.4 | 0 | 0 | 0 | 112.4 | D959 A965 D1015 P1019 | N925-D959 PolarHBondContact OD1-OD2 2.94Å; N925-A965 HydrophobicContact CB-CB 4.17Å; N925-A965 VanDerWaalsContact OD1-CA 3.27Å; N925-A965 WeakPolarHBondContact OD1-CA 3.47Å; N925-A965 WeakPolarHBondContact OD1-CB 3.23Å; N925-D1015 PolarHBondContact ND2-OD1 3.02Å; N925-P1019 PolarHBondContact ND2-O 3.36Å | ||
| 926 | D | 82.2 | Confident | 88.1 | Confident | 77 Ų | 77 | 56.4 Ų | 56.4 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | trans | -124.8 | -9.6 | -176.6 | 84 | -27 | 0 | 0 | 0 | 113.9 | M924 | M924-D926 PolarHBondContact O-N 3.33Š| ||
| 927 | Y | 82.2 | Confident | 87.7 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -98 | 125.7 | 170 | -70.3 | -76.3 | 0 | 0 | 0 | 111.8 | E888 D957 A958 D959 | E888-Y927 HydrophobicContact CG-CE2 4.12Å; Y927-D957 WeakPolarHBondContact CB-OD1 3.48Å; Y927-A958 HydrophobicContact CD1-CB 3.75Å; Y927-A958 HydrophobicContact CD2-CB 4.23Å; Y927-A958 HydrophobicContact CE1-CB 4.37Å; Y927-A958 HydrophobicContact CG-CB 3.7Å; Y927-D959 WeakPolarHBondContact CD2-OD1 3.26Å |
| 928 | P | 86.5 | Confident | 87.2 | Confident | 48 Ų | 48 | 61 Ų | 61 | 31% | 0.312 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -86 | 150.9 | 170.7 | 29.3 | -29.5 | 0 | 0 | 0 | 111.6 | V930 M1021 | P928-V930 WeakPolarHBondContact O-CG2 3.47Å; P928-V930 PolarHBondContact O-N 2.81Å; P928-M1021 HydrophobicContact CB-CB 3.91Å; P928-M1021 HydrophobicContact CB-CE 4Å; P928-M1021 HydrophobicContact CG-CE 4.03Å |
| 929 | P | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -60 | 133.3 | 175.4 | -23.8 | 29.7 | 0 | 0 | 0 | 111.7 | A955 E956 D957 V968 A1013 D1015 S1023 | P929-A955 HydrophobicContact CB-CB 4.45Å; P929-E956 CarbonylContact C-O 3.57Å; P929-D957 WeakPolarHBondContact CA-OD2 3.33Å; P929-D957 WeakPolarHBondContact CD-OD2 3.38Å; P929-D957 WeakPolarHBondContact CG-OD2 3.41Å; P929-V968 HydrophobicContact CB-CG1 4.07Å; P929-V968 HydrophobicContact CB-CG2 4.01Å; P929-V968 HydrophobicContact CG-CG2 4.3Å; P929-A1013 HydrophobicContact CB-CB 3.95Å; P929-D1015 VanDerWaalsContact CD-OD2 3.24Å; P929-D1015 WeakPolarHBondContact CD-OD2 3.33Å; P929-D1015 HydrophobicContact CG-CB 4.1Å; P929-S1023 WeakPolarHBondContact O-CB 3.15Å; P929-S1023 PolarHBondContact O-OG 2.73Å |
| 930 | V | 90.4 | Very high | 86.4 | Confident | 96 Ų | 96 | 61.6 Ų | 61.6 | 58% | 0.582 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.5 | -176.2 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | P928 A955 E956 | P928-V930 WeakPolarHBondContact O-CG2 3.47Å; P928-V930 PolarHBondContact O-N 2.81Å; V930-A955 CarbonylContact O-C 3.51Å; V930-A955 WeakPolarHBondContact O-CA 3.38Å; V930-A955 WeakPolarHBondContact O-CB 3.49Å; V930-E956 PolarHBondContact N-O 3.33Å; V930-E956 PolarHBondContact O-N 2.88Å |
| 931 | F | 92.6 | Very high | 86 | Confident | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.096 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 133.9 | 174.1 | -75.6 | -83.2 | 0 | 0 | 0 | 113.1 | K933 Y936 V953 A955 Y970 V1011 A1013 S1023 A1025 | F931-K933 PolarHBondContact O-N 2.82Å; F931-K933 VanDerWaalsContact O-N 3.16Å; F931-Y936 HydrophobicContact CD1-CE2 4.02Å; F931-V953 HydrophobicContact CD1-CB 4.37Å; F931-V953 HydrophobicContact CE1-CB 3.97Å; F931-V953 HydrophobicContact CE1-CG2 3.99Å; F931-A955 HydrophobicContact CB-CB 4.5Å; F931-A955 HydrophobicContact CD1-CB 3.92Å; F931-A955 HydrophobicContact CD2-CB 4.42Å; F931-A955 HydrophobicContact CE1-CB 4.23Å; F931-A955 HydrophobicContact CG-CB 4.03Å; F931-Y970 HydrophobicContact CE1-CD1 4.06Å; F931-Y970 AromaticContact CE1-CE1 3.84Å; F931-Y970 HydrophobicContact CE1-CE1 3.84Å; F931-Y970 HydrophobicContact CZ-CD1 4.22Å; F931-Y970 HydrophobicContact CZ-CE1 4.3Å; F931-V1011 HydrophobicContact CZ-CG1 4.22Å; F931-A1013 HydrophobicContact CD2-CB 4.29Å; F931-A1013 HydrophobicContact CE1-CB 4.15Å; F931-A1013 HydrophobicContact CE2-CB 3.5Å; F931-A1013 VanDerWaalsContact CE2-CB 3.5Å; F931-A1013 HydrophobicContact CZ-CB 3.42Å; F931-A1013 VanDerWaalsContact CZ-CB 3.42Å; F931-S1023 VanDerWaalsContact CD2-OG 3.31Å; F931-S1023 WeakPolarHBondContact CD2-OG 3.2Å; F931-A1025 HydrophobicContact CB-CB 4.06Å; F931-A1025 HydrophobicContact CD1-CB 3.75Å; F931-A1025 HydrophobicContact CD2-CB 3.6Å; F931-A1025 HydrophobicContact CE1-CB 4.03Å; F931-A1025 HydrophobicContact CE2-CB 3.88Å; F931-A1025 HydrophobicContact CG-CB 3.52Å; F931-A1025 HydrophobicContact CZ-CB 4.08Å |
| 932 | S | 89.3 | Confident | 85.7 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 51% | 0.51 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -60.2 | -23.9 | 173.4 | 52.4 | 0 | 0 | 0 | 0 | 114 | Y936 Y954 | S932-Y936 PolarHBondContact OG-OH 3.42Å; S932-Y954 PolarHBondContact N-O 3.1Å; S932-Y954 PolarHBondContact OG-O 3.13Å |
| 933 | K | 87.5 | Confident | 85.6 | Confident | 127 Ų | 127 | 59.8 Ų | 59.8 | 55% | 0.552 | 29% | 0.294 | S | S | * | . | trans | -138.5 | 140.6 | 174.1 | -57.7 | 175.4 | -174.9 | 168.9 | 0 | 110.6 | F931 Y936 | F931-K933 PolarHBondContact O-N 2.82Å; F931-K933 VanDerWaalsContact O-N 3.16Å; K933-Y936 HydrophobicContact CB-CD2 4.33Å; K933-Y936 HydrophobicContact CB-CE1 4.06Å; K933-Y936 HydrophobicContact CB-CE2 3.87Å; K933-Y936 HydrophobicContact CD-CD1 4.2Å; K933-Y936 HydrophobicContact CD-CE1 3.94Å; K933-Y936 HydrophobicContact CG-CE1 4.22Å; K933-Y936 PolarHBondContact N-OH 3.26Å; K933-Y936 WeakPolarHBondContact O-CE2 3.35Å | ||
| 934 | R | 87.5 | Confident | 85.8 | Confident | 231 Ų | 231 | 58.7 Ų | 58.7 | 87% | 0.872 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -68.4 | -32.6 | 171 | -77.1 | -172.3 | 175.3 | -158 | -1.3 | 113.6 | T1026 | R934-T1026 PolarHBondContact O-N 2.82Š|
| 935 | I | 89.4 | Confident | 85.9 | Confident | 95 Ų | 95 | 61.8 Ų | 61.8 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 121.1 | -177.6 | -56.3 | 175.5 | 0 | 0 | 0 | 109.7 | T1026 R1028 | I935-T1026 CarbonylContact C-O 3.45Å; I935-T1026 VanDerWaalsContact CA-O 3.28Å; I935-T1026 WeakPolarHBondContact CA-O 3.29Å; I935-R1028 HydrophobicContact CG2-CG 4.13Å |
| 936 | Y | 89.9 | Confident | 86 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 4% | 0.043 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 151.6 | 170.2 | -64.8 | -98.2 | 0 | 0 | 0 | 109.8 | F931 S932 K933 V953 Y954 A1025 T1026 V1027 R1028 | F931-Y936 HydrophobicContact CD1-CE2 4.02Å; S932-Y936 PolarHBondContact OG-OH 3.42Å; K933-Y936 HydrophobicContact CB-CD2 4.33Å; K933-Y936 HydrophobicContact CB-CE1 4.06Å; K933-Y936 HydrophobicContact CB-CE2 3.87Å; K933-Y936 HydrophobicContact CD-CD1 4.2Å; K933-Y936 HydrophobicContact CD-CE1 3.94Å; K933-Y936 HydrophobicContact CG-CE1 4.22Å; K933-Y936 PolarHBondContact N-OH 3.26Å; K933-Y936 WeakPolarHBondContact O-CE2 3.35Å; Y936-V953 HydrophobicContact CD1-CG1 4.14Å; Y936-V953 HydrophobicContact CD2-CB 4.36Å; Y936-V953 HydrophobicContact CD2-CG1 3.71Å; Y936-V953 HydrophobicContact CE1-CB 4.37Å; Y936-V953 HydrophobicContact CE1-CG1 4.4Å; Y936-V953 HydrophobicContact CE2-CB 4.11Å; Y936-V953 HydrophobicContact CE2-CG1 3.98Å; Y936-V953 HydrophobicContact CG-CG1 3.81Å; Y936-Y954 PolarHBondContact OH-N 2.81Å; Y936-Y954 PolarHBondContact OH-O 2.88Å; Y936-A1025 HydrophobicContact CD2-CB 4.27Å; Y936-A1025 HydrophobicContact CE2-CB 4.06Å; Y936-T1026 PolarHBondContact N-O 3.28Å; Y936-V1027 CarbonylContact O-C 3.54Å; Y936-V1027 WeakPolarHBondContact O-CA 3.37Å; Y936-R1028 PolarHBondContact O-N 3.49Å |
| 937 | K | 86.1 | Confident | 86 | Confident | 138 Ų | 138 | 66.3 Ų | 66.3 | 60% | 0.6 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 143.5 | 176.7 | -64.7 | -179.9 | -176.3 | 175.4 | 0 | 108.4 | T951 R1028 L1124 | K937-T951 PolarHBondContact O-OG1 3.2Å; K937-R1028 CarbonylContact C-O 3.59Å; K937-R1028 WeakPolarHBondContact CA-O 3.26Å; K937-L1124 HydrophobicContact CB-CD2 4.25Å; K937-L1124 WeakPolarHBondContact O-CD2 3.45Å |
| 938 | G | 85.5 | Confident | 86.1 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R1028 I1029 L1030 | G938-R1028 PolarHBondContact N-O 3.38Å; G938-I1029 CarbonylContact O-C 3.55Å; G938-I1029 WeakPolarHBondContact O-CA 3.24Å; G938-L1030 PolarHBondContact O-N 2.67Å |
| 939 | M | 83.7 | Confident | 86.1 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 21% | 0.207 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.5 | 174.9 | -69.2 | 174.6 | 176.1 | 0 | 0 | 108.9 | L1030 L1032 V1119 L1124 V1126 | M939-L1030 WeakPolarHBondContact CA-O 3.47Å; M939-L1030 HydrophobicContact CE-CD2 4.4Å; M939-L1030 HydrophobicContact CG-CB 4.42Å; M939-L1032 HydrophobicContact CB-CD1 4.25Å; M939-L1032 HydrophobicContact CB-CD2 4.35Å; M939-L1032 HydrophobicContact CB-CG 4.22Å; M939-L1032 HydrophobicContact CG-CD2 4.24Å; M939-L1032 HydrophobicContact SD-CD2 4.07Å; M939-V1119 HydrophobicContact SD-CG2 4.25Å; M939-L1124 HydrophobicContact CE-CB 4.44Å; M939-L1124 HydrophobicContact CE-CD1 3.75Å; M939-L1124 HydrophobicContact CG-CB 4.2Å; M939-L1124 HydrophobicContact CG-CD1 4.48Å; M939-L1124 HydrophobicContact SD-CB 3.76Å; M939-L1124 HydrophobicContact SD-CD1 4.16Å; M939-V1126 HydrophobicContact CB-CG2 3.81Å; M939-V1126 WeakPolarHBondContact O-CG2 3.2Å |
| 940 | V | 85.2 | Confident | 85.8 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 147.2 | -179 | 71.7 | 0 | 0 | 0 | 0 | 110.6 | A944 I950 F984 T995 L999 I1029 L1030 V1031 L1032 | V940-A944 HydrophobicContact CG2-CB 3.5Å; V940-A944 VanDerWaalsContact CG2-CB 3.5Å; V940-I950 HydrophobicContact CB-CD1 4.35Å; V940-I950 HydrophobicContact CB-CG1 4.27Å; V940-I950 HydrophobicContact CG2-CD1 4.3Å; V940-I950 HydrophobicContact CG2-CG1 4.19Å; V940-F984 HydrophobicContact CG1-CE1 4.37Å; V940-F984 HydrophobicContact CG1-CZ 4.39Å; V940-T995 HydrophobicContact CG2-CG2 3.94Å; V940-L999 HydrophobicContact CB-CD1 4.45Å; V940-L999 HydrophobicContact CG1-CD1 3.84Å; V940-L999 HydrophobicContact CG2-CD1 3.71Å; V940-I1029 HydrophobicContact CB-CG2 4.25Å; V940-I1029 HydrophobicContact CG1-CG2 3.68Å; V940-L1030 PolarHBondContact N-O 3.44Å; V940-V1031 HydrophobicContact CG1-CG2 4.19Å; V940-V1031 WeakPolarHBondContact O-CA 3.23Å; V940-L1032 PolarHBondContact O-N 3.15Å |
| 941 | A | 79.8 | Confident | 85.7 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 11% | 0.107 | 32% | 0.324 | C | S | . | . | trans | -70.2 | 147.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D943 A944 I1037 V1126 | A941-D943 PolarHBondContact O-N 3.27Å; A941-A944 HydrophobicContact CB-CB 4.25Å; A941-A944 WeakPolarHBondContact O-CB 3.4Å; A941-A944 PolarHBondContact O-N 3.15Å; A941-I1037 HydrophobicContact CB-CD1 3.61Å; A941-V1126 HydrophobicContact CB-CG1 4.06Å | ||
| 942 | P | 83.7 | Confident | 85.6 | Confident | 12 Ų | 12 | 65.2 Ų | 65.2 | 8% | 0.078 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -24.8 | -179.4 | 23.5 | -29.7 | 0 | 0 | 0 | 113.4 | L999 N1000 E1001 V1031 L1032 P1034 | P942-L999 CarbonylContact O-C 3.56Å; P942-L999 WeakPolarHBondContact O-CB 3.3Å; P942-N1000 WeakPolarHBondContact O-CA 3.05Å; P942-N1000 PolarHBondContact O-N 3.46Å; P942-E1001 VanDerWaalsContact CB-O 3.23Å; P942-E1001 WeakPolarHBondContact CB-O 3.27Å; P942-E1001 PolarHBondContact O-N 2.79Å; P942-E1001 VanDerWaalsContact O-N 3.09Å; P942-V1031 HydrophobicContact CB-CG1 3.65Å; P942-V1031 HydrophobicContact CG-CG1 4.5Å; P942-L1032 WeakPolarHBondContact CD-O 3.42Å; P942-P1034 HydrophobicContact CG-CG 3.86Å |
| 943 | D | 81.1 | Confident | 85.8 | Confident | 100 Ų | 100 | 61.8 Ų | 61.8 | 54% | 0.535 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 22.6 | 178.4 | 61.4 | -21.1 | 0 | 0 | 0 | 112.8 | A941 V945 L999 | A941-D943 PolarHBondContact O-N 3.27Å; D943-V945 PolarHBondContact O-N 2.79Å; D943-L999 WeakPolarHBondContact CA-O 3.49Å |
| 944 | A | 82.9 | Confident | 86 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 127.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V940 A941 T948 T995 N998 L999 | V940-A944 HydrophobicContact CG2-CB 3.5Å; V940-A944 VanDerWaalsContact CG2-CB 3.5Å; A941-A944 HydrophobicContact CB-CB 4.25Å; A941-A944 WeakPolarHBondContact O-CB 3.4Å; A941-A944 PolarHBondContact O-N 3.15Å; A944-T948 HydrophobicContact CB-CG2 4.21Å; A944-T995 HydrophobicContact CB-CG2 4.25Å; A944-N998 WeakPolarHBondContact O-CA 3.37Å; A944-L999 HydrophobicContact CB-CD1 4.01Å; A944-L999 HydrophobicContact CB-CG 4.28Å; A944-L999 PolarHBondContact O-N 2.97Å |
| 945 | V | 84.5 | Confident | 86.2 | Confident | 93 Ų | 93 | 50.6 Ų | 50.6 | 56% | 0.564 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 157.5 | 176.1 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | D943 G947 T948 T995 N998 | D943-V945 PolarHBondContact O-N 2.79Å; V945-G947 PolarHBondContact O-N 2.8Å; V945-T948 WeakPolarHBondContact O-CB 3.35Å; V945-T948 PolarHBondContact O-N 2.78Å; V945-T948 PolarHBondContact O-OG1 2.92Å; V945-T995 PolarHBondContact O-OG1 3.35Å; V945-N998 WeakPolarHBondContact CA-OD1 3.02Å |
| 946 | K | 83.9 | Confident | 86.2 | Confident | 143 Ų | 143 | 51.6 Ų | 51.6 | 62% | 0.622 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 135.6 | 173.2 | 175.8 | 176.2 | -178.7 | -180 | 0 | 111 | R996 N998 | K946-R996 VanDerWaalsContact CD-O 3.24Å; K946-R996 WeakPolarHBondContact CD-O 3.45Å; K946-R996 VanDerWaalsContact CE-O 3.27Å; K946-R996 WeakPolarHBondContact CE-O 3.5Å; K946-R996 WeakPolarHBondContact CG-O 3.44Å; K946-N998 WeakPolarHBondContact CB-OD1 3.19Å; K946-N998 PolarHBondContact N-OD1 3.35Å |
| 947 | G | 82.6 | Confident | 86.1 | Confident | 44 Ų | 44 | 52.2 Ų | 52.2 | 45% | 0.454 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 9.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | V945 P949 T995 | V945-G947 PolarHBondContact O-N 2.8Å; G947-P949 WeakPolarHBondContact O-CD 3.41Å; G947-T995 PolarHBondContact N-O 2.86Å; G947-T995 PolarHBondContact N-OG1 3.48Å; G947-T995 VanDerWaalsContact N-OG1 3.08Å |
| 948 | T | 84.3 | Confident | 86 | Confident | 40 Ų | 40 | 48.9 Ų | 48.9 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | trans | -70.2 | 123.2 | 175.6 | -61 | 0 | 0 | 0 | 0 | 109.5 | A944 V945 V994 T995 | A944-T948 HydrophobicContact CB-CG2 4.21Å; V945-T948 WeakPolarHBondContact O-CB 3.35Å; V945-T948 PolarHBondContact O-N 2.78Å; V945-T948 PolarHBondContact O-OG1 2.92Å; T948-V994 CarbonylContact O-C 3.57Å; T948-V994 VanDerWaalsContact O-CA 3.29Å; T948-V994 WeakPolarHBondContact O-CA 3.42Å; T948-T995 PolarHBondContact N-OG1 2.83Å; T948-T995 PolarHBondContact O-N 2.84Å | ||
| 949 | P | 85.6 | Confident | 86 | Confident | 76 Ų | 76 | 48.9 Ų | 48.9 | 49% | 0.494 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 136.4 | 177.7 | 31.3 | -34.2 | 0 | 0 | 0 | 111.2 | G947 R992 | G947-P949 WeakPolarHBondContact O-CD 3.41Å; P949-R992 HydrophobicContact CB-CG 4.27Å |
| 950 | I | 86.9 | Confident | 85.7 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -52.2 | -173.3 | -59.2 | 175.3 | 0 | 0 | 0 | 110.9 | V940 F984 V993 T995 I1029 | V940-I950 HydrophobicContact CB-CD1 4.35Å; V940-I950 HydrophobicContact CB-CG1 4.27Å; V940-I950 HydrophobicContact CG2-CD1 4.3Å; V940-I950 HydrophobicContact CG2-CG1 4.19Å; I950-F984 HydrophobicContact CD1-CD1 3.26Å; I950-F984 HydrophobicContact CD1-CE1 3.33Å; I950-F984 HydrophobicContact CD1-CG 4.32Å; I950-F984 HydrophobicContact CD1-CZ 4.44Å; I950-V993 WeakPolarHBondContact CB-O 3.42Å; I950-V993 HydrophobicContact CD1-CG1 4.49Å; I950-V993 PolarHBondContact N-O 3.49Å; I950-T995 HydrophobicContact CD1-CG2 4.03Å; I950-T995 HydrophobicContact CG1-CG2 4.49Å; I950-I1029 HydrophobicContact CD1-CD1 4.03Å; I950-I1029 HydrophobicContact CD1-CG2 4.25Å; I950-I1029 HydrophobicContact CG2-CD1 4.4Å; I950-I1029 HydrophobicContact CG2-CG1 4.12Å; I950-I1029 HydrophobicContact CG2-CG2 3.93Å |
| 951 | T | 88.3 | Confident | 85.4 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 171.4 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 108.9 | K937 V993 V1027 | K937-T951 PolarHBondContact O-OG1 3.2Å; T951-V993 HydrophobicContact CG2-CB 4.02Å; T951-V993 HydrophobicContact CG2-CG2 3.99Å; T951-V993 WeakPolarHBondContact O-CB 3.13Å; T951-V993 PolarHBondContact O-N 3.06Å; T951-V1027 HydrophobicContact CG2-CG1 3.56Å |
| 952 | T | 90.1 | Very high | 85.3 | Confident | 78 Ų | 78 | 56.5 Ų | 56.5 | 48% | 0.479 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.1 | 172.3 | -50.7 | 0 | 0 | 0 | 0 | 109.5 | S990 G991 | T952-S990 WeakPolarHBondContact CG2-O 3.47Å; T952-G991 WeakPolarHBondContact CA-O 3.29Å |
| 953 | V | 92.3 | Very high | 85.2 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | trans | -97.9 | 156.1 | 170.5 | -59.7 | 0 | 0 | 0 | 0 | 109.9 | F931 Y936 Y970 V986 G991 V993 V1011 V1027 | F931-V953 HydrophobicContact CD1-CB 4.37Å; F931-V953 HydrophobicContact CE1-CB 3.97Å; F931-V953 HydrophobicContact CE1-CG2 3.99Å; Y936-V953 HydrophobicContact CD1-CG1 4.14Å; Y936-V953 HydrophobicContact CD2-CB 4.36Å; Y936-V953 HydrophobicContact CD2-CG1 3.71Å; Y936-V953 HydrophobicContact CE1-CB 4.37Å; Y936-V953 HydrophobicContact CE1-CG1 4.4Å; Y936-V953 HydrophobicContact CE2-CB 4.11Å; Y936-V953 HydrophobicContact CE2-CG1 3.98Å; Y936-V953 HydrophobicContact CG-CG1 3.81Å; V953-Y970 HydrophobicContact CG2-CD1 3.79Å; V953-Y970 HydrophobicContact CG2-CE1 3.98Å; V953-Y970 HydrophobicContact CG2-CG 4.34Å; V953-V986 HydrophobicContact CG2-CG2 4.31Å; V953-G991 WeakPolarHBondContact CG2-O 3.48Å; V953-G991 PolarHBondContact N-O 3.4Å; V953-V993 HydrophobicContact CG1-CG2 4.18Å; V953-V1011 HydrophobicContact CG2-CG1 3.96Å; V953-V1027 HydrophobicContact CG1-CG2 3.71Å | ||
| 954 | Y | 92.8 | Very high | 85.3 | Confident | 119 Ų | 119 | 57.9 Ų | 57.9 | 47% | 0.467 | 35% | 0.354 | S | S | . | . | trans | -149.8 | 125.3 | -177.1 | -178.5 | -103.6 | 0 | 0 | 0 | 110.8 | S932 Y936 E956 | S932-Y954 PolarHBondContact N-O 3.1Å; S932-Y954 PolarHBondContact OG-O 3.13Å; Y936-Y954 PolarHBondContact OH-N 2.81Å; Y936-Y954 PolarHBondContact OH-O 2.88Å; Y954-E956 HydrophobicContact CD1-CG 4.44Å; Y954-E956 HydrophobicContact CE1-CG 3.46Å; Y954-E956 VanDerWaalsContact CE1-CG 3.46Å; Y954-E956 WeakPolarHBondContact CE1-OE1 3.49Å; Y954-E956 VanDerWaalsContact CZ-OE1 3.3Å; Y954-E956 WeakPolarHBondContact OH-CG 3.47Å; Y954-E956 PolarHBondContact OH-OE1 2.95Å | ||
| 955 | A | 92.2 | Very high | 85.3 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.033 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P929 V930 F931 V968 Y970 A1013 | P929-A955 HydrophobicContact CB-CB 4.45Å; V930-A955 CarbonylContact O-C 3.51Å; V930-A955 WeakPolarHBondContact O-CA 3.38Å; V930-A955 WeakPolarHBondContact O-CB 3.49Å; F931-A955 HydrophobicContact CB-CB 4.5Å; F931-A955 HydrophobicContact CD1-CB 3.92Å; F931-A955 HydrophobicContact CD2-CB 4.42Å; F931-A955 HydrophobicContact CE1-CB 4.23Å; F931-A955 HydrophobicContact CG-CB 4.03Å; A955-V968 HydrophobicContact CB-CG1 4.1Å; A955-Y970 HydrophobicContact CB-CE1 4.04Å; A955-Y970 PolarHBondContact N-OH 2.78Å; A955-Y970 PolarHBondContact O-OH 3.27Å; A955-A1013 HydrophobicContact CB-CB 3.7Å |
| 956 | E | 89.8 | Confident | 85.3 | Confident | 117 Ų | 117 | 54.5 Ų | 54.5 | 55% | 0.547 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.6 | 178.2 | -71 | 177.9 | 161.5 | 0 | 0 | 109.4 | P929 V930 Y954 | P929-E956 CarbonylContact C-O 3.57Å; V930-E956 PolarHBondContact N-O 3.33Å; V930-E956 PolarHBondContact O-N 2.88Å; Y954-E956 HydrophobicContact CD1-CG 4.44Å; Y954-E956 HydrophobicContact CE1-CG 3.46Å; Y954-E956 VanDerWaalsContact CE1-CG 3.46Å; Y954-E956 WeakPolarHBondContact CE1-OE1 3.49Å; Y954-E956 VanDerWaalsContact CZ-OE1 3.3Å; Y954-E956 WeakPolarHBondContact OH-CG 3.47Å; Y954-E956 PolarHBondContact OH-OE1 2.95Å |
| 957 | D | 87.7 | Confident | 85.5 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 13% | 0.128 | 33% | 0.328 | C | S | . | . | trans | -100.6 | 143.2 | 168.8 | -148 | -53.6 | 0 | 0 | 0 | 109.8 | Y927 P929 D959 V968 | Y927-D957 WeakPolarHBondContact CB-OD1 3.48Å; P929-D957 WeakPolarHBondContact CA-OD2 3.33Å; P929-D957 WeakPolarHBondContact CD-OD2 3.38Å; P929-D957 WeakPolarHBondContact CG-OD2 3.41Å; D957-D959 PolarHBondContact OD1-N 2.8Å; D957-D959 VanDerWaalsContact OD1-N 3.15Å; D957-V968 HydrophobicContact CB-CG2 3.93Å | ||
| 958 | A | 84.1 | Confident | 85.9 | Confident | 67 Ų | 67 | 53 Ų | 53 | 55% | 0.554 | 31% | 0.314 | S | S | * | . | trans | -90.3 | -10 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y927 | Y927-A958 HydrophobicContact CD1-CB 3.75Å; Y927-A958 HydrophobicContact CD2-CB 4.23Å; Y927-A958 HydrophobicContact CE1-CB 4.37Å; Y927-A958 HydrophobicContact CG-CB 3.7Å | ||
| 959 | D | 83.6 | Confident | 86.3 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -58.1 | 155.5 | 172.9 | -71.9 | -40.3 | 0 | 0 | 0 | 112.1 | N925 Y927 D957 A965 S966 | N925-D959 PolarHBondContact OD1-OD2 2.94Å; Y927-D959 WeakPolarHBondContact CD2-OD1 3.26Å; D957-D959 PolarHBondContact OD1-N 2.8Å; D957-D959 VanDerWaalsContact OD1-N 3.15Å; D959-A965 HydrophobicContact CB-CB 3.84Å; D959-A965 WeakPolarHBondContact OD2-CB 3.45Å; D959-S966 VanDerWaalsContact O-CB 3.23Å; D959-S966 WeakPolarHBondContact O-CB 3.31Å |
| 960 | P | 79.3 | Confident | 86.7 | Confident | 19 Ų | 19 | 51.3 Ų | 51.3 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 129.2 | -177.4 | -28.1 | 34.7 | 0 | 0 | 0 | 113.6 | Y887 E888 G962 M963 S966 | Y887-P960 HydrophobicContact CD1-CG 4.17Å; Y887-P960 HydrophobicContact CE1-CG 3.99Å; E888-P960 WeakPolarHBondContact OE1-CD 3.37Å; P960-G962 PolarHBondContact O-N 3.43Å; P960-M963 HydrophobicContact CB-CG 4.2Å; P960-M963 WeakPolarHBondContact O-CG 2.87Å; P960-M963 PolarHBondContact O-N 2.93Å; P960-S966 VanDerWaalsContact O-CB 3.29Å; P960-S966 WeakPolarHBondContact O-CB 3.41Å; P960-S966 PolarHBondContact O-OG 2.88Å |
| 961 | P | 77.8 | Confident | 87.1 | Confident | 116 Ų | 116 | 56.1 Ų | 56.1 | 75% | 0.753 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 127.8 | -171.5 | 24.6 | -33.3 | 0 | 0 | 0 | 112 | S966 | P961-S966 WeakPolarHBondContact CA-OG 3.31Š|
| 962 | G | 78.6 | Confident | 87.3 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 83% | 0.825 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.3 | -10.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P960 S966 | P960-G962 PolarHBondContact O-N 3.43Å; G962-S966 PolarHBondContact N-OG 2.92Å; G962-S966 VanDerWaalsContact N-OG 3.09Å |
| 963 | M | 81.1 | Confident | 87.3 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 31% | 0.305 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -75.7 | 156.8 | 169.2 | -62 | -77.3 | -168.2 | 0 | 0 | 111.1 | D923 P960 A965 S966 R967 | D923-M963 WeakPolarHBondContact OD2-CE 3.07Å; P960-M963 HydrophobicContact CB-CG 4.2Å; P960-M963 WeakPolarHBondContact O-CG 2.87Å; P960-M963 PolarHBondContact O-N 2.93Å; M963-A965 HydrophobicContact CB-CB 4.21Å; M963-A965 PolarHBondContact O-N 3.21Å; M963-S966 PolarHBondContact N-OG 2.89Å; M963-S966 PolarHBondContact O-N 3.32Å; M963-S966 PolarHBondContact O-OG 2.86Å; M963-R967 PolarHBondContact O-N 3.43Å |
| 964 | P | 83.3 | Confident | 86.8 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -55.3 | -34.7 | 167.7 | -24.5 | 34.7 | 0 | 0 | 0 | 113 | S966 R967 D1016 | P964-S966 PolarHBondContact O-N 2.89Å; P964-R967 PolarHBondContact O-N 2.86Å; P964-D1016 HydrophobicContact CB-CB 3.92Å; P964-D1016 WeakPolarHBondContact CB-O 3.14Å; P964-D1016 CarbonylContact O-C 3.52Å; P964-D1016 WeakPolarHBondContact O-CA 3.23Å; P964-D1016 WeakPolarHBondContact O-CB 3.32Å; P964-D1016 PolarHBondContact O-N 3.3Å |
| 965 | A | 82.2 | Confident | 86.2 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | N925 D959 M963 R967 D1015 | N925-A965 HydrophobicContact CB-CB 4.17Å; N925-A965 VanDerWaalsContact OD1-CA 3.27Å; N925-A965 WeakPolarHBondContact OD1-CA 3.47Å; N925-A965 WeakPolarHBondContact OD1-CB 3.23Å; D959-A965 HydrophobicContact CB-CB 3.84Å; D959-A965 WeakPolarHBondContact OD2-CB 3.45Å; M963-A965 HydrophobicContact CB-CB 4.21Å; M963-A965 PolarHBondContact O-N 3.21Å; A965-R967 PolarHBondContact O-N 3.29Å; A965-D1015 WeakPolarHBondContact O-CB 3.12Å |
| 966 | S | 85 | Confident | 85.7 | Confident | 23 Ų | 23 | 63.2 Ų | 63.2 | 16% | 0.161 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -1.8 | 179.2 | 60.3 | 0 | 0 | 0 | 0 | 115.4 | D959 P960 P961 G962 M963 P964 V968 | D959-S966 VanDerWaalsContact O-CB 3.23Å; D959-S966 WeakPolarHBondContact O-CB 3.31Å; P960-S966 VanDerWaalsContact O-CB 3.29Å; P960-S966 WeakPolarHBondContact O-CB 3.41Å; P960-S966 PolarHBondContact O-OG 2.88Å; P961-S966 WeakPolarHBondContact CA-OG 3.31Å; G962-S966 PolarHBondContact N-OG 2.92Å; G962-S966 VanDerWaalsContact N-OG 3.09Å; M963-S966 PolarHBondContact N-OG 2.89Å; M963-S966 PolarHBondContact O-N 3.32Å; M963-S966 PolarHBondContact O-OG 2.86Å; P964-S966 PolarHBondContact O-N 2.89Å; S966-V968 PolarHBondContact O-N 2.95Å |
| 967 | R | 87.8 | Confident | 85.6 | Confident | 130 Ų | 130 | 61 Ų | 61 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | trans | -86.4 | 98.7 | -175.4 | -172.6 | -179.2 | 176.7 | -168 | -2.6 | 111.6 | M963 P964 A965 D989 D1015 D1016 | M963-R967 PolarHBondContact O-N 3.43Å; P964-R967 PolarHBondContact O-N 2.86Å; A965-R967 PolarHBondContact O-N 3.29Å; R967-D989 IonicContact NH2-OD1 2.89Å; R967-D989 PolarHBondContact NH2-OD1 2.95Å; R967-D1015 WeakPolarHBondContact O-CA 3.21Å; R967-D1016 IonicContact NH1-OD2 3.35Å | ||
| 968 | V | 90.6 | Very high | 85.5 | Confident | 26 Ų | 26 | 64 Ų | 64 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | trans | -77.2 | 124.6 | 178.5 | -173 | 0 | 0 | 0 | 0 | 112.5 | P929 A955 D957 S966 Y970 A1013 | P929-V968 HydrophobicContact CB-CG1 4.07Å; P929-V968 HydrophobicContact CB-CG2 4.01Å; P929-V968 HydrophobicContact CG-CG2 4.3Å; A955-V968 HydrophobicContact CB-CG1 4.1Å; D957-V968 HydrophobicContact CB-CG2 3.93Å; S966-V968 PolarHBondContact O-N 2.95Å; V968-Y970 HydrophobicContact CG1-CE1 4.1Å; V968-Y970 HydrophobicContact CG1-CE2 4.32Å; V968-A1013 HydrophobicContact CG1-CB 3.93Å | ||
| 969 | R | 93.2 | Very high | 85.8 | Confident | 67 Ų | 67 | 66.5 Ų | 66.5 | 25% | 0.253 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 154.9 | 167.7 | -67.7 | -169.1 | -68.3 | 155 | -6.2 | 111.5 | E988 A1013 F1014 D1016 | R969-E988 WeakPolarHBondContact CA-O 3.31Å; R969-E988 HydrophobicContact CB-CG 4.08Å; R969-E988 WeakPolarHBondContact CD-OE1 3.2Å; R969-E988 HydrophobicContact CG-CG 4.32Å; R969-E988 IonicContact CZ-OE1 3.09Å; R969-E988 IonicContact NE-OE1 3.27Å; R969-E988 IonicContact NH1-OE1 3.39Å; R969-E988 PolarHBondContact NH1-OE1 3.14Å; R969-A1013 CarbonylContact O-C 3.57Å; R969-A1013 WeakPolarHBondContact O-CA 3.28Å; R969-F1014 HydrophobicContact CB-CE1 4.02Å; R969-F1014 HydrophobicContact CB-CE2 3.95Å; R969-F1014 HydrophobicContact CB-CZ 3.67Å; R969-F1014 PolarHBondContact N-O 2.76Å; R969-F1014 WeakPolarHBondContact O-CD1 3.44Å; R969-F1014 PolarHBondContact O-N 2.65Å; R969-D1016 IonicContact CZ-OD1 3.1Å; R969-D1016 IonicContact CZ-OD2 2.75Å; R969-D1016 IonicContact NE-OD1 3.19Å; R969-D1016 PolarHBondContact NE-OD1 3.14Å; R969-D1016 IonicContact NE-OD2 3.61Å; R969-D1016 PolarHBondContact NE-OD2 3.4Å; R969-D1016 IonicContact NH2-OD1 2.61Å; R969-D1016 PolarHBondContact NH2-OD1 3.42Å; R969-D1016 IonicContact NH2-OD2 2.87Å |
| 970 | Y | 94.9 | Very high | 86.1 | Confident | 13 Ų | 13 | 67 Ų | 67 | 5% | 0.051 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 142.2 | -177.1 | -55 | -83.2 | 0 | 0 | 0 | 111.9 | F931 V953 A955 V968 E988 G991 V1011 V1012 A1013 | F931-Y970 HydrophobicContact CE1-CD1 4.06Å; F931-Y970 AromaticContact CE1-CE1 3.84Å; F931-Y970 HydrophobicContact CE1-CE1 3.84Å; F931-Y970 HydrophobicContact CZ-CD1 4.22Å; F931-Y970 HydrophobicContact CZ-CE1 4.3Å; V953-Y970 HydrophobicContact CG2-CD1 3.79Å; V953-Y970 HydrophobicContact CG2-CE1 3.98Å; V953-Y970 HydrophobicContact CG2-CG 4.34Å; A955-Y970 HydrophobicContact CB-CE1 4.04Å; A955-Y970 PolarHBondContact N-OH 2.78Å; A955-Y970 PolarHBondContact O-OH 3.27Å; V968-Y970 HydrophobicContact CG1-CE1 4.1Å; V968-Y970 HydrophobicContact CG1-CE2 4.32Å; Y970-E988 WeakPolarHBondContact CD2-O 3.28Å; Y970-E988 PolarHBondContact N-O 2.87Å; Y970-E988 WeakPolarHBondContact O-CA 3.49Å; Y970-G991 VanDerWaalsContact CD2-CA 3.47Å; Y970-V1011 HydrophobicContact CD1-CG1 4.29Å; Y970-V1012 WeakPolarHBondContact CA-O 3.38Å; Y970-A1013 HydrophobicContact CD1-CB 4.02Å; Y970-A1013 HydrophobicContact CE1-CB 3.95Å |
| 971 | R | 93.9 | Very high | 86.6 | Confident | 113 Ų | 113 | 66.2 Ų | 66.2 | 43% | 0.426 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 158 | 169.2 | 65.1 | -175.4 | 176.5 | 78.6 | -0.1 | 111.2 | V1011 V1012 F1014 | R971-V1011 WeakPolarHBondContact O-CA 3.06Å; R971-V1012 HydrophobicContact CG-CB 4.05Å; R971-V1012 PolarHBondContact N-O 3.38Å; R971-V1012 PolarHBondContact O-N 3.13Å; R971-F1014 HydrophobicContact CB-CE1 3.84Å; R971-F1014 HydrophobicContact CG-CD1 3.88Å; R971-F1014 HydrophobicContact CG-CE1 3.53Å |
| 972 | V | 92.9 | Very high | 87.1 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 136.2 | 170.5 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | A981 V986 L1009 | V972-A981 HydrophobicContact CG1-CB 3.59Å; V972-V986 HydrophobicContact CG2-CB 4.27Å; V972-V986 HydrophobicContact CG2-CG1 3.93Å; V972-L1009 HydrophobicContact CG1-CD1 3.5Å; V972-L1009 VanDerWaalsContact CG1-CD1 3.5Å; V972-L1009 HydrophobicContact CG1-CG 4.2Å; V972-L1009 HydrophobicContact CG2-CD1 4.24Å; V972-L1009 HydrophobicContact CG2-CD2 4.24Å; V972-L1009 HydrophobicContact CG2-CG 4.43Å |
| 973 | D | 89.6 | Confident | 87.8 | Confident | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.134 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 108.9 | 163.9 | 176 | 11.9 | 0 | 0 | 0 | 109.1 | V975 Q976 V1010 V1012 | D973-V975 VanDerWaalsContact C-N 3.35Å; D973-V975 WeakPolarHBondContact OD1-CB 3.5Å; D973-V975 PolarHBondContact OD1-N 3.25Å; D973-Q976 PolarHBondContact OD2-NE2 3.29Å; D973-V1010 HydrophobicContact CB-CB 4.09Å; D973-V1010 HydrophobicContact CB-CG1 3.95Å; D973-V1010 PolarHBondContact N-O 3.3Å; D973-V1012 HydrophobicContact CB-CG2 3.86Å |
| 974 | D | 83.1 | Confident | 88.4 | Confident | 109 Ų | 109 | 57 Ų | 57 | 58% | 0.583 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -4.3 | -177.4 | 65.9 | -14.7 | 0 | 0 | 0 | 113.7 | P978 A981 | D974-P978 WeakPolarHBondContact O-CA 3.21Å; D974-A981 HydrophobicContact CB-CB 3.89Å |
| 975 | V | 79.8 | Confident | 88.9 | Confident | 118 Ų | 118 | 55.5 Ų | 55.5 | 72% | 0.715 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -45.1 | -176.7 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | D973 | D973-V975 VanDerWaalsContact C-N 3.35Å; D973-V975 WeakPolarHBondContact OD1-CB 3.5Å; D973-V975 PolarHBondContact OD1-N 3.25Å |
| 976 | Q | 82.2 | Confident | 89.5 | Confident | 109 Ų | 109 | 55.6 Ų | 55.6 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -41 | -173.4 | -72 | -176.3 | 62.2 | 0 | 0 | 113.3 | D973 V1010 | D973-Q976 PolarHBondContact OD2-NE2 3.29Å; Q976-V1010 HydrophobicContact CB-CG2 4.4Å |
| 977 | F | 87 | Confident | 89.9 | Confident | 72 Ų | 72 | 57.6 Ų | 57.6 | 32% | 0.316 | 28% | 0.283 | S | S | . | . | trans | -137.3 | 76 | -176.6 | -60.7 | -74.2 | 0 | 0 | 0 | 110.7 | Y979 P980 A981 K1008 V1010 | F977-Y979 VanDerWaalsContact C-N 3.33Å; F977-Y979 PolarHBondContact O-N 2.88Å; F977-P980 HydrophobicContact CB-CB 4.26Å; F977-P980 HydrophobicContact CB-CG 3.94Å; F977-P980 WeakPolarHBondContact O-CD 3.42Å; F977-A981 WeakPolarHBondContact O-CB 3.42Å; F977-A981 PolarHBondContact O-N 3.42Å; F977-K1008 WeakPolarHBondContact CB-O 3.42Å; F977-K1008 HydrophobicContact CD2-CB 4.23Å; F977-K1008 HydrophobicContact CE1-CB 4.38Å; F977-K1008 HydrophobicContact CE2-CB 4.05Å; F977-K1008 HydrophobicContact CG-CB 4.48Å; F977-K1008 WeakPolarHBondContact CG-O 3.09Å; F977-K1008 HydrophobicContact CZ-CB 4.13Å; F977-K1008 HydrophobicContact CZ-CD 4.12Å; F977-V1010 HydrophobicContact CD2-CG2 3.9Å; F977-V1010 HydrophobicContact CE2-CG2 3.91Å | ||
| 978 | P | 86 | Confident | 90.1 | Very high | 87 Ų | 87 | 55.7 Ų | 55.7 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.6 | -34.3 | -169.7 | 20.7 | -32.1 | 0 | 0 | 0 | 113.6 | D974 S982 | D974-P978 WeakPolarHBondContact O-CA 3.21Å; P978-S982 WeakPolarHBondContact O-CB 3.45Å; P978-S982 PolarHBondContact O-N 2.85Å |
| 979 | Y | 90 | Very high | 90.1 | Very high | 118 Ų | 118 | 59.7 Ų | 59.7 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.2 | -55.9 | 177.5 | -177.9 | -98.2 | 0 | 0 | 0 | 112.3 | F977 A981 S982 I983 E1001 F1007 | F977-Y979 VanDerWaalsContact C-N 3.33Å; F977-Y979 PolarHBondContact O-N 2.88Å; Y979-A981 PolarHBondContact O-N 3.42Å; Y979-S982 WeakPolarHBondContact O-CA 3.4Å; Y979-S982 WeakPolarHBondContact O-CB 3.39Å; Y979-S982 PolarHBondContact O-N 2.8Å; Y979-S982 PolarHBondContact O-OG 2.89Å; Y979-I983 HydrophobicContact CD1-CD1 4.28Å; Y979-I983 HydrophobicContact CE1-CD1 3.78Å; Y979-I983 PolarHBondContact O-N 2.83Å; Y979-E1001 PolarHBondContact OH-OE1 2.97Å; Y979-E1001 PolarHBondContact OH-OE2 3.1Å; Y979-F1007 AromaticContact CD1-CE1 3.95Å; Y979-F1007 HydrophobicContact CD1-CE1 3.95Å; Y979-F1007 AromaticContact CE1-CE1 3.8Å; Y979-F1007 HydrophobicContact CE1-CE1 3.8Å; Y979-F1007 HydrophobicContact CE1-CZ 4.1Å |
| 980 | P | 90.6 | Very high | 89.9 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -50.5 | -41.7 | 170.4 | -31.1 | 37.1 | 0 | 0 | 0 | 114.1 | F977 S982 I983 F984 F1007 K1008 L1009 | F977-P980 HydrophobicContact CB-CB 4.26Å; F977-P980 HydrophobicContact CB-CG 3.94Å; F977-P980 WeakPolarHBondContact O-CD 3.42Å; P980-S982 PolarHBondContact O-N 2.93Å; P980-I983 WeakPolarHBondContact O-CG1 3.06Å; P980-I983 PolarHBondContact O-N 3.17Å; P980-F984 HydrophobicContact CB-CD2 4.4Å; P980-F984 WeakPolarHBondContact O-CD2 3.27Å; P980-F984 PolarHBondContact O-N 2.87Å; P980-F1007 HydrophobicContact CB-CB 4.34Å; P980-F1007 HydrophobicContact CG-CB 4.22Å; P980-F1007 HydrophobicContact CG-CD1 3.9Å; P980-F1007 HydrophobicContact CG-CG 4.44Å; P980-K1008 WeakPolarHBondContact CB-O 3.47Å; P980-L1009 HydrophobicContact CB-CD1 4.28Å |
| 981 | A | 89 | Confident | 89.7 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.5 | -19.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | V972 D974 F977 Y979 R996 L1009 | V972-A981 HydrophobicContact CG1-CB 3.59Å; D974-A981 HydrophobicContact CB-CB 3.89Å; F977-A981 WeakPolarHBondContact O-CB 3.42Å; F977-A981 PolarHBondContact O-N 3.42Å; Y979-A981 PolarHBondContact O-N 3.42Å; A981-R996 PolarHBondContact O-NH1 3.1Å; A981-R996 VanDerWaalsContact O-NH1 3.15Å; A981-L1009 HydrophobicContact CB-CD1 4.45Å |
| 982 | S | 89.4 | Confident | 89.6 | Confident | 55 Ų | 55 | 58.2 Ų | 58.2 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -82 | -24.6 | 174.2 | 76 | 0 | 0 | 0 | 0 | 113.3 | P978 Y979 P980 | P978-S982 WeakPolarHBondContact O-CB 3.45Å; P978-S982 PolarHBondContact O-N 2.85Å; Y979-S982 WeakPolarHBondContact O-CA 3.4Å; Y979-S982 WeakPolarHBondContact O-CB 3.39Å; Y979-S982 PolarHBondContact O-N 2.8Å; Y979-S982 PolarHBondContact O-OG 2.89Å; P980-S982 PolarHBondContact O-N 2.93Å |
| 983 | I | 92.4 | Very high | 89.6 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 5% | 0.046 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -110.2 | -18.4 | -175 | 62.8 | 172.1 | 0 | 0 | 0 | 114.2 | Y979 P980 R996 V997 L999 E1001 F1007 | Y979-I983 HydrophobicContact CD1-CD1 4.28Å; Y979-I983 HydrophobicContact CE1-CD1 3.78Å; Y979-I983 PolarHBondContact O-N 2.83Å; P980-I983 WeakPolarHBondContact O-CG1 3.06Å; P980-I983 PolarHBondContact O-N 3.17Å; I983-R996 WeakPolarHBondContact O-CB 3.48Å; I983-R996 PolarHBondContact O-N 2.69Å; I983-V997 HydrophobicContact CB-CG2 3.94Å; I983-V997 HydrophobicContact CG2-CG2 3.82Å; I983-L999 HydrophobicContact CB-CD2 4.16Å; I983-L999 HydrophobicContact CD1-CD2 4.34Å; I983-E1001 HydrophobicContact CD1-CG 4.46Å; I983-F1007 HydrophobicContact CD1-CD2 4.38Å; I983-F1007 HydrophobicContact CD1-CE1 4.17Å; I983-F1007 HydrophobicContact CD1-CE2 3.93Å; I983-F1007 HydrophobicContact CD1-CZ 3.83Å |
| 984 | F | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 153.8 | 173.5 | -56.9 | -65.4 | 0 | 0 | 0 | 110.9 | V940 I950 P980 V994 T995 L999 F1007 L1009 I1029 | V940-F984 HydrophobicContact CG1-CE1 4.37Å; V940-F984 HydrophobicContact CG1-CZ 4.39Å; I950-F984 HydrophobicContact CD1-CD1 3.26Å; I950-F984 HydrophobicContact CD1-CE1 3.33Å; I950-F984 HydrophobicContact CD1-CG 4.32Å; I950-F984 HydrophobicContact CD1-CZ 4.44Å; P980-F984 HydrophobicContact CB-CD2 4.4Å; P980-F984 WeakPolarHBondContact O-CD2 3.27Å; P980-F984 PolarHBondContact O-N 2.87Å; F984-V994 CarbonylContact C-O 3.53Å; F984-V994 WeakPolarHBondContact CA-O 3.36Å; F984-T995 HydrophobicContact CD1-CG2 4.19Å; F984-T995 HydrophobicContact CE1-CG2 4.03Å; F984-L999 HydrophobicContact CE1-CD1 4.03Å; F984-L999 HydrophobicContact CE1-CD2 4.35Å; F984-L999 HydrophobicContact CZ-CD1 4.3Å; F984-F1007 HydrophobicContact CE2-CB 3.84Å; F984-F1007 AromaticContact CE2-CD2 3.43Å; F984-F1007 HydrophobicContact CE2-CD2 3.43Å; F984-F1007 VanDerWaalsContact CE2-CD2 3.43Å; F984-F1007 HydrophobicContact CE2-CE2 4.1Å; F984-F1007 AromaticContact CE2-CG 3.73Å; F984-F1007 HydrophobicContact CE2-CG 3.73Å; F984-F1007 AromaticContact CZ-CD2 3.67Å; F984-F1007 HydrophobicContact CZ-CD2 3.67Å; F984-F1007 HydrophobicContact CZ-CE2 4.13Å; F984-F1007 HydrophobicContact CZ-CG 4.43Å; F984-L1009 HydrophobicContact CB-CD1 4.18Å; F984-L1009 HydrophobicContact CB-CD2 3.9Å; F984-I1029 HydrophobicContact CB-CD1 4.37Å; F984-I1029 HydrophobicContact CD1-CD1 3.95Å; F984-I1029 HydrophobicContact CD2-CD1 3.66Å; F984-I1029 HydrophobicContact CE1-CD1 4.13Å; F984-I1029 HydrophobicContact CE1-CG2 4.25Å; F984-I1029 HydrophobicContact CE2-CD1 3.88Å; F984-I1029 HydrophobicContact CE2-CG2 4.48Å; F984-I1029 HydrophobicContact CG-CD1 3.71Å; F984-I1029 HydrophobicContact CZ-CD1 4.11Å; F984-I1029 HydrophobicContact CZ-CG2 3.95Å |
| 985 | D | 93.3 | Very high | 90 | Very high | 48 Ų | 48 | 51.7 Ų | 51.7 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 167.6 | 175.4 | -143.5 | -14.7 | 0 | 0 | 0 | 110.7 | V993 V994 R996 | D985-V993 CarbonylContact O-C 3.02Å; D985-V993 WeakPolarHBondContact O-CA 3.24Å; D985-V994 HydrophobicContact CB-CG2 4.08Å; D985-V994 PolarHBondContact N-O 3.42Å; D985-V994 PolarHBondContact O-N 3.47Å; D985-R996 HydrophobicContact CB-CB 4.28Å; D985-R996 IonicContact OD1-CZ 3.87Å; D985-R996 IonicContact OD1-NH2 2.63Å; D985-R996 PolarHBondContact OD1-NH2 2.68Å; D985-R996 IonicContact OD2-CZ 2.73Å; D985-R996 VanDerWaalsContact OD2-CZ 3.26Å; D985-R996 IonicContact OD2-NE 3.48Å; D985-R996 PolarHBondContact OD2-NE 3.25Å; D985-R996 IonicContact OD2-NH2 3.52Å; D985-R996 PolarHBondContact OD2-NH2 3.47Å |
| 986 | V | 94.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133.7 | 167 | 69.5 | 0 | 0 | 0 | 0 | 109.1 | V953 V972 E988 R992 V993 V1011 | V953-V986 HydrophobicContact CG2-CG2 4.31Å; V972-V986 HydrophobicContact CG2-CB 4.27Å; V972-V986 HydrophobicContact CG2-CG1 3.93Å; V986-E988 PolarHBondContact O-N 3.48Å; V986-R992 WeakPolarHBondContact CA-O 3.48Å; V986-V993 HydrophobicContact CG2-CG2 4.23Å; V986-V1011 HydrophobicContact CB-CG1 4.44Å; V986-V1011 HydrophobicContact CG1-CG1 4.11Å; V986-V1011 HydrophobicContact CG2-CG1 4.26Å |
| 987 | E | 93.2 | Very high | 90.8 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | trans | -68.6 | 127.5 | 171.2 | -78.1 | 172.7 | -161.7 | 0 | 0 | 110.2 | D989 S990 G991 R992 | E987-D989 PolarHBondContact O-N 2.93Å; E987-S990 WeakPolarHBondContact CB-OG 3.3Å; E987-S990 PolarHBondContact O-N 2.75Å; E987-S990 PolarHBondContact OE2-OG 3.31Å; E987-G991 PolarHBondContact O-N 2.85Å; E987-R992 HydrophobicContact CB-CB 4.32Å; E987-R992 PolarHBondContact N-O 2.58Å; E987-R992 IonicContact OE1-CZ 2.79Å; E987-R992 IonicContact OE1-NE 3.27Å; E987-R992 PolarHBondContact OE1-NE 3.43Å; E987-R992 VanDerWaalsContact OE1-NE 3.09Å; E987-R992 IonicContact OE1-NH2 3.48Å; E987-R992 PolarHBondContact OE1-NH2 3.49Å; E987-R992 IonicContact OE2-CZ 2.81Å; E987-R992 IonicContact OE2-NE 3.83Å; E987-R992 PolarHBondContact OE2-NE 3.05Å; E987-R992 IonicContact OE2-NH2 3.66Å; E987-R992 PolarHBondContact OE2-NH2 3.31Å | ||
| 988 | E | 92.5 | Very high | 90.7 | Very high | 91 Ų | 91 | 50.2 Ų | 50.2 | 43% | 0.425 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -43.7 | -165.5 | -170.8 | 171.8 | -179.9 | 0 | 0 | 114 | R969 Y970 V986 | R969-E988 WeakPolarHBondContact CA-O 3.31Å; R969-E988 HydrophobicContact CB-CG 4.08Å; R969-E988 WeakPolarHBondContact CD-OE1 3.2Å; R969-E988 HydrophobicContact CG-CG 4.32Å; R969-E988 IonicContact CZ-OE1 3.09Å; R969-E988 IonicContact NE-OE1 3.27Å; R969-E988 IonicContact NH1-OE1 3.39Å; R969-E988 PolarHBondContact NH1-OE1 3.14Å; Y970-E988 WeakPolarHBondContact CD2-O 3.28Å; Y970-E988 PolarHBondContact N-O 2.87Å; Y970-E988 WeakPolarHBondContact O-CA 3.49Å; V986-E988 PolarHBondContact O-N 3.48Å |
| 989 | D | 90.4 | Very high | 90.7 | Very high | 110 Ų | 110 | 46.6 Ų | 46.6 | 59% | 0.588 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -27.6 | -179.6 | -58.1 | -64.8 | 0 | 0 | 0 | 113.2 | R967 E987 | R967-D989 IonicContact NH2-OD1 2.89Å; R967-D989 PolarHBondContact NH2-OD1 2.95Å; E987-D989 PolarHBondContact O-N 2.93Å |
| 990 | S | 89.6 | Confident | 90.4 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 39% | 0.392 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -15.9 | -171 | 80 | 0 | 0 | 0 | 0 | 114 | T952 E987 R992 | T952-S990 WeakPolarHBondContact CG2-O 3.47Å; E987-S990 WeakPolarHBondContact CB-OG 3.3Å; E987-S990 PolarHBondContact O-N 2.75Å; E987-S990 PolarHBondContact OE2-OG 3.31Å; S990-R992 PolarHBondContact O-N 2.66Å; S990-R992 VanDerWaalsContact OG-CB 3.26Å; S990-R992 WeakPolarHBondContact OG-CB 3.46Å; S990-R992 PolarHBondContact OG-N 3.42Å |
| 991 | G | 90.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | 66.9 | 11.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T952 V953 Y970 E987 V993 | T952-G991 WeakPolarHBondContact CA-O 3.29Å; V953-G991 WeakPolarHBondContact CG2-O 3.48Å; V953-G991 PolarHBondContact N-O 3.4Å; Y970-G991 VanDerWaalsContact CD2-CA 3.47Å; E987-G991 PolarHBondContact O-N 2.85Å; G991-V993 PolarHBondContact O-N 3.31Å | ||
| 992 | R | 91.4 | Very high | 89.8 | Confident | 106 Ų | 106 | 55.7 Ų | 55.7 | 40% | 0.4 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 118.7 | -178.2 | -166.2 | 170.4 | 69.2 | -166.4 | 3.8 | 110.5 | P949 V986 E987 S990 V994 | P949-R992 HydrophobicContact CB-CG 4.27Å; V986-R992 WeakPolarHBondContact CA-O 3.48Å; E987-R992 HydrophobicContact CB-CB 4.32Å; E987-R992 PolarHBondContact N-O 2.58Å; E987-R992 IonicContact OE1-CZ 2.79Å; E987-R992 IonicContact OE1-NE 3.27Å; E987-R992 PolarHBondContact OE1-NE 3.43Å; E987-R992 VanDerWaalsContact OE1-NE 3.09Å; E987-R992 IonicContact OE1-NH2 3.48Å; E987-R992 PolarHBondContact OE1-NH2 3.49Å; E987-R992 IonicContact OE2-CZ 2.81Å; E987-R992 IonicContact OE2-NE 3.83Å; E987-R992 PolarHBondContact OE2-NE 3.05Å; E987-R992 IonicContact OE2-NH2 3.66Å; E987-R992 PolarHBondContact OE2-NH2 3.31Å; S990-R992 PolarHBondContact O-N 2.66Å; S990-R992 VanDerWaalsContact OG-CB 3.26Å; S990-R992 WeakPolarHBondContact OG-CB 3.46Å; S990-R992 PolarHBondContact OG-N 3.42Å; R992-V994 HydrophobicContact CG-CG1 4.12Å |
| 993 | V | 92.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 123.5 | 176.2 | -175.8 | 0 | 0 | 0 | 0 | 109 | I950 T951 V953 D985 V986 G991 L1009 V1027 I1029 | I950-V993 WeakPolarHBondContact CB-O 3.42Å; I950-V993 HydrophobicContact CD1-CG1 4.49Å; I950-V993 PolarHBondContact N-O 3.49Å; T951-V993 HydrophobicContact CG2-CB 4.02Å; T951-V993 HydrophobicContact CG2-CG2 3.99Å; T951-V993 WeakPolarHBondContact O-CB 3.13Å; T951-V993 PolarHBondContact O-N 3.06Å; V953-V993 HydrophobicContact CG1-CG2 4.18Å; D985-V993 CarbonylContact O-C 3.02Å; D985-V993 WeakPolarHBondContact O-CA 3.24Å; V986-V993 HydrophobicContact CG2-CG2 4.23Å; G991-V993 PolarHBondContact O-N 3.31Å; V993-L1009 HydrophobicContact CG1-CD2 3.76Å; V993-V1027 HydrophobicContact CG2-CG2 4.21Å; V993-I1029 HydrophobicContact CG1-CD1 4.22Å |
| 994 | V | 91.6 | Very high | 88.8 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 9% | 0.085 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 161.3 | -172.7 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | T948 F984 D985 R992 | T948-V994 CarbonylContact O-C 3.57Å; T948-V994 VanDerWaalsContact O-CA 3.29Å; T948-V994 WeakPolarHBondContact O-CA 3.42Å; F984-V994 CarbonylContact C-O 3.53Å; F984-V994 WeakPolarHBondContact CA-O 3.36Å; D985-V994 HydrophobicContact CB-CG2 4.08Å; D985-V994 PolarHBondContact N-O 3.42Å; D985-V994 PolarHBondContact O-N 3.47Å; R992-V994 HydrophobicContact CG-CG1 4.12Å |
| 995 | T | 90 | Very high | 88.4 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 128.4 | 168.3 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | V940 A944 V945 G947 T948 I950 F984 L999 | V940-T995 HydrophobicContact CG2-CG2 3.94Å; A944-T995 HydrophobicContact CB-CG2 4.25Å; V945-T995 PolarHBondContact O-OG1 3.35Å; G947-T995 PolarHBondContact N-O 2.86Å; G947-T995 PolarHBondContact N-OG1 3.48Å; G947-T995 VanDerWaalsContact N-OG1 3.08Å; T948-T995 PolarHBondContact N-OG1 2.83Å; T948-T995 PolarHBondContact O-N 2.84Å; I950-T995 HydrophobicContact CD1-CG2 4.03Å; I950-T995 HydrophobicContact CG1-CG2 4.49Å; F984-T995 HydrophobicContact CD1-CG2 4.19Å; F984-T995 HydrophobicContact CE1-CG2 4.03Å; T995-L999 HydrophobicContact CG2-CD1 3.82Å; T995-L999 HydrophobicContact CG2-CD2 4.37Å; T995-L999 HydrophobicContact CG2-CG 3.98Å |
| 996 | R | 88.8 | Confident | 88.2 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 37% | 0.37 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -81.6 | -28 | 177.6 | -172.9 | 176.4 | -87.1 | -175.8 | -3.2 | 112.2 | K946 A981 I983 D985 | K946-R996 VanDerWaalsContact CD-O 3.24Å; K946-R996 WeakPolarHBondContact CD-O 3.45Å; K946-R996 VanDerWaalsContact CE-O 3.27Å; K946-R996 WeakPolarHBondContact CE-O 3.5Å; K946-R996 WeakPolarHBondContact CG-O 3.44Å; A981-R996 PolarHBondContact O-NH1 3.1Å; A981-R996 VanDerWaalsContact O-NH1 3.15Å; I983-R996 WeakPolarHBondContact O-CB 3.48Å; I983-R996 PolarHBondContact O-N 2.69Å; D985-R996 HydrophobicContact CB-CB 4.28Å; D985-R996 IonicContact OD1-CZ 3.87Å; D985-R996 IonicContact OD1-NH2 2.63Å; D985-R996 PolarHBondContact OD1-NH2 2.68Å; D985-R996 IonicContact OD2-CZ 2.73Å; D985-R996 VanDerWaalsContact OD2-CZ 3.26Å; D985-R996 IonicContact OD2-NE 3.48Å; D985-R996 PolarHBondContact OD2-NE 3.25Å; D985-R996 IonicContact OD2-NH2 3.52Å; D985-R996 PolarHBondContact OD2-NH2 3.47Å |
| 997 | V | 89 | Confident | 88 | Confident | 57 Ų | 57 | 63 Ų | 63 | 35% | 0.345 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -132.4 | 169.1 | -179.1 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | I983 L999 | I983-V997 HydrophobicContact CB-CG2 3.94Å; I983-V997 HydrophobicContact CG2-CG2 3.82Å; V997-L999 HydrophobicContact CG2-CD2 4.4Å; V997-L999 PolarHBondContact O-N 2.76Å |
| 998 | N | 85.2 | Confident | 88 | Confident | 113 Ų | 113 | 64.8 Ų | 64.8 | 60% | 0.604 | 33% | 0.33 | S | S | * | . | trans | -69.5 | 123.3 | 166.3 | -63.2 | -16.4 | 0 | 0 | 0 | 108.1 | A944 V945 K946 | A944-N998 WeakPolarHBondContact O-CA 3.37Å; V945-N998 WeakPolarHBondContact CA-OD1 3.02Å; K946-N998 WeakPolarHBondContact CB-OD1 3.19Å; K946-N998 PolarHBondContact N-OD1 3.35Å | ||
| 999 | L | 85.3 | Confident | 88 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | trans | -75.7 | 148 | -179.7 | -60 | -172.2 | 0 | 0 | 0 | 110.9 | V940 P942 D943 A944 I983 F984 T995 V997 E1001 | V940-L999 HydrophobicContact CB-CD1 4.45Å; V940-L999 HydrophobicContact CG1-CD1 3.84Å; V940-L999 HydrophobicContact CG2-CD1 3.71Å; P942-L999 CarbonylContact O-C 3.56Å; P942-L999 WeakPolarHBondContact O-CB 3.3Å; D943-L999 WeakPolarHBondContact CA-O 3.49Å; A944-L999 HydrophobicContact CB-CD1 4.01Å; A944-L999 HydrophobicContact CB-CG 4.28Å; A944-L999 PolarHBondContact O-N 2.97Å; I983-L999 HydrophobicContact CB-CD2 4.16Å; I983-L999 HydrophobicContact CD1-CD2 4.34Å; F984-L999 HydrophobicContact CE1-CD1 4.03Å; F984-L999 HydrophobicContact CE1-CD2 4.35Å; F984-L999 HydrophobicContact CZ-CD1 4.3Å; T995-L999 HydrophobicContact CG2-CD1 3.82Å; T995-L999 HydrophobicContact CG2-CD2 4.37Å; T995-L999 HydrophobicContact CG2-CG 3.98Å; V997-L999 HydrophobicContact CG2-CD2 4.4Å; V997-L999 PolarHBondContact O-N 2.76Å; L999-E1001 HydrophobicContact CB-CG 4.24Å; L999-E1001 HydrophobicContact CD2-CG 4.33Å | ||
| 1000 | N | 84.6 | Confident | 88.1 | Confident | 153 Ų | 153 | 55.4 Ų | 55.4 | 82% | 0.818 | 28% | 0.283 | S | S | * | . | trans | -144.4 | 57.6 | 166.4 | -178.3 | 53.5 | 0 | 0 | 0 | 107.6 | P942 | P942-N1000 WeakPolarHBondContact O-CA 3.05Å; P942-N1000 PolarHBondContact O-N 3.46Å | ||
| 1001 | E | 85.6 | Confident | 88.4 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -98.2 | 149.1 | -169.3 | -62.2 | -60.6 | 158.2 | 0 | 0 | 111.7 | P942 Y979 I983 L999 F1007 V1031 | P942-E1001 VanDerWaalsContact CB-O 3.23Å; P942-E1001 WeakPolarHBondContact CB-O 3.27Å; P942-E1001 PolarHBondContact O-N 2.79Å; P942-E1001 VanDerWaalsContact O-N 3.09Å; Y979-E1001 PolarHBondContact OH-OE1 2.97Å; Y979-E1001 PolarHBondContact OH-OE2 3.1Å; I983-E1001 HydrophobicContact CD1-CG 4.46Å; L999-E1001 HydrophobicContact CB-CG 4.24Å; L999-E1001 HydrophobicContact CD2-CG 4.33Å; E1001-F1007 HydrophobicContact CB-CE2 4.3Å; E1001-F1007 HydrophobicContact CB-CZ 4.37Å; E1001-F1007 HydrophobicContact CG-CE2 3.92Å; E1001-F1007 HydrophobicContact CG-CZ 3.93Å; E1001-F1007 WeakPolarHBondContact OE2-CZ 3.29Å; E1001-V1031 HydrophobicContact CB-CG1 4.19Å; E1001-V1031 HydrophobicContact CB-CG2 4.06Å |
| 1002 | E | 81.9 | Confident | 88.5 | Confident | 144 Ų | 144 | 53.2 Ų | 53.2 | 67% | 0.673 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 130.8 | 176.1 | -73.7 | -70.4 | 166.5 | 0 | 0 | 110.4 | T1005 | E1002-T1005 VanDerWaalsContact O-CB 3.24Å; E1002-T1005 WeakPolarHBondContact O-CB 3.3Å; E1002-T1005 PolarHBondContact O-N 3.04Å; E1002-T1005 PolarHBondContact O-OG1 3.04Å |
| 1003 | P | 80 | Confident | 88.6 | Confident | 33 Ų | 33 | 48.2 Ų | 48.2 | 21% | 0.214 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 149.7 | 179 | 18.5 | -27.1 | 0 | 0 | 0 | 113 | T1005 H1033 | P1003-T1005 PolarHBondContact O-N 3.3Å; P1003-H1033 HydrophobicContact CB-CB 4.19Å |
| 1004 | T | 79.4 | Confident | 88.7 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 2.4 | -172.9 | 72.4 | 0 | 0 | 0 | 0 | 115.8 | V1031 H1033 | T1004-V1031 VanDerWaalsContact CA-O 3.22Å; T1004-V1031 WeakPolarHBondContact CA-O 3.35Å; T1004-V1031 PolarHBondContact N-O 3.39Å; T1004-H1033 HydrophobicContact CG2-CB 4.43Å |
| 1005 | T | 86.6 | Confident | 88.7 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | trans | -63.8 | 135.8 | 172.5 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | E1002 P1003 F1007 V1031 | E1002-T1005 VanDerWaalsContact O-CB 3.24Å; E1002-T1005 WeakPolarHBondContact O-CB 3.3Å; E1002-T1005 PolarHBondContact O-N 3.04Å; E1002-T1005 PolarHBondContact O-OG1 3.04Å; P1003-T1005 PolarHBondContact O-N 3.3Å; T1005-F1007 HydrophobicContact CG2-CD1 4.24Å; T1005-F1007 HydrophobicContact CG2-CD2 4.48Å; T1005-F1007 HydrophobicContact CG2-CE1 3.73Å; T1005-F1007 HydrophobicContact CG2-CE2 4.02Å; T1005-F1007 HydrophobicContact CG2-CZ 3.61Å; T1005-V1031 PolarHBondContact O-N 3.28Å | ||
| 1006 | I | 89 | Confident | 88.5 | Confident | 91 Ų | 91 | 50.7 Ų | 50.7 | 47% | 0.467 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 113.8 | 176.1 | -59.2 | 172.5 | 0 | 0 | 0 | 109 | I1029 L1030 | I1006-I1029 CarbonylContact C-O 3.51Å; I1006-I1029 WeakPolarHBondContact CA-O 3.39Å; I1006-L1030 HydrophobicContact CD1-CD1 4.35Å; I1006-L1030 HydrophobicContact CG1-CD1 3.64Å |
| 1007 | F | 91.6 | Very high | 88.2 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 148.1 | 171.5 | -60.8 | -64.9 | 0 | 0 | 0 | 111.4 | Y979 P980 I983 F984 E1001 T1005 R1028 I1029 V1031 | Y979-F1007 AromaticContact CD1-CE1 3.95Å; Y979-F1007 HydrophobicContact CD1-CE1 3.95Å; Y979-F1007 AromaticContact CE1-CE1 3.8Å; Y979-F1007 HydrophobicContact CE1-CE1 3.8Å; Y979-F1007 HydrophobicContact CE1-CZ 4.1Å; P980-F1007 HydrophobicContact CB-CB 4.34Å; P980-F1007 HydrophobicContact CG-CB 4.22Å; P980-F1007 HydrophobicContact CG-CD1 3.9Å; P980-F1007 HydrophobicContact CG-CG 4.44Å; I983-F1007 HydrophobicContact CD1-CD2 4.38Å; I983-F1007 HydrophobicContact CD1-CE1 4.17Å; I983-F1007 HydrophobicContact CD1-CE2 3.93Å; I983-F1007 HydrophobicContact CD1-CZ 3.83Å; F984-F1007 HydrophobicContact CE2-CB 3.84Å; F984-F1007 AromaticContact CE2-CD2 3.43Å; F984-F1007 HydrophobicContact CE2-CD2 3.43Å; F984-F1007 VanDerWaalsContact CE2-CD2 3.43Å; F984-F1007 HydrophobicContact CE2-CE2 4.1Å; F984-F1007 AromaticContact CE2-CG 3.73Å; F984-F1007 HydrophobicContact CE2-CG 3.73Å; F984-F1007 AromaticContact CZ-CD2 3.67Å; F984-F1007 HydrophobicContact CZ-CD2 3.67Å; F984-F1007 HydrophobicContact CZ-CE2 4.13Å; F984-F1007 HydrophobicContact CZ-CG 4.43Å; E1001-F1007 HydrophobicContact CB-CE2 4.3Å; E1001-F1007 HydrophobicContact CB-CZ 4.37Å; E1001-F1007 HydrophobicContact CG-CE2 3.92Å; E1001-F1007 HydrophobicContact CG-CZ 3.93Å; E1001-F1007 WeakPolarHBondContact OE2-CZ 3.29Å; T1005-F1007 HydrophobicContact CG2-CD1 4.24Å; T1005-F1007 HydrophobicContact CG2-CD2 4.48Å; T1005-F1007 HydrophobicContact CG2-CE1 3.73Å; T1005-F1007 HydrophobicContact CG2-CE2 4.02Å; T1005-F1007 HydrophobicContact CG2-CZ 3.61Å; F1007-R1028 CarbonylContact O-C 3.57Å; F1007-R1028 WeakPolarHBondContact O-CA 3.21Å; F1007-I1029 HydrophobicContact CB-CB 4.32Å; F1007-I1029 PolarHBondContact N-O 3.24Å; F1007-I1029 PolarHBondContact O-N 3.46Å; F1007-V1031 HydrophobicContact CD2-CG2 3.86Å; F1007-V1031 HydrophobicContact CE2-CG2 3.45Å; F1007-V1031 VanDerWaalsContact CE2-CG2 3.45Å; F1007-V1031 HydrophobicContact CZ-CG2 4.48Å |
| 1008 | K | 91.4 | Very high | 87.6 | Confident | 103 Ų | 103 | 51.7 Ų | 51.7 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.3 | 168 | -66.9 | -179 | -178.9 | 177.7 | 0 | 107.4 | F977 P980 T1026 R1028 | F977-K1008 WeakPolarHBondContact CB-O 3.42Å; F977-K1008 HydrophobicContact CD2-CB 4.23Å; F977-K1008 HydrophobicContact CE1-CB 4.38Å; F977-K1008 HydrophobicContact CE2-CB 4.05Å; F977-K1008 HydrophobicContact CG-CB 4.48Å; F977-K1008 WeakPolarHBondContact CG-O 3.09Å; F977-K1008 HydrophobicContact CZ-CB 4.13Å; F977-K1008 HydrophobicContact CZ-CD 4.12Å; P980-K1008 WeakPolarHBondContact CB-O 3.47Å; K1008-T1026 HydrophobicContact CB-CG2 4.32Å; K1008-R1028 HydrophobicContact CG-CG 4.47Å |
| 1009 | L | 92.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.4 | 175.6 | -173.4 | 74.2 | 0 | 0 | 0 | 107.5 | V972 P980 A981 F984 V993 V1011 T1026 V1027 I1029 | V972-L1009 HydrophobicContact CG1-CD1 3.5Å; V972-L1009 VanDerWaalsContact CG1-CD1 3.5Å; V972-L1009 HydrophobicContact CG1-CG 4.2Å; V972-L1009 HydrophobicContact CG2-CD1 4.24Å; V972-L1009 HydrophobicContact CG2-CD2 4.24Å; V972-L1009 HydrophobicContact CG2-CG 4.43Å; P980-L1009 HydrophobicContact CB-CD1 4.28Å; A981-L1009 HydrophobicContact CB-CD1 4.45Å; F984-L1009 HydrophobicContact CB-CD1 4.18Å; F984-L1009 HydrophobicContact CB-CD2 3.9Å; V993-L1009 HydrophobicContact CG1-CD2 3.76Å; L1009-V1011 HydrophobicContact CD2-CG2 4.21Å; L1009-V1011 HydrophobicContact CG-CG2 4.43Å; L1009-T1026 CarbonylContact O-C 3.56Å; L1009-T1026 WeakPolarHBondContact O-CA 3.48Å; L1009-V1027 HydrophobicContact CB-CB 4.27Å; L1009-V1027 PolarHBondContact N-O 3.06Å; L1009-V1027 PolarHBondContact O-N 3.16Å; L1009-I1029 HydrophobicContact CB-CD1 4.4Å; L1009-I1029 HydrophobicContact CD2-CD1 4.42Å |
| 1010 | V | 94.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 123.7 | 174.2 | 177 | 0 | 0 | 0 | 0 | 107.6 | D973 Q976 F977 | D973-V1010 HydrophobicContact CB-CB 4.09Å; D973-V1010 HydrophobicContact CB-CG1 3.95Å; D973-V1010 PolarHBondContact N-O 3.3Å; Q976-V1010 HydrophobicContact CB-CG2 4.4Å; F977-V1010 HydrophobicContact CD2-CG2 3.9Å; F977-V1010 HydrophobicContact CE2-CG2 3.91Å |
| 1011 | V | 94.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.1 | 176.9 | -179.5 | 0 | 0 | 0 | 0 | 108 | F931 V953 Y970 R971 V986 L1009 S1024 A1025 V1027 | F931-V1011 HydrophobicContact CZ-CG1 4.22Å; V953-V1011 HydrophobicContact CG2-CG1 3.96Å; Y970-V1011 HydrophobicContact CD1-CG1 4.29Å; R971-V1011 WeakPolarHBondContact O-CA 3.06Å; V986-V1011 HydrophobicContact CB-CG1 4.44Å; V986-V1011 HydrophobicContact CG1-CG1 4.11Å; V986-V1011 HydrophobicContact CG2-CG1 4.26Å; L1009-V1011 HydrophobicContact CD2-CG2 4.21Å; L1009-V1011 HydrophobicContact CG-CG2 4.43Å; V1011-S1024 CarbonylContact O-C 3.58Å; V1011-S1024 VanDerWaalsContact O-CA 3.25Å; V1011-S1024 WeakPolarHBondContact O-CA 3.37Å; V1011-A1025 PolarHBondContact N-O 3.13Å; V1011-A1025 PolarHBondContact O-N 3.02Å; V1011-V1027 HydrophobicContact CG2-CG2 3.74Å |
| 1012 | V | 93.9 | Very high | 88 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.8 | 177.4 | -179.4 | 0 | 0 | 0 | 0 | 108 | Y970 R971 D973 S1023 | Y970-V1012 WeakPolarHBondContact CA-O 3.38Å; R971-V1012 HydrophobicContact CG-CB 4.05Å; R971-V1012 PolarHBondContact N-O 3.38Å; R971-V1012 PolarHBondContact O-N 3.13Å; D973-V1012 HydrophobicContact CB-CG2 3.86Å; V1012-S1023 CarbonylContact C-O 3.49Å; V1012-S1023 VanDerWaalsContact CA-O 3.25Å; V1012-S1023 WeakPolarHBondContact CA-O 3.41Å; V1012-S1023 WeakPolarHBondContact CG1-O 3.34Å |
| 1013 | A | 94.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | P929 F931 A955 V968 R969 Y970 S1022 S1023 | P929-A1013 HydrophobicContact CB-CB 3.95Å; F931-A1013 HydrophobicContact CD2-CB 4.29Å; F931-A1013 HydrophobicContact CE1-CB 4.15Å; F931-A1013 HydrophobicContact CE2-CB 3.5Å; F931-A1013 VanDerWaalsContact CE2-CB 3.5Å; F931-A1013 HydrophobicContact CZ-CB 3.42Å; F931-A1013 VanDerWaalsContact CZ-CB 3.42Å; A955-A1013 HydrophobicContact CB-CB 3.7Å; V968-A1013 HydrophobicContact CG1-CB 3.93Å; R969-A1013 CarbonylContact O-C 3.57Å; R969-A1013 WeakPolarHBondContact O-CA 3.28Å; Y970-A1013 HydrophobicContact CD1-CB 4.02Å; Y970-A1013 HydrophobicContact CE1-CB 3.95Å; A1013-S1022 CarbonylContact O-C 3.2Å; A1013-S1022 WeakPolarHBondContact O-CA 2.97Å; A1013-S1022 VanDerWaalsContact O-CB 3.3Å; A1013-S1022 WeakPolarHBondContact O-CB 3.19Å; A1013-S1023 PolarHBondContact N-O 3.41Å; A1013-S1023 PolarHBondContact O-N 2.81Å |
| 1014 | F | 93.7 | Very high | 89.2 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144.8 | 179.6 | 62.1 | -80.9 | 0 | 0 | 0 | 109.5 | R969 R971 V1020 M1021 | R969-F1014 HydrophobicContact CB-CE1 4.02Å; R969-F1014 HydrophobicContact CB-CE2 3.95Å; R969-F1014 HydrophobicContact CB-CZ 3.67Å; R969-F1014 PolarHBondContact N-O 2.76Å; R969-F1014 WeakPolarHBondContact O-CD1 3.44Å; R969-F1014 PolarHBondContact O-N 2.65Å; R971-F1014 HydrophobicContact CB-CE1 3.84Å; R971-F1014 HydrophobicContact CG-CD1 3.88Å; R971-F1014 HydrophobicContact CG-CE1 3.53Å; F1014-V1020 HydrophobicContact CB-CG1 4.11Å; F1014-V1020 HydrophobicContact CD2-CG1 4.39Å; F1014-M1021 VanDerWaalsContact CA-O 3.3Å; F1014-M1021 WeakPolarHBondContact CA-O 3.27Å; F1014-M1021 WeakPolarHBondContact CB-O 3.27Å |
| 1015 | D | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -84 | 173.7 | 173.4 | 52.3 | 70.7 | 0 | 0 | 0 | 111.9 | N925 P929 A965 R967 G1017 V1020 M1021 | N925-D1015 PolarHBondContact ND2-OD1 3.02Å; P929-D1015 VanDerWaalsContact CD-OD2 3.24Å; P929-D1015 WeakPolarHBondContact CD-OD2 3.33Å; P929-D1015 HydrophobicContact CG-CB 4.1Å; A965-D1015 WeakPolarHBondContact O-CB 3.12Å; R967-D1015 WeakPolarHBondContact O-CA 3.21Å; D1015-G1017 PolarHBondContact OD1-N 3.25Å; D1015-V1020 WeakPolarHBondContact O-CG1 3.47Å; D1015-V1020 WeakPolarHBondContact OD1-CA 2.92Å; D1015-M1021 PolarHBondContact N-O 2.93Å; D1015-M1021 PolarHBondContact OD1-N 3.05Å; D1015-M1021 WeakPolarHBondContact OD2-CA 3.05Å; D1015-M1021 WeakPolarHBondContact OD2-CB 3.28Å; D1015-M1021 PolarHBondContact OD2-N 2.83Å | ||
| 1016 | D | 86.7 | Confident | 90.1 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 24% | 0.235 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -100 | 19 | 171.7 | -68.5 | -15.6 | 0 | 0 | 0 | 111.8 | P964 R967 R969 | P964-D1016 HydrophobicContact CB-CB 3.92Å; P964-D1016 WeakPolarHBondContact CB-O 3.14Å; P964-D1016 CarbonylContact O-C 3.52Å; P964-D1016 WeakPolarHBondContact O-CA 3.23Å; P964-D1016 WeakPolarHBondContact O-CB 3.32Å; P964-D1016 PolarHBondContact O-N 3.3Å; R967-D1016 IonicContact NH1-OD2 3.35Å; R969-D1016 IonicContact CZ-OD1 3.1Å; R969-D1016 IonicContact CZ-OD2 2.75Å; R969-D1016 IonicContact NE-OD1 3.19Å; R969-D1016 PolarHBondContact NE-OD1 3.14Å; R969-D1016 IonicContact NE-OD2 3.61Å; R969-D1016 PolarHBondContact NE-OD2 3.4Å; R969-D1016 IonicContact NH2-OD1 2.61Å; R969-D1016 PolarHBondContact NH2-OD1 3.42Å; R969-D1016 IonicContact NH2-OD2 2.87Å |
| 1017 | G | 82.2 | Confident | 90.2 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 6% | 0.062 | 23% | 0.228 | C | C | . | . | trans | -76.3 | 168.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1015 P1019 V1020 | D1015-G1017 PolarHBondContact OD1-N 3.25Å; G1017-P1019 CarbonylContact O-C 3.54Å; G1017-V1020 VanDerWaalsContact O-CA 3.26Å; G1017-V1020 WeakPolarHBondContact O-CA 2.92Å; G1017-V1020 WeakPolarHBondContact O-CG2 3.42Å; G1017-V1020 PolarHBondContact O-N 3.35Å | ||
| 1018 | E | 76.5 | Confident | 90.3 | Very high | 171 Ų | 171 | 44.6 Ų | 44.6 | 80% | 0.799 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -121.7 | 114.4 | 173.3 | -75.8 | -168.6 | 172.4 | 0 | 0 | 110.4 | ||
| 1019 | P | 83.1 | Confident | 90.2 | Very high | 98 Ų | 98 | 39.7 Ų | 39.7 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | S | Bend | cis | -72.7 | 146 | -3 | 32.2 | -34.4 | 0 | 0 | 0 | 112 | N925 G1017 M1021 | N925-P1019 PolarHBondContact ND2-O 3.36Å; G1017-P1019 CarbonylContact O-C 3.54Å; P1019-M1021 PolarHBondContact O-N 3.26Å |
| 1020 | V | 86.1 | Confident | 89.9 | Confident | 90 Ų | 90 | 42.1 Ų | 42.1 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 124 | 177.2 | 174 | 0 | 0 | 0 | 0 | 110.2 | F1014 D1015 G1017 | F1014-V1020 HydrophobicContact CB-CG1 4.11Å; F1014-V1020 HydrophobicContact CD2-CG1 4.39Å; D1015-V1020 WeakPolarHBondContact O-CG1 3.47Å; D1015-V1020 WeakPolarHBondContact OD1-CA 2.92Å; G1017-V1020 VanDerWaalsContact O-CA 3.26Å; G1017-V1020 WeakPolarHBondContact O-CA 2.92Å; G1017-V1020 WeakPolarHBondContact O-CG2 3.42Å; G1017-V1020 PolarHBondContact O-N 3.35Å |
| 1021 | M | 88.1 | Confident | 89.4 | Confident | 54 Ų | 54 | 42 Ų | 42 | 27% | 0.266 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -99.3 | 156.8 | 172 | -56.6 | -179.5 | 76 | 0 | 0 | 110.2 | P928 F1014 D1015 P1019 | P928-M1021 HydrophobicContact CB-CB 3.91Å; P928-M1021 HydrophobicContact CB-CE 4Å; P928-M1021 HydrophobicContact CG-CE 4.03Å; F1014-M1021 VanDerWaalsContact CA-O 3.3Å; F1014-M1021 WeakPolarHBondContact CA-O 3.27Å; F1014-M1021 WeakPolarHBondContact CB-O 3.27Å; D1015-M1021 PolarHBondContact N-O 2.93Å; D1015-M1021 PolarHBondContact OD1-N 3.05Å; D1015-M1021 WeakPolarHBondContact OD2-CA 3.05Å; D1015-M1021 WeakPolarHBondContact OD2-CB 3.28Å; D1015-M1021 PolarHBondContact OD2-N 2.83Å; P1019-M1021 PolarHBondContact O-N 3.26Å |
| 1022 | S | 92 | Very high | 88.6 | Confident | 66 Ų | 66 | 42.5 Ų | 42.5 | 46% | 0.462 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 151.3 | -177.1 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | A1013 | A1013-S1022 CarbonylContact O-C 3.2Å; A1013-S1022 WeakPolarHBondContact O-CA 2.97Å; A1013-S1022 VanDerWaalsContact O-CB 3.3Å; A1013-S1022 WeakPolarHBondContact O-CB 3.19Å |
| 1023 | S | 92.8 | Very high | 87.7 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 167.9 | 170.6 | 79.3 | 0 | 0 | 0 | 0 | 110.9 | P929 F931 V1012 A1013 | P929-S1023 WeakPolarHBondContact O-CB 3.15Å; P929-S1023 PolarHBondContact O-OG 2.73Å; F931-S1023 VanDerWaalsContact CD2-OG 3.31Å; F931-S1023 WeakPolarHBondContact CD2-OG 3.2Å; V1012-S1023 CarbonylContact C-O 3.49Å; V1012-S1023 VanDerWaalsContact CA-O 3.25Å; V1012-S1023 WeakPolarHBondContact CA-O 3.41Å; V1012-S1023 WeakPolarHBondContact CG1-O 3.34Å; A1013-S1023 PolarHBondContact N-O 3.41Å; A1013-S1023 PolarHBondContact O-N 2.81Å |
| 1024 | S | 92.6 | Very high | 86.5 | Confident | 76 Ų | 76 | 48.2 Ų | 48.2 | 53% | 0.531 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.9 | -179.5 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | V1011 | V1011-S1024 CarbonylContact O-C 3.58Å; V1011-S1024 VanDerWaalsContact O-CA 3.25Å; V1011-S1024 WeakPolarHBondContact O-CA 3.37Å |
| 1025 | A | 92.4 | Very high | 85.3 | Confident | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 153 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | F931 Y936 V1011 | F931-A1025 HydrophobicContact CB-CB 4.06Å; F931-A1025 HydrophobicContact CD1-CB 3.75Å; F931-A1025 HydrophobicContact CD2-CB 3.6Å; F931-A1025 HydrophobicContact CE1-CB 4.03Å; F931-A1025 HydrophobicContact CE2-CB 3.88Å; F931-A1025 HydrophobicContact CG-CB 3.52Å; F931-A1025 HydrophobicContact CZ-CB 4.08Å; Y936-A1025 HydrophobicContact CD2-CB 4.27Å; Y936-A1025 HydrophobicContact CE2-CB 4.06Å; V1011-A1025 PolarHBondContact N-O 3.13Å; V1011-A1025 PolarHBondContact O-N 3.02Å |
| 1026 | T | 93.1 | Very high | 84.3 | Confident | 45 Ų | 45 | 51.1 Ų | 51.1 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 128.2 | 179.5 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | R934 I935 Y936 K1008 L1009 R1028 | R934-T1026 PolarHBondContact O-N 2.82Å; I935-T1026 CarbonylContact C-O 3.45Å; I935-T1026 VanDerWaalsContact CA-O 3.28Å; I935-T1026 WeakPolarHBondContact CA-O 3.29Å; Y936-T1026 PolarHBondContact N-O 3.28Å; K1008-T1026 HydrophobicContact CB-CG2 4.32Å; L1009-T1026 CarbonylContact O-C 3.56Å; L1009-T1026 WeakPolarHBondContact O-CA 3.48Å; T1026-R1028 HydrophobicContact CG2-CG 4.48Å |
| 1027 | V | 92.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 118.4 | 171 | -170.3 | 0 | 0 | 0 | 0 | 109.1 | Y936 T951 V953 V993 L1009 V1011 I1029 | Y936-V1027 CarbonylContact O-C 3.54Å; Y936-V1027 WeakPolarHBondContact O-CA 3.37Å; T951-V1027 HydrophobicContact CG2-CG1 3.56Å; V953-V1027 HydrophobicContact CG1-CG2 3.71Å; V993-V1027 HydrophobicContact CG2-CG2 4.21Å; L1009-V1027 HydrophobicContact CB-CB 4.27Å; L1009-V1027 PolarHBondContact N-O 3.06Å; L1009-V1027 PolarHBondContact O-N 3.16Å; V1011-V1027 HydrophobicContact CG2-CG2 3.74Å; V1027-I1029 HydrophobicContact CG1-CD1 4.41Å; V1027-I1029 HydrophobicContact CG1-CG1 3.92Å |
| 1028 | R | 91.8 | Very high | 83.1 | Confident | 108 Ų | 108 | 49.8 Ų | 49.8 | 41% | 0.408 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 111.9 | 175.3 | -69.2 | -177.3 | 64.6 | 178.5 | -1.7 | 109.7 | I935 Y936 K937 G938 F1007 K1008 T1026 | I935-R1028 HydrophobicContact CG2-CG 4.13Å; Y936-R1028 PolarHBondContact O-N 3.49Å; K937-R1028 CarbonylContact C-O 3.59Å; K937-R1028 WeakPolarHBondContact CA-O 3.26Å; G938-R1028 PolarHBondContact N-O 3.38Å; F1007-R1028 CarbonylContact O-C 3.57Å; F1007-R1028 WeakPolarHBondContact O-CA 3.21Å; K1008-R1028 HydrophobicContact CG-CG 4.47Å; T1026-R1028 HydrophobicContact CG2-CG 4.48Å |
| 1029 | I | 90.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 116.9 | -175.6 | -54.7 | 170.2 | 0 | 0 | 0 | 108.8 | G938 V940 I950 F984 V993 I1006 F1007 L1009 V1027 | G938-I1029 CarbonylContact O-C 3.55Å; G938-I1029 WeakPolarHBondContact O-CA 3.24Å; V940-I1029 HydrophobicContact CB-CG2 4.25Å; V940-I1029 HydrophobicContact CG1-CG2 3.68Å; I950-I1029 HydrophobicContact CD1-CD1 4.03Å; I950-I1029 HydrophobicContact CD1-CG2 4.25Å; I950-I1029 HydrophobicContact CG2-CD1 4.4Å; I950-I1029 HydrophobicContact CG2-CG1 4.12Å; I950-I1029 HydrophobicContact CG2-CG2 3.93Å; F984-I1029 HydrophobicContact CB-CD1 4.37Å; F984-I1029 HydrophobicContact CD1-CD1 3.95Å; F984-I1029 HydrophobicContact CD2-CD1 3.66Å; F984-I1029 HydrophobicContact CE1-CD1 4.13Å; F984-I1029 HydrophobicContact CE1-CG2 4.25Å; F984-I1029 HydrophobicContact CE2-CD1 3.88Å; F984-I1029 HydrophobicContact CE2-CG2 4.48Å; F984-I1029 HydrophobicContact CG-CD1 3.71Å; F984-I1029 HydrophobicContact CZ-CD1 4.11Å; F984-I1029 HydrophobicContact CZ-CG2 3.95Å; V993-I1029 HydrophobicContact CG1-CD1 4.22Å; I1006-I1029 CarbonylContact C-O 3.51Å; I1006-I1029 WeakPolarHBondContact CA-O 3.39Å; F1007-I1029 HydrophobicContact CB-CB 4.32Å; F1007-I1029 PolarHBondContact N-O 3.24Å; F1007-I1029 PolarHBondContact O-N 3.46Å; L1009-I1029 HydrophobicContact CB-CD1 4.4Å; L1009-I1029 HydrophobicContact CD2-CD1 4.42Å; V1027-I1029 HydrophobicContact CG1-CD1 4.41Å; V1027-I1029 HydrophobicContact CG1-CG1 3.92Å |
| 1030 | L | 85.4 | Confident | 83 | Confident | 52 Ų | 52 | 45.2 Ų | 45.2 | 27% | 0.272 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123.9 | 174.2 | 175.5 | 67.5 | 0 | 0 | 0 | 109.8 | G938 M939 V940 I1006 L1032 | G938-L1030 PolarHBondContact O-N 2.67Å; M939-L1030 WeakPolarHBondContact CA-O 3.47Å; M939-L1030 HydrophobicContact CE-CD2 4.4Å; M939-L1030 HydrophobicContact CG-CB 4.42Å; V940-L1030 PolarHBondContact N-O 3.44Å; I1006-L1030 HydrophobicContact CD1-CD1 4.35Å; I1006-L1030 HydrophobicContact CG1-CD1 3.64Å; L1030-L1032 HydrophobicContact CD2-CD2 4.16Å; L1030-L1032 PolarHBondContact O-N 3.39Å |
| 1031 | V | 84.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 116.3 | 167.5 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | V940 P942 E1001 T1004 T1005 F1007 | V940-V1031 HydrophobicContact CG1-CG2 4.19Å; V940-V1031 WeakPolarHBondContact O-CA 3.23Å; P942-V1031 HydrophobicContact CB-CG1 3.65Å; P942-V1031 HydrophobicContact CG-CG1 4.5Å; E1001-V1031 HydrophobicContact CB-CG1 4.19Å; E1001-V1031 HydrophobicContact CB-CG2 4.06Å; T1004-V1031 VanDerWaalsContact CA-O 3.22Å; T1004-V1031 WeakPolarHBondContact CA-O 3.35Å; T1004-V1031 PolarHBondContact N-O 3.39Å; T1005-V1031 PolarHBondContact O-N 3.28Å; F1007-V1031 HydrophobicContact CD2-CG2 3.86Å; F1007-V1031 HydrophobicContact CE2-CG2 3.45Å; F1007-V1031 VanDerWaalsContact CE2-CG2 3.45Å; F1007-V1031 HydrophobicContact CZ-CG2 4.48Å |
| 1032 | L | 77.5 | Confident | 82.1 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 151.6 | -177.6 | -68.2 | 178 | 0 | 0 | 0 | 111.8 | M939 V940 P942 L1030 I1037 V1126 | M939-L1032 HydrophobicContact CB-CD1 4.25Å; M939-L1032 HydrophobicContact CB-CD2 4.35Å; M939-L1032 HydrophobicContact CB-CG 4.22Å; M939-L1032 HydrophobicContact CG-CD2 4.24Å; M939-L1032 HydrophobicContact SD-CD2 4.07Å; V940-L1032 PolarHBondContact O-N 3.15Å; P942-L1032 WeakPolarHBondContact CD-O 3.42Å; L1030-L1032 HydrophobicContact CD2-CD2 4.16Å; L1030-L1032 PolarHBondContact O-N 3.39Å; L1032-I1037 HydrophobicContact CB-CD1 4.34Å; L1032-I1037 HydrophobicContact CB-CG1 4.13Å; L1032-I1037 HydrophobicContact CD1-CG1 4.17Å; L1032-V1126 HydrophobicContact CD1-CB 3.74Å; L1032-V1126 HydrophobicContact CD1-CG1 4.24Å; L1032-V1126 HydrophobicContact CD1-CG2 3.55Å |
| 1033 | H | 74.7 | Confident | 81 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 37% | 0.366 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 137.1 | 168.6 | -167.9 | 73.9 | 0 | 0 | 0 | 110 | P1003 T1004 G1035 E1036 | P1003-H1033 HydrophobicContact CB-CB 4.19Å; T1004-H1033 HydrophobicContact CG2-CB 4.43Å; H1033-G1035 PolarHBondContact CD2-N 3.46Å; H1033-G1035 PolarHBondContact O-N 2.71Å; H1033-E1036 HydrophobicContact CB-CG 4.01Å; H1033-E1036 PolarHBondContact N-OE2 2.93Å; H1033-E1036 WeakPolarHBondContact O-CB 3.16Å; H1033-E1036 PolarHBondContact O-N 3.32Å |
| 1034 | P | 69.3 | Low | 80.1 | Confident | 51 Ų | 51 | 55.6 Ų | 55.6 | 33% | 0.331 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -28.2 | -179.6 | -26.2 | 30.2 | 0 | 0 | 0 | 113.9 | P942 | P942-P1034 HydrophobicContact CG-CG 3.86Š|
| 1035 | G | 68.9 | Low | 79.6 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -17.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1033 I1068 | H1033-G1035 PolarHBondContact CD2-N 3.46Å; H1033-G1035 PolarHBondContact O-N 2.71Å; G1035-I1068 WeakPolarHBondContact O-CG1 3.26Å; G1035-I1068 PolarHBondContact O-N 2.84Å |
| 1036 | E | 68.8 | Low | 79 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -14 | 175.4 | -67.6 | 171.8 | 171.3 | 0 | 0 | 112.3 | H1033 P1038 Q1070 | H1033-E1036 HydrophobicContact CB-CG 4.01Å; H1033-E1036 PolarHBondContact N-OE2 2.93Å; H1033-E1036 WeakPolarHBondContact O-CB 3.16Å; H1033-E1036 PolarHBondContact O-N 3.32Å; E1036-P1038 WeakPolarHBondContact O-CD 3.45Å; E1036-Q1070 PolarHBondContact O-OE1 3.34Å |
| 1037 | I | 68.9 | Low | 78.5 | Confident | 20 Ų | 20 | 60 Ų | 60 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -85.3 | 120.1 | 177.7 | -56.6 | 170.9 | 0 | 0 | 0 | 108 | A941 L1032 R1039 V1126 | A941-I1037 HydrophobicContact CB-CD1 3.61Å; L1032-I1037 HydrophobicContact CB-CD1 4.34Å; L1032-I1037 HydrophobicContact CB-CG1 4.13Å; L1032-I1037 HydrophobicContact CD1-CG1 4.17Å; I1037-R1039 PolarHBondContact O-N 3.05Å; I1037-V1126 HydrophobicContact CD1-CG1 4.46Å |
| 1038 | P | 76.4 | Confident | 77.9 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.019 | 31% | 0.311 | C | S | . | . | trans | -53.8 | 123.7 | 179.4 | -26.2 | 34.4 | 0 | 0 | 0 | 111.6 | E1036 A1065 A1067 I1072 A1114 S1116 S1128 | E1036-P1038 WeakPolarHBondContact O-CD 3.45Å; P1038-A1065 HydrophobicContact CB-CB 4.34Å; P1038-A1067 HydrophobicContact CB-CB 4.48Å; P1038-A1067 HydrophobicContact CG-CB 4.24Å; P1038-I1072 HydrophobicContact CB-CD1 4.2Å; P1038-I1072 HydrophobicContact CB-CG1 4.35Å; P1038-I1072 HydrophobicContact CG-CG1 4.4Å; P1038-A1114 HydrophobicContact CB-CB 3.94Å; P1038-S1116 VanDerWaalsContact CG-OG 3.32Å; P1038-S1116 WeakPolarHBondContact CG-OG 2.99Å; P1038-S1128 WeakPolarHBondContact O-CB 3.17Å; P1038-S1128 PolarHBondContact O-OG 3.37Å | ||
| 1039 | R | 75.2 | Confident | 77.5 | Confident | 146 Ų | 146 | 63.5 Ų | 63.5 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.6 | 172.1 | -74.7 | -174.7 | -176.6 | -107.3 | -1.9 | 109.7 | I1037 A1065 A1066 | I1037-R1039 PolarHBondContact O-N 3.05Å; R1039-A1065 CarbonylContact O-C 3.57Å; R1039-A1065 WeakPolarHBondContact O-CA 3.29Å; R1039-A1065 WeakPolarHBondContact O-CB 3.45Å; R1039-A1066 PolarHBondContact N-O 3.5Å; R1039-A1066 PolarHBondContact O-N 2.88Å |
| 1040 | F | 81 | Confident | 77.2 | Confident | 27 Ų | 27 | 64 Ų | 64 | 12% | 0.118 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 141.8 | 170.4 | -74.6 | -78.8 | 0 | 0 | 0 | 110.2 | Q1042 Y1045 I1063 A1065 Y1074 A1114 S1130 | F1040-Q1042 WeakPolarHBondContact CB-O 3.14Å; F1040-Q1042 PolarHBondContact O-N 2.94Å; F1040-Y1045 HydrophobicContact CB-CE2 4.29Å; F1040-Y1045 HydrophobicContact CD1-CE2 4.09Å; F1040-I1063 HydrophobicContact CE1-CB 4.43Å; F1040-I1063 HydrophobicContact CE1-CD1 3.84Å; F1040-I1063 HydrophobicContact CE1-CG1 4.34Å; F1040-A1065 HydrophobicContact CD1-CB 3.89Å; F1040-A1065 HydrophobicContact CE1-CB 4.14Å; F1040-A1065 HydrophobicContact CG-CB 4.16Å; F1040-Y1074 AromaticContact CE1-CD1 3.95Å; F1040-Y1074 HydrophobicContact CE1-CD1 3.95Å; F1040-Y1074 AromaticContact CE1-CE1 3.89Å; F1040-Y1074 HydrophobicContact CE1-CE1 3.89Å; F1040-Y1074 HydrophobicContact CZ-CD1 4.35Å; F1040-A1114 HydrophobicContact CE1-CB 4.02Å; F1040-A1114 HydrophobicContact CE2-CB 3.71Å; F1040-A1114 HydrophobicContact CZ-CB 3.42Å; F1040-A1114 VanDerWaalsContact CZ-CB 3.42Å; F1040-S1130 VanDerWaalsContact CG-CB 3.46Å |
| 1041 | T | 79.4 | Confident | 77 | Confident | 87 Ų | 87 | 63.3 Ų | 63.3 | 53% | 0.534 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -69.5 | -18.7 | 178.8 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | Y1045 S1064 | T1041-Y1045 PolarHBondContact N-OH 2.71Å; T1041-Y1045 VanDerWaalsContact N-OH 3.15Å; T1041-Y1045 PolarHBondContact OG1-OH 2.9Å; T1041-S1064 WeakPolarHBondContact CG2-OG 3.5Å; T1041-S1064 PolarHBondContact N-O 2.9Å; T1041-S1064 PolarHBondContact OG1-O 2.98Å; T1041-S1064 VanDerWaalsContact OG1-O 3.08Å; T1041-S1064 PolarHBondContact OG1-OG 2.79Å |
| 1042 | Q | 75.9 | Confident | 76.9 | Confident | 102 Ų | 102 | 64.9 Ų | 64.9 | 48% | 0.477 | 33% | 0.327 | S | S | . | . | trans | -135.8 | 145.9 | 176 | -55.1 | -179.5 | -4.4 | 0 | 0 | 109.8 | F1040 E1044 Y1045 S1130 | F1040-Q1042 WeakPolarHBondContact CB-O 3.14Å; F1040-Q1042 PolarHBondContact O-N 2.94Å; Q1042-E1044 PolarHBondContact OE1-O 2.69Å; Q1042-Y1045 HydrophobicContact CB-CD1 4.26Å; Q1042-Y1045 HydrophobicContact CB-CD2 4.22Å; Q1042-Y1045 HydrophobicContact CB-CE1 3.89Å; Q1042-Y1045 HydrophobicContact CB-CE2 3.86Å; Q1042-Y1045 HydrophobicContact CB-CG 4.4Å; Q1042-Y1045 HydrophobicContact CG-CD1 4.33Å; Q1042-Y1045 HydrophobicContact CG-CE1 3.84Å; Q1042-Y1045 PolarHBondContact N-OH 3.42Å; Q1042-Y1045 WeakPolarHBondContact O-CE2 3.15Å; Q1042-Y1045 VanDerWaalsContact OE1-CD1 3.25Å; Q1042-S1130 PolarHBondContact O-OG 3.25Å | ||
| 1043 | E | 68.7 | Low | 77.1 | Confident | 180 Ų | 180 | 71 Ų | 71 | 84% | 0.841 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -70.7 | -41.8 | 172.5 | -68.8 | -171.7 | 164 | 0 | 0 | 111.2 | S1130 L1131 | E1043-S1130 PolarHBondContact O-OG 2.74Å; E1043-L1131 PolarHBondContact O-N 3.36Å |
| 1044 | E | 75 | Confident | 77.4 | Confident | 92 Ų | 92 | 67.9 Ų | 67.9 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.4 | 174.8 | -70.8 | -173 | -178.7 | 0 | 0 | 111.7 | Q1042 R1046 L1131 | Q1042-E1044 PolarHBondContact OE1-O 2.69Å; E1044-R1046 IonicContact OE2-CZ 3.43Å; E1044-R1046 IonicContact OE2-NE 3.72Å; E1044-R1046 PolarHBondContact OE2-NE 2.83Å; E1044-R1046 IonicContact OE2-NH2 3.55Å; E1044-R1046 PolarHBondContact OE2-NH2 3.35Å; E1044-L1131 VanDerWaalsContact CA-O 3.24Å; E1044-L1131 WeakPolarHBondContact CA-O 3.32Å; E1044-L1131 HydrophobicContact CG-CB 4.5Å |
| 1045 | Y | 81 | Confident | 78.1 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 6% | 0.059 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.6 | 172 | -65.9 | -97 | 0 | 0 | 0 | 110.6 | F1040 T1041 Q1042 P1047 I1063 S1064 L1131 S1132 V1133 | F1040-Y1045 HydrophobicContact CB-CE2 4.29Å; F1040-Y1045 HydrophobicContact CD1-CE2 4.09Å; T1041-Y1045 PolarHBondContact N-OH 2.71Å; T1041-Y1045 VanDerWaalsContact N-OH 3.15Å; T1041-Y1045 PolarHBondContact OG1-OH 2.9Å; Q1042-Y1045 HydrophobicContact CB-CD1 4.26Å; Q1042-Y1045 HydrophobicContact CB-CD2 4.22Å; Q1042-Y1045 HydrophobicContact CB-CE1 3.89Å; Q1042-Y1045 HydrophobicContact CB-CE2 3.86Å; Q1042-Y1045 HydrophobicContact CB-CG 4.4Å; Q1042-Y1045 HydrophobicContact CG-CD1 4.33Å; Q1042-Y1045 HydrophobicContact CG-CE1 3.84Å; Q1042-Y1045 PolarHBondContact N-OH 3.42Å; Q1042-Y1045 WeakPolarHBondContact O-CE2 3.15Å; Q1042-Y1045 VanDerWaalsContact OE1-CD1 3.25Å; Y1045-P1047 WeakPolarHBondContact O-CD 3.33Å; Y1045-I1063 HydrophobicContact CD1-CG2 4.05Å; Y1045-I1063 HydrophobicContact CD2-CB 4.39Å; Y1045-I1063 HydrophobicContact CD2-CG2 3.77Å; Y1045-I1063 HydrophobicContact CE1-CB 4.35Å; Y1045-I1063 HydrophobicContact CE1-CG2 4.35Å; Y1045-I1063 HydrophobicContact CE2-CB 4.19Å; Y1045-I1063 HydrophobicContact CE2-CG2 4.08Å; Y1045-I1063 HydrophobicContact CG-CG2 3.77Å; Y1045-S1064 PolarHBondContact OH-O 3.19Å; Y1045-L1131 PolarHBondContact N-O 3.12Å; Y1045-S1132 CarbonylContact O-C 3.6Å; Y1045-S1132 VanDerWaalsContact O-CA 3.32Å; Y1045-S1132 WeakPolarHBondContact O-CA 3.46Å; Y1045-V1133 PolarHBondContact O-N 2.66Å |
| 1046 | R | 81.1 | Confident | 78.9 | Confident | 180 Ų | 180 | 76.8 Ų | 76.8 | 68% | 0.679 | 38% | 0.383 | S | S | * | . | trans | -120 | 84 | 177.8 | -64 | -172.7 | -176.7 | -140.7 | -0.9 | 111.3 | E1044 V1133 | E1044-R1046 IonicContact OE2-CZ 3.43Å; E1044-R1046 IonicContact OE2-NE 3.72Å; E1044-R1046 PolarHBondContact OE2-NE 2.83Å; E1044-R1046 IonicContact OE2-NH2 3.55Å; E1044-R1046 PolarHBondContact OE2-NH2 3.35Å; R1046-V1133 HydrophobicContact CG-CB 4.47Å | ||
| 1047 | P | 82.1 | Confident | 79.7 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 160.1 | 174.9 | 22.8 | -33.3 | 0 | 0 | 0 | 113.2 | Y1045 V1060 V1133 I1134 | Y1045-P1047 WeakPolarHBondContact O-CD 3.33Å; P1047-V1060 HydrophobicContact CB-CG1 4.19Å; P1047-V1060 WeakPolarHBondContact CB-O 3.42Å; P1047-V1060 HydrophobicContact CG-CG1 3.95Å; P1047-V1133 WeakPolarHBondContact CD-O 3.44Å; P1047-I1134 HydrophobicContact CG-CB 4.46Å; P1047-I1134 HydrophobicContact CG-CG1 3.8Å |
| 1048 | P | 79.8 | Confident | 80.6 | Confident | 98 Ų | 98 | 77.5 Ų | 77.5 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -62 | 156.7 | 173.7 | 25.8 | -32.6 | 0 | 0 | 0 | 111.9 | ||
| 1049 | P | 83.1 | Confident | 81.2 | Confident | 82 Ų | 82 | 81.8 Ų | 81.8 | 53% | 0.532 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 138.1 | -177.7 | -20.9 | 30.9 | 0 | 0 | 0 | 113.3 | P1135 | P1049-P1135 CarbonylContact C-O 3.56Å; P1049-P1135 WeakPolarHBondContact CA-O 3.28Å; P1049-P1135 HydrophobicContact CB-CG 4.33Å; P1049-P1135 HydrophobicContact CG-CG 4.15Å |
| 1050 | V | 83.5 | Confident | 81.7 | Confident | 10 Ų | 10 | 75.2 Ų | 75.2 | 6% | 0.061 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.5 | 178.6 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | A1054 V1060 V1096 L1100 I1134 P1135 C1136 S1137 | V1050-A1054 HydrophobicContact CG1-CB 3.7Å; V1050-V1060 HydrophobicContact CG2-CB 4.18Å; V1050-V1060 HydrophobicContact CG2-CG1 3.67Å; V1050-V1060 HydrophobicContact CG2-CG2 3.9Å; V1050-V1096 HydrophobicContact CG1-CG2 3.85Å; V1050-L1100 HydrophobicContact CB-CD1 4.14Å; V1050-L1100 HydrophobicContact CG1-CD1 3.63Å; V1050-I1134 HydrophobicContact CG2-CG2 3.97Å; V1050-P1135 PolarHBondContact N-O 3.17Å; V1050-C1136 CarbonylContact O-C 3.49Å; V1050-C1136 VanDerWaalsContact O-CA 3.3Å; V1050-C1136 WeakPolarHBondContact O-CA 3.04Å; V1050-S1137 PolarHBondContact O-N 3.33Å |
| 1051 | S | 81.8 | Confident | 82 | Confident | 39 Ų | 39 | 74.8 Ų | 74.8 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 140.1 | 175 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | L1053 A1054 | S1051-L1053 PolarHBondContact O-N 3Å; S1051-L1053 PolarHBondContact OG-N 2.84Å; S1051-A1054 WeakPolarHBondContact O-CB 3.21Å; S1051-A1054 PolarHBondContact O-N 2.72Å |
| 1052 | E | 82.9 | Confident | 82.3 | Confident | 32 Ų | 32 | 74.7 Ų | 74.7 | 15% | 0.15 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -35.7 | 173 | 70.7 | -166.2 | 143.3 | 0 | 0 | 112.3 | A1054 L1100 Y1102 | E1052-A1054 PolarHBondContact O-N 2.98Å; E1052-A1054 VanDerWaalsContact O-N 3.14Å; E1052-L1100 CarbonylContact C-O 3.5Å; E1052-L1100 WeakPolarHBondContact CB-O 3.29Å; E1052-Y1102 WeakPolarHBondContact OE2-CB 3.27Å; E1052-Y1102 PolarHBondContact OE2-N 2.76Å |
| 1053 | L | 80.7 | Confident | 82.8 | Confident | 140 Ų | 140 | 70 Ų | 70 | 73% | 0.733 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 11.7 | 173.4 | -60.9 | 174.7 | 0 | 0 | 0 | 114.4 | S1051 A1055 | S1051-L1053 PolarHBondContact O-N 3Å; S1051-L1053 PolarHBondContact OG-N 2.84Å; L1053-A1055 PolarHBondContact O-N 2.79Å |
| 1054 | A | 82 | Confident | 83.5 | Confident | 15 Ų | 15 | 63.8 Ų | 63.8 | 12% | 0.124 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -64 | 125.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1050 S1051 E1052 T1058 V1096 | V1050-A1054 HydrophobicContact CG1-CB 3.7Å; S1051-A1054 WeakPolarHBondContact O-CB 3.21Å; S1051-A1054 PolarHBondContact O-N 2.72Å; E1052-A1054 PolarHBondContact O-N 2.98Å; E1052-A1054 VanDerWaalsContact O-N 3.14Å; A1054-T1058 HydrophobicContact CB-CG2 4.17Å; A1054-V1096 HydrophobicContact CB-CG2 4.3Å |
| 1055 | A | 84.7 | Confident | 83.9 | Confident | 68 Ų | 68 | 59.9 Ų | 59.9 | 56% | 0.562 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 152.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1053 G1057 T1058 | L1053-A1055 PolarHBondContact O-N 2.79Å; A1055-G1057 PolarHBondContact O-N 2.7Å; A1055-T1058 PolarHBondContact N-OG1 3.04Å; A1055-T1058 WeakPolarHBondContact O-CB 3.33Å; A1055-T1058 PolarHBondContact O-N 2.84Å; A1055-T1058 PolarHBondContact O-OG1 3.48Å |
| 1056 | R | 85.5 | Confident | 83.7 | Confident | 189 Ų | 189 | 62.2 Ų | 62.2 | 71% | 0.713 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 128.8 | 172 | -171.1 | 174.7 | -171.1 | -165.3 | 2.4 | 109.9 | V1096 N1097 | R1056-V1096 CarbonylContact C-O 3.59Å; R1056-N1097 WeakPolarHBondContact CD-O 3.36Å; R1056-N1097 VanDerWaalsContact CG-O 3.31Å; R1056-N1097 WeakPolarHBondContact CG-O 3.31Å; R1056-N1097 PolarHBondContact NE-O 2.82Å; R1056-N1097 PolarHBondContact NE-OD1 3.16Å; R1056-N1097 PolarHBondContact NH2-OD1 2.94Å |
| 1057 | G | 86 | Confident | 83.4 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 46% | 0.464 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | -4.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | A1055 V1059 V1096 | A1055-G1057 PolarHBondContact O-N 2.7Å; G1057-V1059 PolarHBondContact O-N 3.25Å; G1057-V1096 PolarHBondContact N-O 2.78Å |
| 1058 | T | 88 | Confident | 82.9 | Confident | 55 Ų | 55 | 58.1 Ų | 58.1 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | trans | -62.1 | 124 | 175.9 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | A1054 A1055 V1060 Y1095 V1096 | A1054-T1058 HydrophobicContact CB-CG2 4.17Å; A1055-T1058 PolarHBondContact N-OG1 3.04Å; A1055-T1058 WeakPolarHBondContact O-CB 3.33Å; A1055-T1058 PolarHBondContact O-N 2.84Å; A1055-T1058 PolarHBondContact O-OG1 3.48Å; T1058-V1060 PolarHBondContact O-N 3.23Å; T1058-Y1095 CarbonylContact O-C 3.56Å; T1058-Y1095 VanDerWaalsContact O-CA 3.23Å; T1058-Y1095 WeakPolarHBondContact O-CA 3.34Å; T1058-Y1095 WeakPolarHBondContact O-CB 3.11Å; T1058-V1096 PolarHBondContact O-N 3.04Å | ||
| 1059 | V | 88.4 | Confident | 82.4 | Confident | 93 Ų | 93 | 61.3 Ų | 61.3 | 56% | 0.564 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 124.8 | 178.4 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | G1057 V1093 | G1057-V1059 PolarHBondContact O-N 3.25Å; V1059-V1093 HydrophobicContact CB-CG1 4.42Å; V1059-V1093 HydrophobicContact CG1-CG1 3.78Å; V1059-V1093 HydrophobicContact CG2-CG1 3.91Å |
| 1060 | V | 86.2 | Confident | 81.9 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -47.3 | -179.2 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | P1047 V1050 T1058 F1085 I1094 V1096 I1134 | P1047-V1060 HydrophobicContact CB-CG1 4.19Å; P1047-V1060 WeakPolarHBondContact CB-O 3.42Å; P1047-V1060 HydrophobicContact CG-CG1 3.95Å; V1050-V1060 HydrophobicContact CG2-CB 4.18Å; V1050-V1060 HydrophobicContact CG2-CG1 3.67Å; V1050-V1060 HydrophobicContact CG2-CG2 3.9Å; T1058-V1060 PolarHBondContact O-N 3.23Å; V1060-F1085 HydrophobicContact CG2-CD1 3.91Å; V1060-F1085 HydrophobicContact CG2-CE1 3.87Å; V1060-I1094 HydrophobicContact CB-CG2 4.36Å; V1060-I1094 WeakPolarHBondContact CB-O 3.43Å; V1060-I1094 PolarHBondContact N-O 2.88Å; V1060-V1096 HydrophobicContact CG2-CG2 3.68Å; V1060-I1134 HydrophobicContact CG1-CB 4.27Å; V1060-I1134 HydrophobicContact CG1-CD1 3.76Å; V1060-I1134 HydrophobicContact CG1-CG1 3.72Å; V1060-I1134 HydrophobicContact CG1-CG2 3.53Å |
| 1061 | G | 86.3 | Confident | 81.6 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 19% | 0.186 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | 172.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1094 | G1061-I1094 PolarHBondContact N-O 2.76Å; G1061-I1094 PolarHBondContact O-N 2.61Å |
| 1062 | V | 86.6 | Confident | 81.5 | Confident | 84 Ų | 84 | 61.4 Ų | 61.4 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.7 | 178 | -171 | 0 | 0 | 0 | 0 | 108.1 | G1092 V1093 | V1062-G1092 WeakPolarHBondContact CA-O 3.35Å; V1062-V1093 HydrophobicContact CG1-CG2 4.19Å; V1062-V1093 HydrophobicContact CG2-CB 4.49Å; V1062-V1093 HydrophobicContact CG2-CG2 3.87Å |
| 1063 | I | 86 | Confident | 81.4 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | trans | -99.8 | 149.4 | 171.2 | 65.3 | 179.4 | 0 | 0 | 0 | 109.4 | F1040 Y1045 Y1074 I1087 G1092 I1094 V1112 | F1040-I1063 HydrophobicContact CE1-CB 4.43Å; F1040-I1063 HydrophobicContact CE1-CD1 3.84Å; F1040-I1063 HydrophobicContact CE1-CG1 4.34Å; Y1045-I1063 HydrophobicContact CD1-CG2 4.05Å; Y1045-I1063 HydrophobicContact CD2-CB 4.39Å; Y1045-I1063 HydrophobicContact CD2-CG2 3.77Å; Y1045-I1063 HydrophobicContact CE1-CB 4.35Å; Y1045-I1063 HydrophobicContact CE1-CG2 4.35Å; Y1045-I1063 HydrophobicContact CE2-CB 4.19Å; Y1045-I1063 HydrophobicContact CE2-CG2 4.08Å; Y1045-I1063 HydrophobicContact CG-CG2 3.77Å; I1063-Y1074 HydrophobicContact CD1-CD1 3.86Å; I1063-Y1074 HydrophobicContact CD1-CG 4.39Å; I1063-Y1074 HydrophobicContact CG1-CD1 3.99Å; I1063-Y1074 HydrophobicContact CG1-CE1 4.29Å; I1063-Y1074 HydrophobicContact CG1-CG 4.46Å; I1063-I1087 HydrophobicContact CD1-CD1 3.53Å; I1063-I1087 HydrophobicContact CG1-CD1 4.08Å; I1063-G1092 WeakPolarHBondContact CG1-O 3.28Å; I1063-G1092 PolarHBondContact N-O 2.91Å; I1063-I1094 HydrophobicContact CG2-CD1 4.04Å; I1063-V1112 HydrophobicContact CD1-CB 3.66Å; I1063-V1112 HydrophobicContact CD1-CG1 3.28Å; I1063-V1112 HydrophobicContact CD1-CG2 3.99Å | ||
| 1064 | S | 83.7 | Confident | 81.6 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | trans | -140 | 128.5 | 176.9 | 61.1 | 0 | 0 | 0 | 0 | 110.3 | T1041 Y1045 | T1041-S1064 WeakPolarHBondContact CG2-OG 3.5Å; T1041-S1064 PolarHBondContact N-O 2.9Å; T1041-S1064 PolarHBondContact OG1-O 2.98Å; T1041-S1064 VanDerWaalsContact OG1-O 3.08Å; T1041-S1064 PolarHBondContact OG1-OG 2.79Å; Y1045-S1064 PolarHBondContact OH-O 3.19Å | ||
| 1065 | A | 83 | Confident | 81.9 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 157.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | P1038 R1039 F1040 I1072 Y1074 A1114 | P1038-A1065 HydrophobicContact CB-CB 4.34Å; R1039-A1065 CarbonylContact O-C 3.57Å; R1039-A1065 WeakPolarHBondContact O-CA 3.29Å; R1039-A1065 WeakPolarHBondContact O-CB 3.45Å; F1040-A1065 HydrophobicContact CD1-CB 3.89Å; F1040-A1065 HydrophobicContact CE1-CB 4.14Å; F1040-A1065 HydrophobicContact CG-CB 4.16Å; A1065-I1072 HydrophobicContact CB-CD1 3.96Å; A1065-I1072 HydrophobicContact CB-CG2 4.32Å; A1065-I1072 WeakPolarHBondContact O-CD1 3.24Å; A1065-Y1074 HydrophobicContact CB-CE1 3.85Å; A1065-Y1074 PolarHBondContact N-OH 2.95Å; A1065-Y1074 PolarHBondContact O-OH 2.81Å; A1065-A1114 HydrophobicContact CB-CB 3.67Å |
| 1066 | A | 75.8 | Confident | 81.9 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 52% | 0.521 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110 | R1039 | R1039-A1066 PolarHBondContact N-O 3.5Å; R1039-A1066 PolarHBondContact O-N 2.88Å |
| 1067 | A | 75 | Confident | 81.8 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | trans | -138.9 | 143.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | P1038 N1069 Q1070 I1072 | P1038-A1067 HydrophobicContact CB-CB 4.48Å; P1038-A1067 HydrophobicContact CG-CB 4.24Å; A1067-N1069 PolarHBondContact O-N 3.41Å; A1067-Q1070 HydrophobicContact CB-CB 4.1Å; A1067-I1072 HydrophobicContact CB-CD1 4.18Å; A1067-I1072 HydrophobicContact CB-CG1 4.42Å | ||
| 1068 | I | 71.5 | Confident | 81.6 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 51% | 0.508 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 123.9 | -179.7 | -63.8 | 177.6 | 0 | 0 | 0 | 108.7 | G1035 Q1070 | G1035-I1068 WeakPolarHBondContact O-CG1 3.26Å; G1035-I1068 PolarHBondContact O-N 2.84Å; I1068-Q1070 PolarHBondContact O-N 3.13Å; I1068-Q1070 VanDerWaalsContact O-N 3.1Å |
| 1069 | N | 70.3 | Confident | 81.3 | Confident | 164 Ų | 164 | 47.3 Ų | 47.3 | 88% | 0.877 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 22.8 | 173.9 | -63.3 | -22.3 | 0 | 0 | 0 | 116.1 | A1067 | A1067-N1069 PolarHBondContact O-N 3.41Š|
| 1070 | Q | 71.1 | Confident | 81.3 | Confident | 42 Ų | 42 | 43.8 Ų | 43.8 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | trans | -123.9 | 141.7 | 179.9 | -69.8 | -179 | -13.1 | 0 | 0 | 111.7 | E1036 A1067 I1068 S1116 | E1036-Q1070 PolarHBondContact O-OE1 3.34Å; A1067-Q1070 HydrophobicContact CB-CB 4.1Å; I1068-Q1070 PolarHBondContact O-N 3.13Å; I1068-Q1070 VanDerWaalsContact O-N 3.1Å; Q1070-S1116 PolarHBondContact OE1-OG 2.84Å | ||
| 1071 | S | 78 | Confident | 81.1 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | trans | -80.9 | 131.9 | 168.3 | 46.3 | 0 | 0 | 0 | 0 | 109.4 | L1117 | S1071-L1117 WeakPolarHBondContact O-CB 3.36Å; S1071-L1117 PolarHBondContact O-N 3.49Å; S1071-L1117 WeakPolarHBondContact OG-CB 3.09Å; S1071-L1117 VanDerWaalsContact OG-CD2 3.29Å; S1071-L1117 WeakPolarHBondContact OG-CD2 3.49Å | ||
| 1072 | I | 78.9 | Confident | 80.8 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 137.8 | -174.8 | -65.5 | 166 | 0 | 0 | 0 | 109.7 | P1038 A1065 A1067 Y1074 A1114 D1115 | P1038-I1072 HydrophobicContact CB-CD1 4.2Å; P1038-I1072 HydrophobicContact CB-CG1 4.35Å; P1038-I1072 HydrophobicContact CG-CG1 4.4Å; A1065-I1072 HydrophobicContact CB-CD1 3.96Å; A1065-I1072 HydrophobicContact CB-CG2 4.32Å; A1065-I1072 WeakPolarHBondContact O-CD1 3.24Å; A1067-I1072 HydrophobicContact CB-CD1 4.18Å; A1067-I1072 HydrophobicContact CB-CG1 4.42Å; I1072-Y1074 HydrophobicContact CB-CE2 4.47Å; I1072-Y1074 HydrophobicContact CG2-CD1 4.25Å; I1072-Y1074 HydrophobicContact CG2-CD2 4.45Å; I1072-Y1074 HydrophobicContact CG2-CE1 3.77Å; I1072-Y1074 HydrophobicContact CG2-CE2 3.99Å; I1072-A1114 HydrophobicContact CG2-CB 3.73Å; I1072-D1115 CarbonylContact C-O 3.55Å; I1072-D1115 WeakPolarHBondContact CA-O 3.27Å |
| 1073 | V | 82 | Confident | 80.8 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 126.5 | 173.6 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | N1089 A1114 D1115 L1117 | V1073-N1089 CarbonylContact C-O 3.56Å; V1073-N1089 VanDerWaalsContact CA-O 3.29Å; V1073-N1089 WeakPolarHBondContact CA-O 3.22Å; V1073-N1089 HydrophobicContact CG1-CB 4Å; V1073-A1114 WeakPolarHBondContact O-CA 3.32Å; V1073-D1115 PolarHBondContact N-O 3.32Å; V1073-D1115 PolarHBondContact O-N 3.39Å; V1073-L1117 HydrophobicContact CG2-CB 4.09Å; V1073-L1117 HydrophobicContact CG2-CD1 3.44Å; V1073-L1117 VanDerWaalsContact CG2-CD1 3.44Å; V1073-L1117 HydrophobicContact CG2-CG 4.38Å |
| 1074 | Y | 85.3 | Confident | 80.8 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 140.4 | 178 | -55.1 | -84.5 | 0 | 0 | 0 | 111.4 | F1040 I1063 A1065 I1072 N1089 Q1113 A1114 | F1040-Y1074 AromaticContact CE1-CD1 3.95Å; F1040-Y1074 HydrophobicContact CE1-CD1 3.95Å; F1040-Y1074 AromaticContact CE1-CE1 3.89Å; F1040-Y1074 HydrophobicContact CE1-CE1 3.89Å; F1040-Y1074 HydrophobicContact CZ-CD1 4.35Å; I1063-Y1074 HydrophobicContact CD1-CD1 3.86Å; I1063-Y1074 HydrophobicContact CD1-CG 4.39Å; I1063-Y1074 HydrophobicContact CG1-CD1 3.99Å; I1063-Y1074 HydrophobicContact CG1-CE1 4.29Å; I1063-Y1074 HydrophobicContact CG1-CG 4.46Å; A1065-Y1074 HydrophobicContact CB-CE1 3.85Å; A1065-Y1074 PolarHBondContact N-OH 2.95Å; A1065-Y1074 PolarHBondContact O-OH 2.81Å; I1072-Y1074 HydrophobicContact CB-CE2 4.47Å; I1072-Y1074 HydrophobicContact CG2-CD1 4.25Å; I1072-Y1074 HydrophobicContact CG2-CD2 4.45Å; I1072-Y1074 HydrophobicContact CG2-CE1 3.77Å; I1072-Y1074 HydrophobicContact CG2-CE2 3.99Å; Y1074-N1089 PolarHBondContact N-O 2.63Å; Y1074-N1089 WeakPolarHBondContact O-CA 3.34Å; Y1074-N1089 WeakPolarHBondContact O-CB 3.3Å; Y1074-Q1113 WeakPolarHBondContact CA-O 3.44Å; Y1074-A1114 HydrophobicContact CD1-CB 4.08Å; Y1074-A1114 HydrophobicContact CE1-CB 4.07Å |
| 1075 | S | 86.6 | Confident | 81.2 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 141.4 | 173.2 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | V1112 Q1113 | S1075-V1112 WeakPolarHBondContact O-CA 3.31Å; S1075-V1112 WeakPolarHBondContact O-CG1 3.34Å; S1075-Q1113 PolarHBondContact N-O 2.86Å; S1075-Q1113 PolarHBondContact O-N 3.37Å |
| 1076 | I | 86 | Confident | 81.5 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 124.3 | 171.9 | -61.3 | 163.4 | 0 | 0 | 0 | 107.6 | N1080 I1087 L1110 V1112 | I1076-N1080 HydrophobicContact CG2-CB 3.69Å; I1076-I1087 HydrophobicContact CD1-CB 3.99Å; I1076-I1087 HydrophobicContact CD1-CG2 4.01Å; I1076-I1087 HydrophobicContact CG1-CB 4.09Å; I1076-I1087 HydrophobicContact CG1-CG2 3.79Å; I1076-L1110 HydrophobicContact CD1-CD1 4.23Å; I1076-V1112 HydrophobicContact CG1-CG1 4.47Å; I1076-V1112 HydrophobicContact CG1-CG2 4.46Å |
| 1077 | V | 83.2 | Confident | 82.3 | Confident | 65 Ų | 65 | 53 Ų | 53 | 39% | 0.394 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -17.4 | -176.4 | -68.4 | 0 | 0 | 0 | 0 | 113.7 | R1111 Q1113 | V1077-R1111 HydrophobicContact CG2-CB 4.15Å; V1077-R1111 HydrophobicContact CG2-CG 3.99Å; V1077-R1111 VanDerWaalsContact CG2-O 3.3Å; V1077-R1111 WeakPolarHBondContact CG2-O 3.47Å; V1077-R1111 PolarHBondContact N-O 2.84Å; V1077-Q1113 HydrophobicContact CG1-CB 3.6Å; V1077-Q1113 HydrophobicContact CG1-CG 4.47Å; V1077-Q1113 HydrophobicContact CG2-CB 4.21Å |
| 1078 | A | 81.9 | Confident | 82.9 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 37% | 0.372 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 163.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1111 | A1078-R1111 HydrophobicContact CB-CB 4.02Å; A1078-R1111 PolarHBondContact N-O 3.36Å; A1078-R1111 PolarHBondContact O-N 3.36Å |
| 1079 | G | 82.4 | Confident | 83.6 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 87.2 | 3.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E1081 V1109 L1110 | G1079-E1081 VanDerWaalsContact C-OE2 3.32Å; G1079-E1081 VanDerWaalsContact CA-OE1 3.22Å; G1079-E1081 WeakPolarHBondContact CA-OE1 3.32Å; G1079-E1081 PolarHBondContact N-OE1 2.78Å; G1079-V1109 WeakPolarHBondContact CA-O 3.38Å; G1079-L1110 WeakPolarHBondContact O-CD2 3.44Å |
| 1080 | N | 87.7 | Confident | 84.2 | Confident | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | trans | -126.7 | 41.1 | -178.8 | -165.1 | 48.4 | 0 | 0 | 0 | 111.4 | I1076 E1082 D1083 K1084 F1085 L1110 | I1076-N1080 HydrophobicContact CG2-CB 3.69Å; N1080-E1082 PolarHBondContact O-N 3.02Å; N1080-D1083 PolarHBondContact O-N 3.03Å; N1080-K1084 PolarHBondContact OD1-N 2.87Å; N1080-F1085 PolarHBondContact ND2-O 2.82Å; N1080-F1085 PolarHBondContact OD1-N 2.92Å; N1080-L1110 HydrophobicContact CB-CD2 3.89Å | ||
| 1081 | E | 80.8 | Confident | 84.9 | Confident | 132 Ų | 132 | 53.3 Ų | 53.3 | 62% | 0.617 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -25.1 | -172.4 | -58.8 | 74.5 | -157.9 | 0 | 0 | 113 | G1079 R1105 | G1079-E1081 VanDerWaalsContact C-OE2 3.32Å; G1079-E1081 VanDerWaalsContact CA-OE1 3.22Å; G1079-E1081 WeakPolarHBondContact CA-OE1 3.32Å; G1079-E1081 PolarHBondContact N-OE1 2.78Å; E1081-R1105 IonicContact OE2-NH1 2.64Å |
| 1082 | E | 81.1 | Confident | 85.2 | Confident | 113 Ų | 113 | 50 Ų | 50 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 12.1 | 178 | -66.2 | 178.1 | -157.6 | 0 | 0 | 113.4 | N1080 K1084 | N1080-E1082 PolarHBondContact O-N 3.02Å; E1082-K1084 HydrophobicContact CB-CD 4.28Å; E1082-K1084 HydrophobicContact CB-CG 3.87Å; E1082-K1084 PolarHBondContact O-N 3.31Å; E1082-K1084 WeakPolarHBondContact OE2-CE 3.47Å; E1082-K1084 IonicContact OE2-NZ 2.69Å |
| 1083 | D | 86.5 | Confident | 85.7 | Confident | 103 Ų | 103 | 50.5 Ų | 50.5 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | trans | 49.1 | 35.1 | -179.5 | -70.3 | -40.4 | 0 | 0 | 0 | 114.2 | N1080 F1085 N1097 S1098 | N1080-D1083 PolarHBondContact O-N 3.03Å; D1083-F1085 VanDerWaalsContact C-N 3.28Å; D1083-F1085 PolarHBondContact O-N 2.79Å; D1083-N1097 PolarHBondContact O-ND2 3.47Å; D1083-N1097 VanDerWaalsContact O-ND2 3.15Å; D1083-S1098 PolarHBondContact O-OG 3.02Å | ||
| 1084 | K | 86.5 | Confident | 86 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 17% | 0.174 | 28% | 0.277 | C | S | . | . | trans | -67.6 | -31.1 | -179.2 | -63.9 | -62.2 | -171.6 | 174.5 | 0 | 112.3 | N1080 E1082 N1097 S1098 P1099 L1100 Y1108 | N1080-K1084 PolarHBondContact OD1-N 2.87Å; E1082-K1084 HydrophobicContact CB-CD 4.28Å; E1082-K1084 HydrophobicContact CB-CG 3.87Å; E1082-K1084 PolarHBondContact O-N 3.31Å; E1082-K1084 WeakPolarHBondContact OE2-CE 3.47Å; E1082-K1084 IonicContact OE2-NZ 2.69Å; K1084-N1097 PolarHBondContact O-N 2.94Å; K1084-S1098 PolarHBondContact O-N 2.71Å; K1084-S1098 VanDerWaalsContact O-N 3.15Å; K1084-P1099 PolarHBondContact NZ-O 3.25Å; K1084-L1100 HydrophobicContact CB-CD2 4.23Å; K1084-Y1108 HydrophobicContact CB-CE1 4.17Å; K1084-Y1108 HydrophobicContact CG-CE1 3.89Å | ||
| 1085 | F | 91.2 | Very high | 86.3 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 144.5 | 179.3 | -57.2 | -82.4 | 0 | 0 | 0 | 110.9 | V1060 N1080 D1083 I1094 Y1095 V1096 L1100 Y1108 L1110 I1134 | V1060-F1085 HydrophobicContact CG2-CD1 3.91Å; V1060-F1085 HydrophobicContact CG2-CE1 3.87Å; N1080-F1085 PolarHBondContact ND2-O 2.82Å; N1080-F1085 PolarHBondContact OD1-N 2.92Å; D1083-F1085 VanDerWaalsContact C-N 3.28Å; D1083-F1085 PolarHBondContact O-N 2.79Å; F1085-I1094 HydrophobicContact CB-CG2 4.04Å; F1085-I1094 HydrophobicContact CD1-CG2 4.34Å; F1085-I1094 HydrophobicContact CG-CG2 4.47Å; F1085-Y1095 CarbonylContact C-O 3.56Å; F1085-Y1095 VanDerWaalsContact CA-O 3.31Å; F1085-Y1095 WeakPolarHBondContact CA-O 3.48Å; F1085-V1096 HydrophobicContact CE1-CG2 4.42Å; F1085-L1100 HydrophobicContact CE1-CD1 4.29Å; F1085-L1100 HydrophobicContact CE1-CD2 4.17Å; F1085-L1100 HydrophobicContact CE2-CD2 4.19Å; F1085-L1100 HydrophobicContact CZ-CD1 4.31Å; F1085-L1100 HydrophobicContact CZ-CD2 3.64Å; F1085-Y1108 HydrophobicContact CD2-CD1 4.37Å; F1085-Y1108 HydrophobicContact CD2-CG 4.35Å; F1085-Y1108 AromaticContact CE2-CD1 3.67Å; F1085-Y1108 HydrophobicContact CE2-CD1 3.67Å; F1085-Y1108 AromaticContact CE2-CD2 3.53Å; F1085-Y1108 HydrophobicContact CE2-CD2 3.53Å; F1085-Y1108 HydrophobicContact CE2-CE1 4.07Å; F1085-Y1108 AromaticContact CE2-CE2 3.98Å; F1085-Y1108 HydrophobicContact CE2-CE2 3.98Å; F1085-Y1108 AromaticContact CE2-CG 3.37Å; F1085-Y1108 HydrophobicContact CE2-CG 3.37Å; F1085-Y1108 AromaticContact CZ-CD2 3.75Å; F1085-Y1108 HydrophobicContact CZ-CD2 3.75Å; F1085-Y1108 HydrophobicContact CZ-CE2 4.17Å; F1085-Y1108 HydrophobicContact CZ-CG 4.04Å; F1085-L1110 HydrophobicContact CB-CD1 3.95Å; F1085-L1110 HydrophobicContact CD2-CD1 4.16Å; F1085-L1110 HydrophobicContact CD2-CD2 4.21Å; F1085-L1110 HydrophobicContact CG-CD1 4.08Å; F1085-I1134 HydrophobicContact CD1-CD1 3.95Å; F1085-I1134 HydrophobicContact CD2-CD1 4.32Å; F1085-I1134 HydrophobicContact CE1-CD1 3.89Å; F1085-I1134 HydrophobicContact CE1-CG2 4.14Å; F1085-I1134 HydrophobicContact CE2-CD1 4.3Å; F1085-I1134 HydrophobicContact CG-CD1 4.16Å; F1085-I1134 HydrophobicContact CZ-CD1 4.06Å; F1085-I1134 HydrophobicContact CZ-CG2 4.09Å |
| 1086 | G | 89.9 | Confident | 86.5 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 152.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | I1094 Y1095 | G1086-I1094 CarbonylContact O-C 3.15Å; G1086-I1094 VanDerWaalsContact O-CA 3.31Å; G1086-I1094 WeakPolarHBondContact O-CA 3.34Å; G1086-Y1095 PolarHBondContact N-O 3.19Å; G1086-Y1095 WeakPolarHBondContact O-CD1 3.26Å; G1086-Y1095 PolarHBondContact O-N 2.84Å |
| 1087 | I | 91.4 | Very high | 86.7 | Confident | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132 | 170 | -169.2 | 166 | 0 | 0 | 0 | 109.7 | I1063 I1076 N1089 V1093 I1094 V1112 | I1063-I1087 HydrophobicContact CD1-CD1 3.53Å; I1063-I1087 HydrophobicContact CG1-CD1 4.08Å; I1076-I1087 HydrophobicContact CD1-CB 3.99Å; I1076-I1087 HydrophobicContact CD1-CG2 4.01Å; I1076-I1087 HydrophobicContact CG1-CB 4.09Å; I1076-I1087 HydrophobicContact CG1-CG2 3.79Å; I1087-N1089 PolarHBondContact O-N 2.81Å; I1087-V1093 CarbonylContact C-O 3.52Å; I1087-V1093 WeakPolarHBondContact CA-O 3.44Å; I1087-I1094 HydrophobicContact CB-CG1 4.38Å; I1087-I1094 HydrophobicContact CD1-CD1 4.48Å; I1087-I1094 HydrophobicContact CD1-CG1 3.93Å; I1087-I1094 HydrophobicContact CG1-CG1 4.03Å; I1087-V1112 HydrophobicContact CD1-CG1 3.65Å |
| 1088 | N | 88.5 | Confident | 86.8 | Confident | 66 Ų | 66 | 48.5 Ų | 48.5 | 35% | 0.353 | 27% | 0.265 | S | S | . | . | trans | -74.1 | 114.9 | 167.5 | -176.9 | -42.2 | 0 | 0 | 0 | 108.4 | V1090 T1091 G1092 V1093 | N1088-V1090 PolarHBondContact O-N 2.86Å; N1088-V1090 PolarHBondContact OD1-N 2.78Å; N1088-T1091 WeakPolarHBondContact CB-OG1 3.45Å; N1088-T1091 PolarHBondContact ND2-OG1 2.8Å; N1088-T1091 PolarHBondContact O-N 2.83Å; N1088-T1091 PolarHBondContact OD1-N 2.95Å; N1088-T1091 VanDerWaalsContact OD1-N 3.16Å; N1088-T1091 PolarHBondContact OD1-OG1 2.74Å; N1088-G1092 WeakPolarHBondContact O-CA 3.35Å; N1088-G1092 PolarHBondContact O-N 2.84Å; N1088-V1093 HydrophobicContact CB-CB 4.34Å; N1088-V1093 PolarHBondContact N-O 3.45Å | ||
| 1089 | N | 85.8 | Confident | 86.9 | Confident | 88 Ų | 88 | 51.2 Ų | 51.2 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.4 | -172.2 | 64.7 | -10.9 | 0 | 0 | 0 | 114.2 | V1073 Y1074 I1087 | V1073-N1089 CarbonylContact C-O 3.56Å; V1073-N1089 VanDerWaalsContact CA-O 3.29Å; V1073-N1089 WeakPolarHBondContact CA-O 3.22Å; V1073-N1089 HydrophobicContact CG1-CB 4Å; Y1074-N1089 PolarHBondContact N-O 2.63Å; Y1074-N1089 WeakPolarHBondContact O-CA 3.34Å; Y1074-N1089 WeakPolarHBondContact O-CB 3.3Å; I1087-N1089 PolarHBondContact O-N 2.81Å |
| 1090 | V | 83.2 | Confident | 87 | Confident | 106 Ų | 106 | 51.2 Ų | 51.2 | 64% | 0.642 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -42.6 | 177.2 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | N1088 | N1088-V1090 PolarHBondContact O-N 2.86Å; N1088-V1090 PolarHBondContact OD1-N 2.78Å |
| 1091 | T | 84.9 | Confident | 86.7 | Confident | 71 Ų | 71 | 53.2 Ų | 53.2 | 44% | 0.436 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -13.4 | -172.9 | 64.9 | 0 | 0 | 0 | 0 | 114 | N1088 V1093 | N1088-T1091 WeakPolarHBondContact CB-OG1 3.45Å; N1088-T1091 PolarHBondContact ND2-OG1 2.8Å; N1088-T1091 PolarHBondContact O-N 2.83Å; N1088-T1091 PolarHBondContact OD1-N 2.95Å; N1088-T1091 VanDerWaalsContact OD1-N 3.16Å; N1088-T1091 PolarHBondContact OD1-OG1 2.74Å; T1091-V1093 PolarHBondContact O-N 2.91Å; T1091-V1093 VanDerWaalsContact OG1-CG2 3.28Å; T1091-V1093 WeakPolarHBondContact OG1-CG2 3.36Å |
| 1092 | G | 84.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | 71.1 | 11.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1062 I1063 N1088 I1094 | V1062-G1092 WeakPolarHBondContact CA-O 3.35Å; I1063-G1092 WeakPolarHBondContact CG1-O 3.28Å; I1063-G1092 PolarHBondContact N-O 2.91Å; N1088-G1092 WeakPolarHBondContact O-CA 3.35Å; N1088-G1092 PolarHBondContact O-N 2.84Å; G1092-I1094 PolarHBondContact O-N 3.15Å | ||
| 1093 | V | 89.2 | Confident | 86.7 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 119.4 | 179.2 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | V1059 V1062 I1087 N1088 T1091 | V1059-V1093 HydrophobicContact CB-CG1 4.42Å; V1059-V1093 HydrophobicContact CG1-CG1 3.78Å; V1059-V1093 HydrophobicContact CG2-CG1 3.91Å; V1062-V1093 HydrophobicContact CG1-CG2 4.19Å; V1062-V1093 HydrophobicContact CG2-CB 4.49Å; V1062-V1093 HydrophobicContact CG2-CG2 3.87Å; I1087-V1093 CarbonylContact C-O 3.52Å; I1087-V1093 WeakPolarHBondContact CA-O 3.44Å; N1088-V1093 HydrophobicContact CB-CB 4.34Å; N1088-V1093 PolarHBondContact N-O 3.45Å; T1091-V1093 PolarHBondContact O-N 2.91Å; T1091-V1093 VanDerWaalsContact OG1-CG2 3.28Å; T1091-V1093 WeakPolarHBondContact OG1-CG2 3.36Å |
| 1094 | I | 89.8 | Confident | 86.4 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 128.3 | 171.8 | -57.5 | 174.4 | 0 | 0 | 0 | 108.2 | V1060 G1061 I1063 F1085 G1086 I1087 G1092 L1110 V1112 I1134 | V1060-I1094 HydrophobicContact CB-CG2 4.36Å; V1060-I1094 WeakPolarHBondContact CB-O 3.43Å; V1060-I1094 PolarHBondContact N-O 2.88Å; G1061-I1094 PolarHBondContact N-O 2.76Å; G1061-I1094 PolarHBondContact O-N 2.61Å; I1063-I1094 HydrophobicContact CG2-CD1 4.04Å; F1085-I1094 HydrophobicContact CB-CG2 4.04Å; F1085-I1094 HydrophobicContact CD1-CG2 4.34Å; F1085-I1094 HydrophobicContact CG-CG2 4.47Å; G1086-I1094 CarbonylContact O-C 3.15Å; G1086-I1094 VanDerWaalsContact O-CA 3.31Å; G1086-I1094 WeakPolarHBondContact O-CA 3.34Å; I1087-I1094 HydrophobicContact CB-CG1 4.38Å; I1087-I1094 HydrophobicContact CD1-CD1 4.48Å; I1087-I1094 HydrophobicContact CD1-CG1 3.93Å; I1087-I1094 HydrophobicContact CG1-CG1 4.03Å; G1092-I1094 PolarHBondContact O-N 3.15Å; I1094-L1110 HydrophobicContact CD1-CD1 4.39Å; I1094-L1110 HydrophobicContact CG2-CD1 4.02Å; I1094-V1112 HydrophobicContact CD1-CG2 4.47Å; I1094-I1134 HydrophobicContact CG2-CD1 4.26Å |
| 1095 | Y | 91.3 | Very high | 86 | Confident | 78 Ų | 78 | 52.9 Ų | 52.9 | 31% | 0.306 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 157.5 | -178.1 | 63 | -89.4 | 0 | 0 | 0 | 111.9 | T1058 F1085 G1086 N1097 | T1058-Y1095 CarbonylContact O-C 3.56Å; T1058-Y1095 VanDerWaalsContact O-CA 3.23Å; T1058-Y1095 WeakPolarHBondContact O-CA 3.34Å; T1058-Y1095 WeakPolarHBondContact O-CB 3.11Å; F1085-Y1095 CarbonylContact C-O 3.56Å; F1085-Y1095 VanDerWaalsContact CA-O 3.31Å; F1085-Y1095 WeakPolarHBondContact CA-O 3.48Å; G1086-Y1095 PolarHBondContact N-O 3.19Å; G1086-Y1095 WeakPolarHBondContact O-CD1 3.26Å; G1086-Y1095 PolarHBondContact O-N 2.84Å; Y1095-N1097 HydrophobicContact CE2-CB 4.28Å; Y1095-N1097 PolarHBondContact O-N 2.89Å |
| 1096 | V | 89.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 114.7 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | V1050 A1054 R1056 G1057 T1058 V1060 F1085 S1098 L1100 | V1050-V1096 HydrophobicContact CG1-CG2 3.85Å; A1054-V1096 HydrophobicContact CB-CG2 4.3Å; R1056-V1096 CarbonylContact C-O 3.59Å; G1057-V1096 PolarHBondContact N-O 2.78Å; T1058-V1096 PolarHBondContact O-N 3.04Å; V1060-V1096 HydrophobicContact CG2-CG2 3.68Å; F1085-V1096 HydrophobicContact CE1-CG2 4.42Å; V1096-S1098 WeakPolarHBondContact CG1-O 3.25Å; V1096-L1100 HydrophobicContact CG1-CD1 4.22Å; V1096-L1100 HydrophobicContact CG1-CG 4.1Å; V1096-L1100 HydrophobicContact CG2-CD1 3.88Å |
| 1097 | N | 90.6 | Very high | 85.3 | Confident | 35 Ų | 35 | 58.3 Ų | 58.3 | 19% | 0.187 | 32% | 0.318 | C | S | . | . | trans | -96.3 | -25.2 | 178.5 | -175.2 | 42.5 | 0 | 0 | 0 | 112.4 | R1056 D1083 K1084 Y1095 | R1056-N1097 WeakPolarHBondContact CD-O 3.36Å; R1056-N1097 VanDerWaalsContact CG-O 3.31Å; R1056-N1097 WeakPolarHBondContact CG-O 3.31Å; R1056-N1097 PolarHBondContact NE-O 2.82Å; R1056-N1097 PolarHBondContact NE-OD1 3.16Å; R1056-N1097 PolarHBondContact NH2-OD1 2.94Å; D1083-N1097 PolarHBondContact O-ND2 3.47Å; D1083-N1097 VanDerWaalsContact O-ND2 3.15Å; K1084-N1097 PolarHBondContact O-N 2.94Å; Y1095-N1097 HydrophobicContact CE2-CB 4.28Å; Y1095-N1097 PolarHBondContact O-N 2.89Å | ||
| 1098 | S | 86 | Confident | 84.9 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -139.7 | 157.2 | 180 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | D1083 K1084 V1096 L1100 | D1083-S1098 PolarHBondContact O-OG 3.02Å; K1084-S1098 PolarHBondContact O-N 2.71Å; K1084-S1098 VanDerWaalsContact O-N 3.15Å; V1096-S1098 WeakPolarHBondContact CG1-O 3.25Å; S1098-L1100 PolarHBondContact O-N 3.4Å |
| 1099 | P | 83.5 | Confident | 84.8 | Confident | 103 Ų | 103 | 57.3 Ų | 57.3 | 67% | 0.669 | 32% | 0.315 | S | S | * | . | trans | -54.3 | 134.9 | 179.8 | -22.3 | 31.8 | 0 | 0 | 0 | 111.8 | K1084 | K1084-P1099 PolarHBondContact NZ-O 3.25Š| ||
| 1100 | L | 83.8 | Confident | 84.8 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | trans | -95.4 | 138 | 176.7 | -63.1 | 173.9 | 0 | 0 | 0 | 108.5 | V1050 E1052 K1084 F1085 V1096 S1098 Y1108 | V1050-L1100 HydrophobicContact CB-CD1 4.14Å; V1050-L1100 HydrophobicContact CG1-CD1 3.63Å; E1052-L1100 CarbonylContact C-O 3.5Å; E1052-L1100 WeakPolarHBondContact CB-O 3.29Å; K1084-L1100 HydrophobicContact CB-CD2 4.23Å; F1085-L1100 HydrophobicContact CE1-CD1 4.29Å; F1085-L1100 HydrophobicContact CE1-CD2 4.17Å; F1085-L1100 HydrophobicContact CE2-CD2 4.19Å; F1085-L1100 HydrophobicContact CZ-CD1 4.31Å; F1085-L1100 HydrophobicContact CZ-CD2 3.64Å; V1096-L1100 HydrophobicContact CG1-CD1 4.22Å; V1096-L1100 HydrophobicContact CG1-CG 4.1Å; V1096-L1100 HydrophobicContact CG2-CD1 3.88Å; S1098-L1100 PolarHBondContact O-N 3.4Å; L1100-Y1108 HydrophobicContact CD2-CE2 4.06Å | ||
| 1101 | D | 82.4 | Confident | 84.9 | Confident | 63 Ų | 63 | 53.4 Ų | 53.4 | 34% | 0.337 | 28% | 0.282 | S | S | . | . | trans | -127.5 | 114.3 | 178.6 | 171 | 28.4 | 0 | 0 | 0 | 107 | E1103 T1104 R1105 | D1101-E1103 VanDerWaalsContact C-N 3.29Å; D1101-E1103 PolarHBondContact O-N 3.1Å; D1101-E1103 PolarHBondContact OD1-N 2.92Å; D1101-T1104 VanDerWaalsContact CB-OG1 3.29Å; D1101-T1104 WeakPolarHBondContact CB-OG1 3.04Å; D1101-T1104 PolarHBondContact O-OG1 3.38Å; D1101-T1104 VanDerWaalsContact O-OG1 3.14Å; D1101-T1104 WeakPolarHBondContact OD2-CB 3.17Å; D1101-T1104 VanDerWaalsContact OD2-CG2 3.28Å; D1101-T1104 WeakPolarHBondContact OD2-CG2 3.34Å; D1101-T1104 PolarHBondContact OD2-OG1 3.06Å; D1101-R1105 PolarHBondContact O-N 3.12Å | ||
| 1102 | Y | 80.4 | Confident | 84.9 | Confident | 75 Ų | 75 | 50 Ų | 50 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -29.9 | -172.4 | 176.3 | -83.7 | 0 | 0 | 0 | 111.4 | E1052 T1104 T1106 C1136 W1138 | E1052-Y1102 WeakPolarHBondContact OE2-CB 3.27Å; E1052-Y1102 PolarHBondContact OE2-N 2.76Å; Y1102-T1104 VanDerWaalsContact C-N 3.29Å; Y1102-T1104 PolarHBondContact O-N 3.4Å; Y1102-T1106 HydrophobicContact CD1-CG2 4.25Å; Y1102-T1106 HydrophobicContact CD2-CG2 4.44Å; Y1102-T1106 HydrophobicContact CE1-CG2 3.98Å; Y1102-T1106 HydrophobicContact CE2-CG2 4.11Å; Y1102-C1136 HydrophobicContact CD2-CB 3.68Å; Y1102-C1136 HydrophobicContact CE2-CB 4.47Å; Y1102-C1136 WeakPolarHBondContact CE2-O 3.39Å; Y1102-W1138 AromaticContact CD1-CD1 2.91Å; Y1102-W1138 AromaticContact CD1-CG 3.99Å; Y1102-W1138 HydrophobicContact CD1-CG 3.99Å; Y1102-W1138 AromaticContact CD1-NE1 3.15Å; Y1102-W1138 AromaticContact CE1-CD1 3.44Å; Y1102-W1138 VanDerWaalsContact CE1-CD1 3.44Å; Y1102-W1138 HydrophobicContact CE1-CG 4.15Å; Y1102-W1138 AromaticContact CE1-NE1 3.86Å; Y1102-W1138 AromaticContact CG-CD1 3.24Å; Y1102-W1138 HydrophobicContact CG-CG 4.39Å; Y1102-W1138 AromaticContact CG-NE1 3.75Å |
| 1103 | E | 80.8 | Confident | 84.8 | Confident | 116 Ų | 116 | 50.7 Ų | 50.7 | 54% | 0.542 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -33.3 | -177.5 | -76.5 | 80.3 | 141.6 | 0 | 0 | 111.5 | D1101 W1138 | D1101-E1103 VanDerWaalsContact C-N 3.29Å; D1101-E1103 PolarHBondContact O-N 3.1Å; D1101-E1103 PolarHBondContact OD1-N 2.92Å; E1103-W1138 HydrophobicContact CG-CZ2 4.17Å; E1103-W1138 WeakPolarHBondContact OE1-CZ2 3.44Å; E1103-W1138 PolarHBondContact OE2-NE1 2.93Å |
| 1104 | T | 80.3 | Confident | 84.2 | Confident | 108 Ų | 108 | 49.1 Ų | 49.1 | 66% | 0.663 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -41.6 | 177.2 | 36.7 | 0 | 0 | 0 | 0 | 112.8 | D1101 Y1102 | D1101-T1104 VanDerWaalsContact CB-OG1 3.29Å; D1101-T1104 WeakPolarHBondContact CB-OG1 3.04Å; D1101-T1104 PolarHBondContact O-OG1 3.38Å; D1101-T1104 VanDerWaalsContact O-OG1 3.14Å; D1101-T1104 WeakPolarHBondContact OD2-CB 3.17Å; D1101-T1104 VanDerWaalsContact OD2-CG2 3.28Å; D1101-T1104 WeakPolarHBondContact OD2-CG2 3.34Å; D1101-T1104 PolarHBondContact OD2-OG1 3.06Å; Y1102-T1104 VanDerWaalsContact C-N 3.29Å; Y1102-T1104 PolarHBondContact O-N 3.4Å |
| 1105 | R | 78.8 | Confident | 83.5 | Confident | 81 Ų | 81 | 49.4 Ų | 49.4 | 31% | 0.306 | 26% | 0.256 | S | S | . | . | trans | -150 | 110.1 | -177.7 | -165.2 | 162.5 | 178.4 | -179.8 | 1.9 | 112.1 | E1081 D1101 S1107 Y1108 | E1081-R1105 IonicContact OE2-NH1 2.64Å; D1101-R1105 PolarHBondContact O-N 3.12Å; R1105-S1107 WeakPolarHBondContact CG-O 3.4Å; R1105-S1107 PolarHBondContact NE-O 3.31Å; R1105-S1107 PolarHBondContact O-N 2.81Å; R1105-Y1108 HydrophobicContact CB-CE2 4.27Å; R1105-Y1108 HydrophobicContact CG-CE1 4.26Å; R1105-Y1108 HydrophobicContact CG-CE2 4.14Å | ||
| 1106 | T | 81.8 | Confident | 82.5 | Confident | 77 Ų | 77 | 45.9 Ų | 45.9 | 47% | 0.472 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -77.6 | -18.1 | -175.8 | 59 | 0 | 0 | 0 | 0 | 114.3 | Y1102 C1136 | Y1102-T1106 HydrophobicContact CD1-CG2 4.25Å; Y1102-T1106 HydrophobicContact CD2-CG2 4.44Å; Y1102-T1106 HydrophobicContact CE1-CG2 3.98Å; Y1102-T1106 HydrophobicContact CE2-CG2 4.11Å; T1106-C1136 PolarHBondContact O-N 2.88Å |
| 1107 | S | 83.6 | Confident | 81.3 | Confident | 51 Ų | 51 | 49.6 Ų | 49.6 | 36% | 0.357 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 154.4 | 177 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | R1105 I1134 | R1105-S1107 WeakPolarHBondContact CG-O 3.4Å; R1105-S1107 PolarHBondContact NE-O 3.31Å; R1105-S1107 PolarHBondContact O-N 2.81Å; S1107-I1134 CarbonylContact C-O 3.6Å; S1107-I1134 VanDerWaalsContact CA-O 3.26Å; S1107-I1134 WeakPolarHBondContact CA-O 3.29Å |
| 1108 | Y | 84.8 | Confident | 80 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.6 | 176.8 | -66.3 | -100.1 | 0 | 0 | 0 | 110.3 | K1084 F1085 L1100 R1105 V1133 I1134 | K1084-Y1108 HydrophobicContact CB-CE1 4.17Å; K1084-Y1108 HydrophobicContact CG-CE1 3.89Å; F1085-Y1108 HydrophobicContact CD2-CD1 4.37Å; F1085-Y1108 HydrophobicContact CD2-CG 4.35Å; F1085-Y1108 AromaticContact CE2-CD1 3.67Å; F1085-Y1108 HydrophobicContact CE2-CD1 3.67Å; F1085-Y1108 AromaticContact CE2-CD2 3.53Å; F1085-Y1108 HydrophobicContact CE2-CD2 3.53Å; F1085-Y1108 HydrophobicContact CE2-CE1 4.07Å; F1085-Y1108 AromaticContact CE2-CE2 3.98Å; F1085-Y1108 HydrophobicContact CE2-CE2 3.98Å; F1085-Y1108 AromaticContact CE2-CG 3.37Å; F1085-Y1108 HydrophobicContact CE2-CG 3.37Å; F1085-Y1108 AromaticContact CZ-CD2 3.75Å; F1085-Y1108 HydrophobicContact CZ-CD2 3.75Å; F1085-Y1108 HydrophobicContact CZ-CE2 4.17Å; F1085-Y1108 HydrophobicContact CZ-CG 4.04Å; L1100-Y1108 HydrophobicContact CD2-CE2 4.06Å; R1105-Y1108 HydrophobicContact CB-CE2 4.27Å; R1105-Y1108 HydrophobicContact CG-CE1 4.26Å; R1105-Y1108 HydrophobicContact CG-CE2 4.14Å; Y1108-V1133 CarbonylContact O-C 3.52Å; Y1108-V1133 WeakPolarHBondContact O-CA 3.21Å; Y1108-I1134 PolarHBondContact N-O 2.98Å; Y1108-I1134 PolarHBondContact O-N 2.78Å |
| 1109 | V | 86.2 | Confident | 78.7 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 42% | 0.418 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 100.2 | 174.9 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | G1079 L1131 S1132 V1133 | G1079-V1109 WeakPolarHBondContact CA-O 3.38Å; V1109-L1131 HydrophobicContact CG1-CD2 4.05Å; V1109-S1132 CarbonylContact C-O 3.53Å; V1109-S1132 WeakPolarHBondContact CA-O 3.35Å; V1109-V1133 HydrophobicContact CG1-CG2 4.22Å; V1109-V1133 HydrophobicContact CG2-CG1 4.26Å; V1109-V1133 HydrophobicContact CG2-CG2 4.15Å |
| 1110 | L | 86 | Confident | 77.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.1 | -179.1 | -54.9 | -172.9 | 0 | 0 | 0 | 109.7 | I1076 G1079 N1080 F1085 I1094 V1112 L1131 S1132 I1134 | I1076-L1110 HydrophobicContact CD1-CD1 4.23Å; G1079-L1110 WeakPolarHBondContact O-CD2 3.44Å; N1080-L1110 HydrophobicContact CB-CD2 3.89Å; F1085-L1110 HydrophobicContact CB-CD1 3.95Å; F1085-L1110 HydrophobicContact CD2-CD1 4.16Å; F1085-L1110 HydrophobicContact CD2-CD2 4.21Å; F1085-L1110 HydrophobicContact CG-CD1 4.08Å; I1094-L1110 HydrophobicContact CD1-CD1 4.39Å; I1094-L1110 HydrophobicContact CG2-CD1 4.02Å; L1110-V1112 HydrophobicContact CB-CG2 4.28Å; L1110-L1131 CarbonylContact O-C 3.58Å; L1110-S1132 PolarHBondContact N-O 3.33Å; L1110-S1132 PolarHBondContact O-N 2.79Å; L1110-I1134 HydrophobicContact CD1-CD1 3.48Å; L1110-I1134 VanDerWaalsContact CD1-CD1 3.48Å; L1110-I1134 HydrophobicContact CG-CD1 3.95Å |
| 1111 | R | 84.4 | Confident | 75.9 | Confident | 113 Ų | 113 | 57.9 Ų | 57.9 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.6 | 168.1 | -165.7 | 178.2 | -174.4 | 178 | 3.2 | 108.5 | V1077 A1078 L1131 | V1077-R1111 HydrophobicContact CG2-CB 4.15Å; V1077-R1111 HydrophobicContact CG2-CG 3.99Å; V1077-R1111 VanDerWaalsContact CG2-O 3.3Å; V1077-R1111 WeakPolarHBondContact CG2-O 3.47Å; V1077-R1111 PolarHBondContact N-O 2.84Å; A1078-R1111 HydrophobicContact CB-CB 4.02Å; A1078-R1111 PolarHBondContact N-O 3.36Å; A1078-R1111 PolarHBondContact O-N 3.36Å; R1111-L1131 HydrophobicContact CB-CD2 4.12Å; R1111-L1131 HydrophobicContact CG-CD2 4.14Å |
| 1112 | V | 84.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.9 | -174.7 | -156.2 | 0 | 0 | 0 | 0 | 110 | I1063 S1075 I1076 I1087 I1094 L1110 K1129 S1130 | I1063-V1112 HydrophobicContact CD1-CB 3.66Å; I1063-V1112 HydrophobicContact CD1-CG1 3.28Å; I1063-V1112 HydrophobicContact CD1-CG2 3.99Å; S1075-V1112 WeakPolarHBondContact O-CA 3.31Å; S1075-V1112 WeakPolarHBondContact O-CG1 3.34Å; I1076-V1112 HydrophobicContact CG1-CG1 4.47Å; I1076-V1112 HydrophobicContact CG1-CG2 4.46Å; I1087-V1112 HydrophobicContact CD1-CG1 3.65Å; I1094-V1112 HydrophobicContact CD1-CG2 4.47Å; L1110-V1112 HydrophobicContact CB-CG2 4.28Å; V1112-K1129 WeakPolarHBondContact O-CA 3.32Å; V1112-S1130 PolarHBondContact N-O 2.79Å; V1112-S1130 PolarHBondContact O-N 3.04Å |
| 1113 | Q | 82.5 | Confident | 73.2 | Confident | 13 Ų | 13 | 60 Ų | 60 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 138.5 | 179.8 | -178.2 | 170.1 | -53.2 | 0 | 0 | 109.9 | Y1074 S1075 V1077 D1115 P1127 S1128 | Y1074-Q1113 WeakPolarHBondContact CA-O 3.44Å; S1075-Q1113 PolarHBondContact N-O 2.86Å; S1075-Q1113 PolarHBondContact O-N 3.37Å; V1077-Q1113 HydrophobicContact CG1-CB 3.6Å; V1077-Q1113 HydrophobicContact CG1-CG 4.47Å; V1077-Q1113 HydrophobicContact CG2-CB 4.21Å; Q1113-D1115 VanDerWaalsContact NE2-CG 3.34Å; Q1113-D1115 PolarHBondContact NE2-OD1 2.84Å; Q1113-D1115 VanDerWaalsContact NE2-OD1 3.13Å; Q1113-D1115 PolarHBondContact NE2-OD2 2.04Å; Q1113-P1127 HydrophobicContact CG-CB 3.65Å; Q1113-P1127 VanDerWaalsContact NE2-CB 3.26Å; Q1113-S1128 VanDerWaalsContact CA-O 3.32Å; Q1113-S1128 WeakPolarHBondContact CA-O 3.46Å |
| 1114 | A | 77.6 | Confident | 72 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109 | P1038 F1040 A1065 I1072 V1073 Y1074 S1128 | P1038-A1114 HydrophobicContact CB-CB 3.94Å; F1040-A1114 HydrophobicContact CE1-CB 4.02Å; F1040-A1114 HydrophobicContact CE2-CB 3.71Å; F1040-A1114 HydrophobicContact CZ-CB 3.42Å; F1040-A1114 VanDerWaalsContact CZ-CB 3.42Å; A1065-A1114 HydrophobicContact CB-CB 3.67Å; I1072-A1114 HydrophobicContact CG2-CB 3.73Å; V1073-A1114 WeakPolarHBondContact O-CA 3.32Å; Y1074-A1114 HydrophobicContact CD1-CB 4.08Å; Y1074-A1114 HydrophobicContact CE1-CB 4.07Å; A1114-S1128 PolarHBondContact N-O 2.84Å; A1114-S1128 PolarHBondContact O-N 2.85Å |
| 1115 | D | 74.7 | Confident | 70.9 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 147.2 | 178.5 | -65.6 | -52.4 | 0 | 0 | 0 | 110.3 | I1072 V1073 Q1113 V1120 P1127 | I1072-D1115 CarbonylContact C-O 3.55Å; I1072-D1115 WeakPolarHBondContact CA-O 3.27Å; V1073-D1115 PolarHBondContact N-O 3.32Å; V1073-D1115 PolarHBondContact O-N 3.39Å; Q1113-D1115 VanDerWaalsContact NE2-CG 3.34Å; Q1113-D1115 PolarHBondContact NE2-OD1 2.84Å; Q1113-D1115 VanDerWaalsContact NE2-OD1 3.13Å; Q1113-D1115 PolarHBondContact NE2-OD2 2.04Å; D1115-V1120 HydrophobicContact CB-CG2 3.51Å; D1115-P1127 WeakPolarHBondContact OD1-CA 3.34Å; D1115-P1127 VanDerWaalsContact OD1-CB 3.29Å; D1115-P1127 WeakPolarHBondContact OD1-CB 3.38Å |
| 1116 | S | 70.4 | Confident | 70 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.028 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 135 | 172.5 | -50.5 | 0 | 0 | 0 | 0 | 110.2 | P1038 Q1070 E1118 V1119 V1120 | P1038-S1116 VanDerWaalsContact CG-OG 3.32Å; P1038-S1116 WeakPolarHBondContact CG-OG 2.99Å; Q1070-S1116 PolarHBondContact OE1-OG 2.84Å; S1116-E1118 VanDerWaalsContact C-N 3.26Å; S1116-E1118 PolarHBondContact O-N 3.13Å; S1116-V1119 WeakPolarHBondContact O-CA 3.41Å; S1116-V1119 VanDerWaalsContact O-CB 3.3Å; S1116-V1119 WeakPolarHBondContact O-CB 3.46Å; S1116-V1119 PolarHBondContact O-N 2.8Å; S1116-V1120 PolarHBondContact O-N 2.84Å |
| 1117 | L | 65.5 | Low | 69 | Low | 77 Ų | 77 | 53.1 Ų | 53.1 | 40% | 0.403 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.4 | -38.4 | -175.4 | -173.1 | 70.4 | 0 | 0 | 0 | 112.6 | S1071 V1073 V1119 V1120 L1121 | S1071-L1117 WeakPolarHBondContact O-CB 3.36Å; S1071-L1117 PolarHBondContact O-N 3.49Å; S1071-L1117 WeakPolarHBondContact OG-CB 3.09Å; S1071-L1117 VanDerWaalsContact OG-CD2 3.29Å; S1071-L1117 WeakPolarHBondContact OG-CD2 3.49Å; V1073-L1117 HydrophobicContact CG2-CB 4.09Å; V1073-L1117 HydrophobicContact CG2-CD1 3.44Å; V1073-L1117 VanDerWaalsContact CG2-CD1 3.44Å; V1073-L1117 HydrophobicContact CG2-CG 4.38Å; L1117-V1119 VanDerWaalsContact C-N 3.3Å; L1117-V1119 PolarHBondContact O-N 3.16Å; L1117-V1120 PolarHBondContact O-N 3.37Å; L1117-L1121 WeakPolarHBondContact O-CG 3.39Å; L1117-L1121 PolarHBondContact O-N 2.82Å; L1117-L1121 VanDerWaalsContact O-N 3.1Å |
| 1118 | E | 62.1 | Low | 68 | Low | 143 Ų | 143 | 52 Ų | 52 | 67% | 0.668 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.8 | -36.9 | 175.3 | -125.2 | 179 | 176.3 | 0 | 0 | 112.2 | S1116 A1122 | S1116-E1118 VanDerWaalsContact C-N 3.26Å; S1116-E1118 PolarHBondContact O-N 3.13Å; E1118-A1122 WeakPolarHBondContact O-CB 2.91Å; E1118-A1122 PolarHBondContact O-N 3.45Å |
| 1119 | V | 58.3 | Low | 67.1 | Low | 14 Ų | 14 | 56.7 Ų | 56.7 | 9% | 0.085 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.1 | -36.8 | 179.6 | 160.9 | 0 | 0 | 0 | 0 | 111.1 | M939 S1116 L1117 A1122 N1123 L1124 | M939-V1119 HydrophobicContact SD-CG2 4.25Å; S1116-V1119 WeakPolarHBondContact O-CA 3.41Å; S1116-V1119 VanDerWaalsContact O-CB 3.3Å; S1116-V1119 WeakPolarHBondContact O-CB 3.46Å; S1116-V1119 PolarHBondContact O-N 2.8Å; L1117-V1119 VanDerWaalsContact C-N 3.3Å; L1117-V1119 PolarHBondContact O-N 3.16Å; V1119-A1122 PolarHBondContact O-N 2.96Å; V1119-N1123 PolarHBondContact O-N 3.23Å; V1119-L1124 WeakPolarHBondContact CG1-O 3.4Å; V1119-L1124 PolarHBondContact O-N 3.45Å |
| 1120 | V | 54.5 | Low | 66.4 | Low | 52 Ų | 52 | 53.8 Ų | 53.8 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 173.7 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | D1115 S1116 L1117 A1122 N1123 | D1115-V1120 HydrophobicContact CB-CG2 3.51Å; S1116-V1120 PolarHBondContact O-N 2.84Å; L1117-V1120 PolarHBondContact O-N 3.37Å; V1120-A1122 VanDerWaalsContact C-N 3.27Å; V1120-A1122 PolarHBondContact O-N 3.39Å; V1120-N1123 PolarHBondContact O-N 2.83Å |
| 1121 | L | 55.3 | Low | 65.1 | Low | 145 Ų | 145 | 57.2 Ų | 57.2 | 76% | 0.759 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.2 | -29.8 | 177.9 | -74.7 | 166.4 | 0 | 0 | 0 | 112.9 | L1117 | L1117-L1121 WeakPolarHBondContact O-CG 3.39Å; L1117-L1121 PolarHBondContact O-N 2.82Å; L1117-L1121 VanDerWaalsContact O-N 3.1Å |
| 1122 | A | 53 | Low | 64.3 | Low | 53 Ų | 53 | 52 Ų | 52 | 44% | 0.438 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -3.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1118 V1119 V1120 L1124 | E1118-A1122 WeakPolarHBondContact O-CB 2.91Å; E1118-A1122 PolarHBondContact O-N 3.45Å; V1119-A1122 PolarHBondContact O-N 2.96Å; V1120-A1122 VanDerWaalsContact C-N 3.27Å; V1120-A1122 PolarHBondContact O-N 3.39Å; A1122-L1124 HydrophobicContact CB-CB 4.38Å; A1122-L1124 HydrophobicContact CB-CD1 3.77Å; A1122-L1124 HydrophobicContact CB-CG 4.1Å; A1122-L1124 WeakPolarHBondContact O-CG 3.4Å; A1122-L1124 PolarHBondContact O-N 3.5Å |
| 1123 | N | 52.3 | Low | 63.3 | Low | 131 Ų | 131 | 53.6 Ų | 53.6 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 20.6 | -172.9 | -106.1 | -4.4 | 0 | 0 | 0 | 114.7 | V1119 V1120 | V1119-N1123 PolarHBondContact O-N 3.23Å; V1120-N1123 PolarHBondContact O-N 2.83Å |
| 1124 | L | 56.2 | Low | 62.7 | Low | 25 Ų | 25 | 53 Ų | 53 | 13% | 0.131 | 28% | 0.279 | C | S | . | . | trans | -104 | 68.9 | -174.7 | -68.6 | 165.7 | 0 | 0 | 0 | 110.9 | K937 M939 V1119 A1122 | K937-L1124 HydrophobicContact CB-CD2 4.25Å; K937-L1124 WeakPolarHBondContact O-CD2 3.45Å; M939-L1124 HydrophobicContact CE-CB 4.44Å; M939-L1124 HydrophobicContact CE-CD1 3.75Å; M939-L1124 HydrophobicContact CG-CB 4.2Å; M939-L1124 HydrophobicContact CG-CD1 4.48Å; M939-L1124 HydrophobicContact SD-CB 3.76Å; M939-L1124 HydrophobicContact SD-CD1 4.16Å; V1119-L1124 WeakPolarHBondContact CG1-O 3.4Å; V1119-L1124 PolarHBondContact O-N 3.45Å; A1122-L1124 HydrophobicContact CB-CB 4.38Å; A1122-L1124 HydrophobicContact CB-CD1 3.77Å; A1122-L1124 HydrophobicContact CB-CG 4.1Å; A1122-L1124 WeakPolarHBondContact O-CG 3.4Å; A1122-L1124 PolarHBondContact O-N 3.5Å | ||
| 1125 | R | 55.9 | Low | 62.2 | Low | 137 Ų | 137 | 55.1 Ų | 55.1 | 52% | 0.517 | 29% | 0.293 | S | S | . | . | trans | -78.4 | 125 | -166 | -59.5 | -175.8 | -174.1 | -177.1 | -0.1 | 113.7 | ||||
| 1126 | V | 59.9 | Low | 61.5 | Low | 23 Ų | 23 | 55.2 Ų | 55.2 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | trans | -120.2 | 78.5 | 158.7 | -172.1 | 0 | 0 | 0 | 0 | 108.3 | M939 A941 L1032 I1037 | M939-V1126 HydrophobicContact CB-CG2 3.81Å; M939-V1126 WeakPolarHBondContact O-CG2 3.2Å; A941-V1126 HydrophobicContact CB-CG1 4.06Å; L1032-V1126 HydrophobicContact CD1-CB 3.74Å; L1032-V1126 HydrophobicContact CD1-CG1 4.24Å; L1032-V1126 HydrophobicContact CD1-CG2 3.55Å; I1037-V1126 HydrophobicContact CD1-CG1 4.46Å | ||
| 1127 | P | 62.2 | Low | 61.1 | Low | 52 Ų | 52 | 57.1 Ų | 57.1 | 34% | 0.338 | 31% | 0.308 | S | S | . | . | trans | -78.7 | 146.6 | -167.9 | 30.3 | -34.3 | 0 | 0 | 0 | 112.9 | Q1113 D1115 | Q1113-P1127 HydrophobicContact CG-CB 3.65Å; Q1113-P1127 VanDerWaalsContact NE2-CB 3.26Å; D1115-P1127 WeakPolarHBondContact OD1-CA 3.34Å; D1115-P1127 VanDerWaalsContact OD1-CB 3.29Å; D1115-P1127 WeakPolarHBondContact OD1-CB 3.38Å | ||
| 1128 | S | 62.3 | Low | 60 | Low | 26 Ų | 26 | 60 Ų | 60 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 144.4 | 167 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | P1038 Q1113 A1114 | P1038-S1128 WeakPolarHBondContact O-CB 3.17Å; P1038-S1128 PolarHBondContact O-OG 3.37Å; Q1113-S1128 VanDerWaalsContact CA-O 3.32Å; Q1113-S1128 WeakPolarHBondContact CA-O 3.46Å; A1114-S1128 PolarHBondContact N-O 2.84Å; A1114-S1128 PolarHBondContact O-N 2.85Å |
| 1129 | K | 65.3 | Low | 59 | Low | 103 Ų | 103 | 62.9 Ų | 62.9 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.9 | -172.1 | -61.1 | -179.6 | -177.3 | 178.1 | 0 | 110.9 | V1112 | V1112-K1129 WeakPolarHBondContact O-CA 3.32Å |
| 1130 | S | 71.5 | Confident | 58.1 | Low | 8 Ų | 8 | 67.9 Ų | 67.9 | 6% | 0.056 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 164.8 | 173.3 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | F1040 Q1042 E1043 V1112 | F1040-S1130 VanDerWaalsContact CG-CB 3.46Å; Q1042-S1130 PolarHBondContact O-OG 3.25Å; E1043-S1130 PolarHBondContact O-OG 2.74Å; V1112-S1130 PolarHBondContact N-O 2.79Å; V1112-S1130 PolarHBondContact O-N 3.04Å |
| 1131 | L | 60.1 | Low | 57.1 | Low | 73 Ų | 73 | 74.8 Ų | 74.8 | 38% | 0.382 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.4 | 178.5 | -70.6 | 163.2 | 0 | 0 | 0 | 110.4 | E1043 E1044 Y1045 V1109 L1110 R1111 | E1043-L1131 PolarHBondContact O-N 3.36Å; E1044-L1131 VanDerWaalsContact CA-O 3.24Å; E1044-L1131 WeakPolarHBondContact CA-O 3.32Å; E1044-L1131 HydrophobicContact CG-CB 4.5Å; Y1045-L1131 PolarHBondContact N-O 3.12Å; V1109-L1131 HydrophobicContact CG1-CD2 4.05Å; L1110-L1131 CarbonylContact O-C 3.58Å; R1111-L1131 HydrophobicContact CB-CD2 4.12Å; R1111-L1131 HydrophobicContact CG-CD2 4.14Å |
| 1132 | S | 67.6 | Low | 56 | Low | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.014 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 122.5 | 175.9 | -62.7 | 0 | 0 | 0 | 0 | 110 | Y1045 V1109 L1110 | Y1045-S1132 CarbonylContact O-C 3.6Å; Y1045-S1132 VanDerWaalsContact O-CA 3.32Å; Y1045-S1132 WeakPolarHBondContact O-CA 3.46Å; V1109-S1132 CarbonylContact C-O 3.53Å; V1109-S1132 WeakPolarHBondContact CA-O 3.35Å; L1110-S1132 PolarHBondContact N-O 3.33Å; L1110-S1132 PolarHBondContact O-N 2.79Å |
| 1133 | V | 62.3 | Low | 54.9 | Low | 34 Ų | 34 | 77.5 Ų | 77.5 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.9 | -177.4 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | Y1045 R1046 P1047 Y1108 V1109 P1135 | Y1045-V1133 PolarHBondContact O-N 2.66Å; R1046-V1133 HydrophobicContact CG-CB 4.47Å; P1047-V1133 WeakPolarHBondContact CD-O 3.44Å; Y1108-V1133 CarbonylContact O-C 3.52Å; Y1108-V1133 WeakPolarHBondContact O-CA 3.21Å; V1109-V1133 HydrophobicContact CG1-CG2 4.22Å; V1109-V1133 HydrophobicContact CG2-CG1 4.26Å; V1109-V1133 HydrophobicContact CG2-CG2 4.15Å; V1133-P1135 WeakPolarHBondContact O-CD 3.03Å |
| 1134 | I | 70.7 | Confident | 53.8 | Low | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.005 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 110.1 | -176.8 | -56.9 | 162.7 | 0 | 0 | 0 | 109.9 | P1047 V1050 V1060 F1085 I1094 S1107 Y1108 L1110 | P1047-I1134 HydrophobicContact CG-CB 4.46Å; P1047-I1134 HydrophobicContact CG-CG1 3.8Å; V1050-I1134 HydrophobicContact CG2-CG2 3.97Å; V1060-I1134 HydrophobicContact CG1-CB 4.27Å; V1060-I1134 HydrophobicContact CG1-CD1 3.76Å; V1060-I1134 HydrophobicContact CG1-CG1 3.72Å; V1060-I1134 HydrophobicContact CG1-CG2 3.53Å; F1085-I1134 HydrophobicContact CD1-CD1 3.95Å; F1085-I1134 HydrophobicContact CD2-CD1 4.32Å; F1085-I1134 HydrophobicContact CE1-CD1 3.89Å; F1085-I1134 HydrophobicContact CE1-CG2 4.14Å; F1085-I1134 HydrophobicContact CE2-CD1 4.3Å; F1085-I1134 HydrophobicContact CG-CD1 4.16Å; F1085-I1134 HydrophobicContact CZ-CD1 4.06Å; F1085-I1134 HydrophobicContact CZ-CG2 4.09Å; I1094-I1134 HydrophobicContact CG2-CD1 4.26Å; S1107-I1134 CarbonylContact C-O 3.6Å; S1107-I1134 VanDerWaalsContact CA-O 3.26Å; S1107-I1134 WeakPolarHBondContact CA-O 3.29Å; Y1108-I1134 PolarHBondContact N-O 2.98Å; Y1108-I1134 PolarHBondContact O-N 2.78Å; L1110-I1134 HydrophobicContact CD1-CD1 3.48Å; L1110-I1134 VanDerWaalsContact CD1-CD1 3.48Å; L1110-I1134 HydrophobicContact CG-CD1 3.95Å |
| 1135 | P | 65.3 | Low | 52.6 | Low | 45 Ų | 45 | 85.5 Ų | 85.5 | 29% | 0.292 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 142.1 | 172 | 27 | -25.8 | 0 | 0 | 0 | 112.7 | P1049 V1050 V1133 | P1049-P1135 CarbonylContact C-O 3.56Å; P1049-P1135 WeakPolarHBondContact CA-O 3.28Å; P1049-P1135 HydrophobicContact CB-CG 4.33Å; P1049-P1135 HydrophobicContact CG-CG 4.15Å; V1050-P1135 PolarHBondContact N-O 3.17Å; V1133-P1135 WeakPolarHBondContact O-CD 3.03Å |
| 1136 | C | 61.8 | Low | 51.2 | Low | 11 Ų | 11 | 87.5 Ų | 87.5 | 7% | 0.074 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 159.6 | 170 | -72 | 0 | 0 | 0 | 0 | 111 | V1050 Y1102 T1106 | V1050-C1136 CarbonylContact O-C 3.49Å; V1050-C1136 VanDerWaalsContact O-CA 3.3Å; V1050-C1136 WeakPolarHBondContact O-CA 3.04Å; Y1102-C1136 HydrophobicContact CD2-CB 3.68Å; Y1102-C1136 HydrophobicContact CE2-CB 4.47Å; Y1102-C1136 WeakPolarHBondContact CE2-O 3.39Å; T1106-C1136 PolarHBondContact O-N 2.88Å |
| 1137 | S | 60.4 | Low | 49.7 | Very low | 45 Ų | 45 | 89.7 Ų | 89.7 | 32% | 0.315 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 144.6 | 177.2 | 65.2 | 0 | 0 | 0 | 0 | 114.8 | V1050 | V1050-S1137 PolarHBondContact O-N 3.33Å |
| 1138 | W | 42.2 | Very low | 48.1 | Very low | 137 Ų | 137 | 94.8 Ų | 94.8 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | trans | -82.3 | 149.7 | 179.1 | -110.9 | 49.2 | 0 | 0 | 0 | 115.2 | Y1102 E1103 T1140 | Y1102-W1138 AromaticContact CD1-CD1 2.91Å; Y1102-W1138 AromaticContact CD1-CG 3.99Å; Y1102-W1138 HydrophobicContact CD1-CG 3.99Å; Y1102-W1138 AromaticContact CD1-NE1 3.15Å; Y1102-W1138 AromaticContact CE1-CD1 3.44Å; Y1102-W1138 VanDerWaalsContact CE1-CD1 3.44Å; Y1102-W1138 HydrophobicContact CE1-CG 4.15Å; Y1102-W1138 AromaticContact CE1-NE1 3.86Å; Y1102-W1138 AromaticContact CG-CD1 3.24Å; Y1102-W1138 HydrophobicContact CG-CG 4.39Å; Y1102-W1138 AromaticContact CG-NE1 3.75Å; E1103-W1138 HydrophobicContact CG-CZ2 4.17Å; E1103-W1138 WeakPolarHBondContact OE1-CZ2 3.44Å; E1103-W1138 PolarHBondContact OE2-NE1 2.93Å; W1138-T1140 HydrophobicContact CE3-CG2 4.28Å; W1138-T1140 HydrophobicContact CZ3-CG2 4.31Å | ||
| 1139 | R | 43 | Very low | 46.4 | Very low | 204 Ų | 204 | 101.1 Ų | 101.1 | 77% | 0.77 | 54% | 0.539 | S | S | * | . | trans | -137.9 | 110.6 | 171.9 | -156.9 | 179 | -169.7 | 178.7 | 3.7 | 114 | ||||
| 1140 | T | 37.9 | Very low | 44.6 | Very low | 119 Ų | 119 | 103.3 Ų | 103.3 | 73% | 0.73 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -81 | 126.7 | 177.3 | 39 | 0 | 0 | 0 | 0 | 114.2 | W1138 | W1138-T1140 HydrophobicContact CE3-CG2 4.28Å; W1138-T1140 HydrophobicContact CZ3-CG2 4.31Å |
| 1141 | Q | 34.4 | Very low | 42.7 | Very low | 197 Ų | 197 | 106.6 Ų | 106.6 | 92% | 0.921 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 137 | 169.3 | -91.2 | -159.9 | -21.3 | 0 | 0 | 112.4 | ||
| 1142 | V | 32.3 | Very low | 41.2 | Very low | 144 Ų | 144 | 109.6 Ų | 109.6 | 87% | 0.873 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 134.3 | -179.9 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1143 | S | 28.9 | Very low | 40.2 | Very low | 110 Ų | 110 | 114.7 Ų | 114.7 | 77% | 0.769 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -66 | 147.3 | -175.7 | 50.8 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1144 | K | 30.2 | Very low | 38.8 | Very low | 210 Ų | 210 | 120.1 Ų | 120.1 | 91% | 0.913 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 137 | 171.9 | -89.3 | 173.9 | 171.4 | 173.5 | 0 | 114.6 | ||
| 1145 | S | 31 | Very low | 37 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 137 | 153.4 | 57.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1146 | L | 27 | Very low | 35.2 | Very low | 179 Ų | 179 | 131.5 Ų | 131.5 | 94% | 0.937 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -60 | 152.1 | 175.8 | -84.6 | 83.8 | 0 | 0 | 0 | 114.4 | ||
| 1147 | G | 26.9 | Very low | 33.7 | Very low | 69 Ų | 69 | 136.9 Ų | 136.9 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 150.6 | 111.7 | 143 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1148 | L | 29.6 | Very low | 32.1 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | 88 | 98.6 | 161.9 | -63.1 | 149.4 | 0 | 0 | 0 | 117 | ||||
| 1149 | E | 25.9 | Very low | 31.5 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | 66.5 | 133.2 | 84.1 | -81.2 | -162.7 | 143.2 | 0 | 0 | 113.1 | |||||
| 1150 | L | 27.7 | Very low | 30.8 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | cis | -168.2 | 149.5 | 11.6 | -100.3 | 154.3 | 0 | 0 | 0 | 106.9 | ||||
| 1151 | G | 30.7 | Very low | 30.3 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | 153.1 | 116.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1152 | V | 28.7 | Very low | 30.1 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | -103.7 | -169.3 | -159.8 | -153.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1153 | P | 46.9 | Very low | 29.9 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | -117.2 | 168.1 | -108.6 | 40.9 | -23.9 | 0 | 0 | 0 | 115.6 | |||||
| 1154 | V | 33.7 | Very low | 29.9 | Very low | 148 Ų | 148 | 140 Ų | 140 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -145 | 145.2 | 146.6 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1155 | S | 31.7 | Very low | 29.8 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -76.5 | 157.7 | -156.2 | 46.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1156 | H | 27.9 | Very low | 29.7 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | -53 | 145.7 | 168.2 | -70.1 | -98.2 | 0 | 0 | 0 | 116.4 | ||||
| 1157 | S | 30.5 | Very low | 29.9 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -145 | 102.9 | 135.2 | 49.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1158 | V | 26.4 | Very low | 30.2 | Very low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -103.5 | 118.6 | 166.3 | 170.8 | 0 | 0 | 0 | 0 | 105 | ||||
| 1159 | E | 29.7 | Very low | 30.4 | Very low | 199 Ų | 199 | 138 Ų | 138 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -122.9 | 112.7 | 161.6 | -124.1 | 176.1 | -171.1 | 0 | 0 | 108.5 | ||||
| 1160 | S | 28.8 | Very low | 30.6 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | trans | -74.6 | 122.6 | 176.9 | 47.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1161 | G | 28.5 | Very low | 30.8 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -118 | 79 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | R1163 | G1161-R1163 PolarHBondContact O-N 2.93Š| ||
| 1162 | T | 29.6 | Very low | 30.8 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -74.3 | 115 | 168.9 | 30.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1163 | R | 27.7 | Very low | 30.9 | Very low | 252 Ų | 252 | 133.8 Ų | 133.8 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | trans | -101.6 | 103.1 | 171.5 | -145.6 | 177.5 | -168.8 | -179.8 | 2.6 | 108 | G1161 | G1161-R1163 PolarHBondContact O-N 2.93Š| ||
| 1164 | T | 29.8 | Very low | 30.1 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -100.3 | 110.7 | 173.3 | 48.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1165 | G | 27.4 | Very low | 30 | Very low | 62 Ų | 62 | 134.9 Ų | 134.9 | 64% | 0.639 | 82% | 0.816 | S | S | * | * | trans | -131.1 | 111.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1166 | S | 27.8 | Very low | 29.9 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | 77 | 106.8 | 81.9 | 69 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1167 | S | 32.6 | Very low | 30 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | -162.7 | 89.5 | 154.1 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1168 | T | 33.4 | Very low | 30 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -82 | 117.4 | 171.8 | 17.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 1169 | R | 32.4 | Very low | 30.2 | Very low | 243 Ų | 243 | 142.2 Ų | 142.2 | 92% | 0.917 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 121.7 | 175.9 | -111.6 | 175.6 | 173 | 176.8 | -3 | 110.1 | ||
| 1170 | A | 31.5 | Very low | 30.2 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -69 | 127.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1171 | A | 31.6 | Very low | 30.3 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 77% | 0.769 | 84% | 0.844 | S | S | * | * | trans | -106.2 | 111.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1172 | S | 30 | Very low | 30.4 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 84% | 0.839 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 116.3 | 168.7 | 41 | 0 | 0 | 0 | 0 | 108.9 | ||
| 1173 | V | 31.4 | Very low | 30.5 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 71% | 0.709 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 121.6 | 171.2 | 175 | 0 | 0 | 0 | 0 | 106.8 | I1175 | V1173-I1175 HydrophobicContact CG1-CG1 4.24Š|
| 1174 | P | 30.4 | Very low | 30.7 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 125.8 | 172.7 | 31.5 | -27.4 | 0 | 0 | 0 | 109.4 | ||
| 1175 | I | 30.3 | Very low | 30.7 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 78% | 0.779 | 84% | 0.842 | S | S | * | * | trans | -117.5 | 141.8 | 169.9 | -61 | 177.1 | 0 | 0 | 0 | 106.5 | V1173 | V1173-I1175 HydrophobicContact CG1-CG1 4.24Š| ||
| 1176 | H | 30.2 | Very low | 31 | Very low | 260 Ų | 260 | 145.5 Ų | 145.5 | 100% | 1.204 | 86% | 0.861 | S | S | * | * | trans | -37.1 | 0 | 168.4 | -100.4 | -65.7 | 0 | 0 | 0 | 115.1 |
Retrieved 1,176 of 1,176 residues in 317.8 ms
(Link to these results)