| 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 | R | 47.3 | Very low | 56.6 | Low | 297 Ų | 297 | 117 Ų | 117 | 100% | 1.121 | 59% | 0.592 | S | S | * | * | 0 | 107.9 | 0 | -88.5 | -178.9 | 177.5 | 175.8 | -1.6 | 106.3 | |||||
| 2 | M | 40.5 | Very low | 56.9 | Low | 129 Ų | 129 | 112.8 Ų | 112.8 | 64% | 0.635 | 58% | 0.576 | S | S | * | * | trans | -64.6 | 131.6 | 176.4 | -145 | 161.4 | 90.4 | 0 | 0 | 107.8 | E6 A7 | M2-E6 HydrophobicContact CG-CB 3.93Å; M2-A7 HydrophobicContact CE-CB 3.75Å | ||
| 3 | T | 69.9 | Low | 56.9 | Low | 72 Ų | 72 | 108.2 Ų | 108.2 | 44% | 0.442 | 56% | 0.56 | S | S | . | * | trans | -74.1 | 150.5 | 179 | 62.2 | 0 | 0 | 0 | 0 | 109.7 | S5 E6 A7 | T3-S5 PolarHBondContact O-N 3.01Å; T3-S5 PolarHBondContact OG1-OG 3.36Å; T3-E6 PolarHBondContact N-OE2 3.07Å; T3-E6 PolarHBondContact O-N 3.2Å; T3-E6 VanDerWaalsContact OG1-CD 3.28Å; T3-E6 WeakPolarHBondContact OG1-CG 3.37Å; T3-E6 PolarHBondContact OG1-OE2 3.14Å; T3-A7 PolarHBondContact O-N 3.06Å | ||
| 4 | L | 51.5 | Low | 57 | Low | 163 Ų | 163 | 106.4 Ų | 106.4 | 85% | 0.853 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -54.8 | -28.5 | -178.3 | -151.3 | 94.5 | 0 | 0 | 0 | 112.2 | L8 | L4-L8 WeakPolarHBondContact O-CB 3.33Å; L4-L8 PolarHBondContact O-N 3.21Å; L4-L8 VanDerWaalsContact O-N 3.11Å |
| 5 | S | 52.6 | Low | 56.6 | Low | 85 Ų | 85 | 108.3 Ų | 108.3 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -72.6 | -36.3 | 177.1 | 85.1 | 0 | 0 | 0 | 0 | 113.5 | T3 L8 F9 | T3-S5 PolarHBondContact O-N 3.01Å; T3-S5 PolarHBondContact OG1-OG 3.36Å; S5-L8 PolarHBondContact O-N 2.75Å; S5-F9 WeakPolarHBondContact O-CB 3.34Å; S5-F9 PolarHBondContact O-N 2.03Å |
| 6 | E | 50.5 | Low | 56.2 | Low | 97 Ų | 97 | 109.3 Ų | 109.3 | 45% | 0.453 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.7 | -36.5 | 177.6 | -70 | 165.8 | 148.7 | 0 | 0 | 110.9 | M2 T3 C10 | M2-E6 HydrophobicContact CG-CB 3.93Å; T3-E6 PolarHBondContact N-OE2 3.07Å; T3-E6 PolarHBondContact O-N 3.2Å; T3-E6 VanDerWaalsContact OG1-CD 3.28Å; T3-E6 WeakPolarHBondContact OG1-CG 3.37Å; T3-E6 PolarHBondContact OG1-OE2 3.14Å; E6-C10 WeakPolarHBondContact O-CB 3.28Å; E6-C10 PolarHBondContact O-N 3.36Å; E6-C10 PolarHBondContact O-SG 3.04Å |
| 7 | A | 62.1 | Low | 55.4 | Low | 33 Ų | 33 | 115.1 Ų | 115.1 | 27% | 0.273 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.5 | -42.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M2 T3 C10 L11 | M2-A7 HydrophobicContact CE-CB 3.75Å; T3-A7 PolarHBondContact O-N 3.06Å; A7-C10 PolarHBondContact O-N 2.94Å; A7-L11 WeakPolarHBondContact O-CB 3.47Å; A7-L11 WeakPolarHBondContact O-CD1 3.49Å; A7-L11 WeakPolarHBondContact O-CG 3.09Å; A7-L11 PolarHBondContact O-N 3.15Å |
| 8 | L | 61.2 | Low | 54.8 | Low | 116 Ų | 116 | 114.3 Ų | 114.3 | 61% | 0.607 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.1 | -40.6 | 177.8 | -157 | 76.4 | 0 | 0 | 0 | 111.5 | L4 S5 L11 T12 | L4-L8 WeakPolarHBondContact O-CB 3.33Å; L4-L8 PolarHBondContact O-N 3.21Å; L4-L8 VanDerWaalsContact O-N 3.11Å; S5-L8 PolarHBondContact O-N 2.75Å; L8-L11 PolarHBondContact O-N 3.02Å; L8-T12 WeakPolarHBondContact O-CG2 3.13Å; L8-T12 PolarHBondContact O-N 3.4Å; L8-T12 PolarHBondContact O-OG1 2.8Å |
| 9 | F | 66.3 | Low | 54.1 | Low | 137 Ų | 137 | 118.1 Ų | 118.1 | 60% | 0.601 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.8 | -44.5 | 176.8 | -171.5 | -101.2 | 0 | 0 | 0 | 112.1 | S5 L11 T12 C13 | S5-F9 WeakPolarHBondContact O-CB 3.34Å; S5-F9 PolarHBondContact O-N 2.03Å; F9-L11 PolarHBondContact O-N 3.38Å; F9-T12 WeakPolarHBondContact CA-OG1 2.97Å; F9-T12 PolarHBondContact O-N 3.31Å; F9-T12 PolarHBondContact O-OG1 3.12Å; F9-C13 PolarHBondContact O-N 3.38Å; F9-C13 PolarHBondContact O-SG 3.05Å |
| 10 | C | 59.5 | Low | 53.4 | Low | 66 Ų | 66 | 116.2 Ų | 116.2 | 45% | 0.446 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.3 | -42.2 | 175.6 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | E6 A7 C13 V14 | E6-C10 WeakPolarHBondContact O-CB 3.28Å; E6-C10 PolarHBondContact O-N 3.36Å; E6-C10 PolarHBondContact O-SG 3.04Å; A7-C10 PolarHBondContact O-N 2.94Å; C10-C13 PolarHBondContact O-N 3.33Å; C10-V14 WeakPolarHBondContact O-CG2 3.32Å; C10-V14 PolarHBondContact O-N 3.19Å |
| 11 | L | 61.1 | Low | 52.4 | Low | 92 Ų | 92 | 118 Ų | 118 | 48% | 0.482 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.4 | -46.4 | 174.4 | -83.6 | 158.9 | 0 | 0 | 0 | 111.2 | A7 L8 F9 C13 V14 F15 | A7-L11 WeakPolarHBondContact O-CB 3.47Å; A7-L11 WeakPolarHBondContact O-CD1 3.49Å; A7-L11 WeakPolarHBondContact O-CG 3.09Å; A7-L11 PolarHBondContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 3.02Å; F9-L11 PolarHBondContact O-N 3.38Å; L11-C13 VanDerWaalsContact C-N 3.3Å; L11-C13 PolarHBondContact O-N 2.89Å; L11-V14 PolarHBondContact O-N 2.86Å; L11-F15 HydrophobicContact CB-CD2 4.4Å; L11-F15 HydrophobicContact CB-CE2 4.29Å; L11-F15 HydrophobicContact CD2-CE2 3.92Å; L11-F15 WeakPolarHBondContact O-CD2 3.42Å; L11-F15 PolarHBondContact O-N 2.9Å |
| 12 | T | 61.1 | Low | 51.6 | Low | 66 Ų | 66 | 111.6 Ų | 111.6 | 41% | 0.405 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.6 | -36.1 | 177 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | L8 F9 F15 L16 | L8-T12 WeakPolarHBondContact O-CG2 3.13Å; L8-T12 PolarHBondContact O-N 3.4Å; L8-T12 PolarHBondContact O-OG1 2.8Å; F9-T12 WeakPolarHBondContact CA-OG1 2.97Å; F9-T12 PolarHBondContact O-N 3.31Å; F9-T12 PolarHBondContact O-OG1 3.12Å; T12-F15 PolarHBondContact O-N 3.03Å; T12-L16 WeakPolarHBondContact O-CB 3.08Å; T12-L16 WeakPolarHBondContact O-CD1 3.31Å; T12-L16 WeakPolarHBondContact O-CG 3.39Å; T12-L16 PolarHBondContact O-N 3.01Å |
| 13 | C | 55.8 | Low | 51.1 | Low | 54 Ų | 54 | 112.4 Ų | 112.4 | 37% | 0.365 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.4 | -38.9 | 175.8 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | F9 C10 L11 L16 W17 | F9-C13 PolarHBondContact O-N 3.38Å; F9-C13 PolarHBondContact O-SG 3.05Å; C10-C13 PolarHBondContact O-N 3.33Å; L11-C13 VanDerWaalsContact C-N 3.3Å; L11-C13 PolarHBondContact O-N 2.89Å; C13-L16 PolarHBondContact O-N 3.32Å; C13-W17 WeakPolarHBondContact O-CB 3.26Å; C13-W17 PolarHBondContact O-N 3.26Å |
| 14 | V | 59.1 | Low | 49.4 | Very low | 82 Ų | 82 | 116.6 Ų | 116.6 | 50% | 0.497 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.8 | -39 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | C10 L11 L16 W17 N18 | C10-V14 WeakPolarHBondContact O-CG2 3.32Å; C10-V14 PolarHBondContact O-N 3.19Å; L11-V14 PolarHBondContact O-N 2.86Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-W17 PolarHBondContact O-N 2.98Å; V14-N18 PolarHBondContact O-N 3.24Å |
| 15 | F | 51.3 | Low | 48.2 | Very low | 136 Ų | 136 | 115.8 Ų | 115.8 | 60% | 0.596 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.5 | -32.4 | 173.8 | -76.4 | -63.9 | 0 | 0 | 0 | 112.9 | L11 T12 K19 | L11-F15 HydrophobicContact CB-CD2 4.4Å; L11-F15 HydrophobicContact CB-CE2 4.29Å; L11-F15 HydrophobicContact CD2-CE2 3.92Å; L11-F15 WeakPolarHBondContact O-CD2 3.42Å; L11-F15 PolarHBondContact O-N 2.9Å; T12-F15 PolarHBondContact O-N 3.03Å; F15-K19 PolarHBondContact O-N 2.83Å |
| 16 | L | 49.6 | Very low | 46.9 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 64% | 0.644 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.3 | -33.7 | 172.8 | -71.8 | 168.8 | 0 | 0 | 0 | 111.9 | T12 C13 V14 K19 A20 | T12-L16 WeakPolarHBondContact O-CB 3.08Å; T12-L16 WeakPolarHBondContact O-CD1 3.31Å; T12-L16 WeakPolarHBondContact O-CG 3.39Å; T12-L16 PolarHBondContact O-N 3.01Å; C13-L16 PolarHBondContact O-N 3.32Å; V14-L16 VanDerWaalsContact C-N 3.34Å; L16-K19 PolarHBondContact O-N 3.07Å; L16-A20 PolarHBondContact O-N 2.05Å |
| 17 | W | 43.1 | Very low | 45.5 | Very low | 209 Ų | 209 | 121.9 Ų | 121.9 | 79% | 0.792 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.4 | -44.4 | 174.1 | -163.1 | -74.7 | 0 | 0 | 0 | 111.9 | C13 V14 K19 A20 | C13-W17 WeakPolarHBondContact O-CB 3.26Å; C13-W17 PolarHBondContact O-N 3.26Å; V14-W17 PolarHBondContact O-N 2.98Å; W17-K19 PolarHBondContact O-N 2.74Å; W17-A20 WeakPolarHBondContact O-CB 3.38Å; W17-A20 PolarHBondContact O-N 2.83Å |
| 18 | N | 45 | Very low | 43.8 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 54% | 0.535 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -68.5 | -18.5 | 176.3 | -76.2 | -15.7 | 0 | 0 | 0 | 113.5 | V14 A20 | V14-N18 PolarHBondContact O-N 3.24Å; N18-A20 VanDerWaalsContact C-N 3.33Å |
| 19 | K | 41.3 | Very low | 42.4 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 81% | 0.813 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -5.9 | 171.3 | -78.9 | -161.2 | 177.7 | -174.3 | 0 | 113.8 | F15 L16 W17 | F15-K19 PolarHBondContact O-N 2.83Å; L16-K19 PolarHBondContact O-N 3.07Å; W17-K19 PolarHBondContact O-N 2.74Å |
| 20 | A | 38.6 | Very low | 40.6 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 65% | 0.653 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 2.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L16 W17 N18 M22 | L16-A20 PolarHBondContact O-N 2.05Å; W17-A20 WeakPolarHBondContact O-CB 3.38Å; W17-A20 PolarHBondContact O-N 2.83Å; N18-A20 VanDerWaalsContact C-N 3.33Å; A20-M22 PolarHBondContact O-N 3.45Å |
| 21 | E | 33.8 | Very low | 39.5 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | trans | -77.4 | 94.2 | 171.1 | -156.7 | 157.4 | -156.2 | 0 | 0 | 108.8 | N23 | E21-N23 PolarHBondContact O-N 2.98Å; E21-N23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | M | 30 | Very low | 38.5 | Very low | 163 Ų | 163 | 137 Ų | 137 | 80% | 0.803 | 70% | 0.695 | S | S | * | * | trans | -61.9 | 108.1 | 173.6 | -168.5 | 160.4 | 73.2 | 0 | 0 | 107.8 | A20 D24 | A20-M22 PolarHBondContact O-N 3.45Å; M22-D24 PolarHBondContact O-N 2.89Å | ||
| 23 | N | 29.9 | Very low | 38 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | trans | -52.4 | 106.8 | 163.7 | -74.1 | -28.1 | 0 | 0 | 0 | 107.9 | E21 L25 | E21-N23 PolarHBondContact O-N 2.98Å; E21-N23 VanDerWaalsContact O-N 3.13Å; N23-L25 PolarHBondContact O-N 3.05Å | ||
| 24 | D | 35.3 | Very low | 38.4 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 86% | 0.861 | 69% | 0.686 | S | S | * | * | trans | -70.1 | 81.8 | 162 | -122 | -5.7 | 0 | 0 | 0 | 106.3 | M22 E26 | M22-D24 PolarHBondContact O-N 2.89Å; D24-E26 PolarHBondContact O-N 3.14Å | ||
| 25 | L | 25 | Very low | 38.9 | Very low | 146 Ų | 146 | 135 Ų | 135 | 76% | 0.764 | 67% | 0.668 | S | S | * | * | trans | -85.1 | 103.8 | 173.7 | -168.6 | 72.6 | 0 | 0 | 0 | 107.3 | N23 | N23-L25 PolarHBondContact O-N 3.05Š| ||
| 26 | E | 25.6 | Very low | 40.2 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 79% | 0.794 | 65% | 0.651 | S | S | * | * | trans | 11.5 | 106.6 | 160.1 | -65.1 | -172.8 | 154.2 | 0 | 0 | 115.7 | D24 F28 | D24-E26 PolarHBondContact O-N 3.14Å; E26-F28 PolarHBondContact O-N 3.5Å | ||
| 27 | T | 22 | Very low | 41.5 | Very low | 140 Ų | 140 | 128.4 Ų | 128.4 | 86% | 0.859 | 64% | 0.638 | S | S | * | * | trans | -70.6 | 81.3 | 162.3 | 50.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 28 | F | 25.9 | Very low | 43.3 | Very low | 190 Ų | 190 | 119.1 Ų | 119.1 | 83% | 0.833 | 61% | 0.606 | S | S | * | * | trans | -79.3 | 115.3 | 154.9 | -140.2 | -94.3 | 0 | 0 | 0 | 107.3 | E26 D30 | E26-F28 PolarHBondContact O-N 3.5Å; F28-D30 PolarHBondContact O-N 3.14Å | ||
| 29 | V | 30.7 | Very low | 45.1 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 76% | 0.758 | 60% | 0.603 | S | S | * | * | trans | -66.1 | 99.6 | -179.1 | 176.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 30 | D | 29.1 | Very low | 47 | Very low | 131 Ų | 131 | 112.7 Ų | 112.7 | 70% | 0.701 | 58% | 0.583 | S | S | * | * | trans | -101.7 | 136.9 | 169.6 | -164.1 | 15.6 | 0 | 0 | 0 | 111.6 | F28 K32 | F28-D30 PolarHBondContact O-N 3.14Å; D30-K32 PolarHBondContact O-N 3.46Å | ||
| 31 | H | 36.8 | Very low | 49.2 | Very low | 137 Ų | 137 | 110.9 Ų | 110.9 | 63% | 0.634 | 57% | 0.572 | S | S | * | * | trans | -72.5 | 96.4 | -162.6 | -79.4 | 71.4 | 0 | 0 | 0 | 113 | K33 K131 | H31-K33 PolarHBondContact O-N 2.67Å; H31-K33 VanDerWaalsContact O-N 3.12Å; H31-K131 PolarHBondContact O-NZ 2.78Å | ||
| 32 | K | 38.9 | Very low | 51.8 | Low | 179 Ų | 179 | 105 Ų | 105 | 78% | 0.778 | 55% | 0.552 | S | S | * | * | trans | -69.4 | 32.7 | -174.3 | -113.8 | 179.2 | -173.8 | 174 | 0 | 119 | D30 | D30-K32 PolarHBondContact O-N 3.46Š| ||
| 33 | K | 51.6 | Low | 54.8 | Low | 133 Ų | 133 | 101.3 Ų | 101.3 | 58% | 0.578 | 54% | 0.543 | S | S | * | . | trans | -140.5 | 98.4 | -176.2 | -70.1 | -173.7 | -173.9 | 177 | 0 | 114.4 | H31 F35 | H31-K33 PolarHBondContact O-N 2.67Å; H31-K33 VanDerWaalsContact O-N 3.12Å; K33-F35 PolarHBondContact O-N 2.71Å; K33-F35 VanDerWaalsContact O-N 3.15Å | ||
| 34 | G | 64.6 | Low | 57.9 | Low | 2 Ų | 2 | 94.8 Ų | 94.8 | 2% | 0.021 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -67.9 | -2.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | T134 D189 P190 | G34-T134 PolarHBondContact O-N 3.16Å; G34-D189 WeakPolarHBondContact CA-OD1 2.7Å; G34-D189 PolarHBondContact N-OD1 3.25Å; G34-P190 VanDerWaalsContact CA-CD 3.4Å |
| 35 | F | 69.3 | Low | 60.7 | Low | 25 Ų | 25 | 91 Ų | 91 | 11% | 0.11 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 141.8 | 172.6 | 78.7 | -59 | 0 | 0 | 0 | 110.6 | K33 L37 T134 K184 P190 Y232 | K33-F35 PolarHBondContact O-N 2.71Å; K33-F35 VanDerWaalsContact O-N 3.15Å; F35-L37 HydrophobicContact CD2-CG 4.26Å; F35-L37 HydrophobicContact CE2-CD1 3.95Å; F35-L37 HydrophobicContact CE2-CG 4.17Å; F35-T134 CarbonylContact C-O 3.59Å; F35-T134 WeakPolarHBondContact CA-O 3.43Å; F35-K184 HydrophobicContact CE1-CD 3.82Å; F35-K184 HydrophobicContact CE1-CG 4.4Å; F35-K184 HydrophobicContact CZ-CD 4.21Å; F35-P190 HydrophobicContact CD1-CB 3.76Å; F35-P190 HydrophobicContact CD1-CG 3.21Å; F35-P190 HydrophobicContact CE1-CB 4.22Å; F35-P190 HydrophobicContact CE1-CG 3.49Å; F35-P190 VanDerWaalsContact CE1-CG 3.49Å; F35-P190 HydrophobicContact CG-CB 4.25Å; F35-P190 HydrophobicContact CG-CG 4.16Å; F35-Y232 HydrophobicContact CZ-CE2 4.2Å |
| 36 | I | 79 | Confident | 63.9 | Low | 46 Ų | 46 | 84.2 Ų | 84.2 | 24% | 0.236 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.5 | 177.4 | -60.1 | 178.2 | 0 | 0 | 0 | 107.6 | V44 L46 V133 T134 V135 V136 | I36-V44 HydrophobicContact CB-CG2 4.4Å; I36-V44 HydrophobicContact CD1-CG2 3.81Å; I36-V44 HydrophobicContact CG2-CG2 3.84Å; I36-L46 HydrophobicContact CD1-CD2 3.51Å; I36-V133 HydrophobicContact CD1-CG1 3.97Å; I36-V133 HydrophobicContact CG1-CG1 3.93Å; I36-T134 PolarHBondContact N-O 3.42Å; I36-V135 WeakPolarHBondContact O-CA 3.33Å; I36-V136 PolarHBondContact O-N 2.87Å |
| 37 | L | 76.1 | Confident | 67 | Low | 73 Ų | 73 | 79.5 Ų | 79.5 | 38% | 0.382 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.9 | 169.1 | -66.7 | 161.4 | 0 | 0 | 0 | 107.5 | F35 V136 F243 | F35-L37 HydrophobicContact CD2-CG 4.26Å; F35-L37 HydrophobicContact CE2-CD1 3.95Å; F35-L37 HydrophobicContact CE2-CG 4.17Å; L37-V136 WeakPolarHBondContact CA-O 3.05Å; L37-V136 HydrophobicContact CD2-CB 3.76Å; L37-V136 HydrophobicContact CD2-CG1 3.75Å; L37-V136 HydrophobicContact CD2-CG2 4.47Å; L37-F243 HydrophobicContact CD2-CD2 4.47Å |
| 38 | A | 81.6 | Confident | 70.2 | Confident | 14 Ų | 14 | 73 Ų | 73 | 12% | 0.116 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 154.8 | 176 | 0 | 0 | 0 | 0 | 0 | 109.3 | L109 V136 V137 K138 | A38-L109 HydrophobicContact CB-CD1 3.42Å; A38-L109 VanDerWaalsContact CB-CD1 3.42Å; A38-V136 PolarHBondContact N-O 3.18Å; A38-V137 CarbonylContact O-C 3.58Å; A38-V137 VanDerWaalsContact O-CA 3.22Å; A38-V137 WeakPolarHBondContact O-CA 3.32Å; A38-K138 PolarHBondContact O-N 3.49Å |
| 39 | D | 81 | Confident | 73 | Confident | 89 Ų | 89 | 67.2 Ų | 67.2 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 154.3 | -179.7 | -54.2 | -52.5 | 0 | 0 | 0 | 111.1 | G42 K138 | D39-G42 WeakPolarHBondContact O-CA 3.29Å; D39-G42 PolarHBondContact O-N 2.66Å; D39-K138 CarbonylContact C-O 3.55Å; D39-K138 WeakPolarHBondContact CA-O 3.23Å |
| 40 | V | 81.6 | Confident | 75.4 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 38% | 0.382 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 138.8 | 172.2 | 169.3 | 0 | 0 | 0 | 0 | 109.9 | G42 L109 V137 K138 D139 | V40-G42 PolarHBondContact O-N 3.35Å; V40-L109 CarbonylContact C-O 3.53Å; V40-L109 WeakPolarHBondContact CA-O 3.38Å; V40-V137 HydrophobicContact CB-CG1 4.36Å; V40-V137 HydrophobicContact CG2-CG1 3.66Å; V40-K138 WeakPolarHBondContact CG2-O 3.35Å; V40-K138 PolarHBondContact N-O 2.93Å; V40-D139 HydrophobicContact CG2-CB 3.8Å |
| 41 | G | 84.9 | Confident | 77.5 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -13.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L109 | G41-L109 PolarHBondContact N-O 2.85Š|
| 42 | G | 89.4 | Confident | 78.8 | Confident | 29 Ų | 29 | 62 Ų | 62 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | trans | -71.1 | -168.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D39 V40 N108 L109 | D39-G42 WeakPolarHBondContact O-CA 3.29Å; D39-G42 PolarHBondContact O-N 2.66Å; V40-G42 PolarHBondContact O-N 3.35Å; G42-N108 WeakPolarHBondContact O-CA 3.49Å; G42-N108 PolarHBondContact O-N 2.89Å; G42-L109 WeakPolarHBondContact O-CG 3.48Å; G42-L109 PolarHBondContact O-N 3.03Å | ||
| 43 | S | 93.4 | Very high | 80.2 | Confident | 87 Ų | 87 | 61.4 Ų | 61.4 | 61% | 0.608 | 34% | 0.344 | S | S | * | . | trans | -139.3 | 148.1 | 177.2 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | I106 | S43-I106 CarbonylContact C-O 3.49Å; S43-I106 WeakPolarHBondContact CA-O 3.49Å; S43-I106 WeakPolarHBondContact CB-O 3.47Å | ||
| 44 | V | 93.4 | Very high | 80.9 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144.3 | 173.9 | 68.4 | 0 | 0 | 0 | 0 | 110.6 | I36 L46 S105 I106 L109 V135 | I36-V44 HydrophobicContact CB-CG2 4.4Å; I36-V44 HydrophobicContact CD1-CG2 3.81Å; I36-V44 HydrophobicContact CG2-CG2 3.84Å; V44-L46 HydrophobicContact CG2-CD2 3.86Å; V44-L46 HydrophobicContact CG2-CG 4.48Å; V44-S105 WeakPolarHBondContact O-CA 3.43Å; V44-I106 HydrophobicContact CG1-CB 4Å; V44-I106 HydrophobicContact CG1-CD1 4.1Å; V44-I106 HydrophobicContact CG1-CG1 4.22Å; V44-I106 PolarHBondContact N-O 2.82Å; V44-I106 PolarHBondContact O-N 2.78Å; V44-L109 HydrophobicContact CB-CD1 4.26Å; V44-L109 HydrophobicContact CG1-CD1 4.29Å; V44-L109 HydrophobicContact CG1-CD2 4.03Å; V44-V135 HydrophobicContact CG1-CG1 4.26Å; V44-V135 HydrophobicContact CG1-CG2 4.38Å; V44-V135 HydrophobicContact CG2-CG2 4.4Å |
| 45 | T | 94.4 | Very high | 81.3 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.6 | 172.2 | -57.4 | 0 | 0 | 0 | 0 | 109.3 | R103 L104 | T45-R103 HydrophobicContact CG2-CB 4.34Å; T45-L104 CarbonylContact C-O 3.55Å; T45-L104 WeakPolarHBondContact CA-O 3.48Å |
| 46 | L | 92.1 | Very high | 82.2 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.2 | 178.3 | -53.4 | -179.2 | 0 | 0 | 0 | 108.6 | I36 V44 W59 R103 L104 Y117 V133 V135 | I36-L46 HydrophobicContact CD1-CD2 3.51Å; V44-L46 HydrophobicContact CG2-CD2 3.86Å; V44-L46 HydrophobicContact CG2-CG 4.48Å; L46-W59 HydrophobicContact CB-CH2 3.62Å; L46-W59 HydrophobicContact CB-CZ2 4.49Å; L46-W59 HydrophobicContact CB-CZ3 3.86Å; L46-W59 HydrophobicContact CD1-CZ3 4.18Å; L46-R103 CarbonylContact O-C 3.6Å; L46-R103 VanDerWaalsContact O-CA 3.23Å; L46-R103 WeakPolarHBondContact O-CA 2.97Å; L46-L104 HydrophobicContact CD1-CD2 4.47Å; L46-L104 PolarHBondContact N-O 3.3Å; L46-L104 PolarHBondContact O-N 2.86Å; L46-Y117 HydrophobicContact CD1-CD1 3.96Å; L46-Y117 HydrophobicContact CD1-CD2 4.05Å; L46-Y117 HydrophobicContact CD1-CG 3.52Å; L46-V133 HydrophobicContact CD2-CB 4.37Å; L46-V133 HydrophobicContact CD2-CG1 4.04Å; L46-V135 HydrophobicContact CD1-CG2 4.1Å; L46-V135 HydrophobicContact CD2-CG2 3.98Å |
| 47 | Q | 90.5 | Very high | 82.7 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.8 | 178.6 | -176.6 | -178.1 | -66.7 | 0 | 0 | 110.2 | S102 R103 | Q47-S102 WeakPolarHBondContact CA-O 3.1Å; Q47-R103 HydrophobicContact CB-CG 4.05Å; Q47-R103 HydrophobicContact CG-CG 3.86Å; Q47-R103 VanDerWaalsContact OE1-CZ 3.28Å |
| 48 | C | 88.9 | Confident | 83.4 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 3% | 0.027 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 142.3 | 164.9 | -73.1 | 0 | 0 | 0 | 0 | 111.1 | F50 W59 K101 S102 C119 | C48-F50 HydrophobicContact CB-CD2 4.46Å; C48-F50 HydrophobicContact CB-CE1 4.33Å; C48-F50 HydrophobicContact CB-CE2 3.65Å; C48-F50 HydrophobicContact CB-CZ 3.58Å; C48-W59 HydrophobicContact CB-CH2 4.33Å; C48-W59 HydrophobicContact CB-CZ2 4.25Å; C48-W59 VanDerWaalsContact SG-CH2 3.59Å; C48-K101 WeakPolarHBondContact O-CA 3.47Å; C48-S102 PolarHBondContact N-O 3.35Å; C48-S102 PolarHBondContact O-N 2.77Å; C48-C119 HydrophobicContact CB-CB 3.63Å; C48-C119 WeakPolarHBondContact CB-SG 3.48Å; C48-C119 WeakPolarHBondContact SG-CB 3.48Å; C48-C119 CovalentContact SG-SG 2Å; C48-C119 PolarHBondContact SG-SG 2.83Å |
| 49 | S | 86.2 | Confident | 84 | Confident | 67 Ų | 67 | 52.7 Ų | 52.7 | 47% | 0.469 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 145.4 | 173.2 | -55.3 | 0 | 0 | 0 | 0 | 108 | G100 | S49-G100 CarbonylContact C-O 3.49Å; S49-G100 WeakPolarHBondContact CA-O 3.47Å |
| 50 | F | 81.1 | Confident | 84.6 | Confident | 18 Ų | 18 | 49.8 Ų | 49.8 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | trans | -139.5 | 152.7 | -164.6 | -71.7 | -64.6 | 0 | 0 | 0 | 109.4 | C48 E54 Y57 G100 C119 V130 | C48-F50 HydrophobicContact CB-CD2 4.46Å; C48-F50 HydrophobicContact CB-CE1 4.33Å; C48-F50 HydrophobicContact CB-CE2 3.65Å; C48-F50 HydrophobicContact CB-CZ 3.58Å; F50-E54 WeakPolarHBondContact CB-OE2 3.4Å; F50-E54 WeakPolarHBondContact CD1-OE2 3.5Å; F50-E54 VanDerWaalsContact CG-OE2 3.3Å; F50-E54 WeakPolarHBondContact CG-OE2 3.45Å; F50-Y57 HydrophobicContact CB-CD1 4.34Å; F50-Y57 HydrophobicContact CB-CE1 3.67Å; F50-Y57 HydrophobicContact CD1-CD1 4.08Å; F50-Y57 HydrophobicContact CD1-CE1 4.24Å; F50-Y57 AromaticContact CD2-CD1 3.46Å; F50-Y57 HydrophobicContact CD2-CD1 3.46Å; F50-Y57 VanDerWaalsContact CD2-CD1 3.46Å; F50-Y57 AromaticContact CD2-CE1 3.51Å; F50-Y57 HydrophobicContact CD2-CE1 3.51Å; F50-Y57 HydrophobicContact CD2-CG 4.01Å; F50-Y57 HydrophobicContact CE1-CD1 4.23Å; F50-Y57 AromaticContact CE2-CD1 3.64Å; F50-Y57 HydrophobicContact CE2-CD1 3.64Å; F50-Y57 HydrophobicContact CE2-CE1 4.18Å; F50-Y57 AromaticContact CE2-CG 3.87Å; F50-Y57 HydrophobicContact CE2-CG 3.87Å; F50-Y57 AromaticContact CG-CD1 3.69Å; F50-Y57 HydrophobicContact CG-CD1 3.69Å; F50-Y57 AromaticContact CG-CE1 3.54Å; F50-Y57 HydrophobicContact CG-CE1 3.54Å; F50-Y57 HydrophobicContact CZ-CD1 4.02Å; F50-Y57 HydrophobicContact CZ-CG 4.39Å; F50-G100 PolarHBondContact N-O 2.8Å; F50-C119 HydrophobicContact CZ-CB 4.05Å; F50-V130 HydrophobicContact CD1-CB 4.45Å; F50-V130 HydrophobicContact CD1-CG2 3.77Å; F50-V130 HydrophobicContact CE1-CB 4.13Å; F50-V130 HydrophobicContact CE1-CG2 3.67Å | ||
| 51 | D | 72.1 | Confident | 85.2 | Confident | 126 Ų | 126 | 47.1 Ų | 47.1 | 67% | 0.674 | 28% | 0.275 | S | S | * | . | trans | -65.8 | 143.5 | 170.6 | -76.4 | -28 | 0 | 0 | 0 | 110.1 | E53 E54 | D51-E53 PolarHBondContact O-N 3.48Å; D51-E53 VanDerWaalsContact O-N 3.08Å; D51-E54 WeakPolarHBondContact O-CG 3.48Å; D51-E54 PolarHBondContact O-N 3.23Å | ||
| 52 | E | 65.5 | Low | 85.4 | Confident | 141 Ų | 141 | 48.5 Ų | 48.5 | 66% | 0.659 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.3 | -173 | -66.9 | -167.4 | 178.6 | 0 | 0 | 113.2 | E54 K76 | E52-E54 VanDerWaalsContact C-N 3.26Å; E52-E54 PolarHBondContact O-N 3.13Å; E52-K76 PolarHBondContact O-NZ 3.47Å |
| 53 | E | 67.4 | Low | 85 | Confident | 165 Ų | 165 | 48.2 Ų | 48.2 | 77% | 0.771 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -9.8 | -177.6 | -61.3 | -172.1 | 173.7 | 0 | 0 | 113.7 | D51 L123 | D51-E53 PolarHBondContact O-N 3.48Å; D51-E53 VanDerWaalsContact O-N 3.08Å; E53-L123 WeakPolarHBondContact O-CD1 3.4Å |
| 54 | E | 66.9 | Low | 84.1 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | trans | -78.7 | 136.2 | -172 | -61.5 | 176.3 | 161.4 | 0 | 0 | 113.3 | F50 D51 E52 Y57 K76 S121 | F50-E54 WeakPolarHBondContact CB-OE2 3.4Å; F50-E54 WeakPolarHBondContact CD1-OE2 3.5Å; F50-E54 VanDerWaalsContact CG-OE2 3.3Å; F50-E54 WeakPolarHBondContact CG-OE2 3.45Å; D51-E54 WeakPolarHBondContact O-CG 3.48Å; D51-E54 PolarHBondContact O-N 3.23Å; E52-E54 VanDerWaalsContact C-N 3.26Å; E52-E54 PolarHBondContact O-N 3.13Å; E54-Y57 HydrophobicContact CB-CE1 4.08Å; E54-K76 VanDerWaalsContact O-CD 3.32Å; E54-K76 WeakPolarHBondContact O-CD 3.4Å; E54-S121 WeakPolarHBondContact OE1-CB 3.35Å; E54-S121 PolarHBondContact OE1-OG 2.75Å; E54-S121 WeakPolarHBondContact OE2-CB 3.25Å; E54-S121 PolarHBondContact OE2-OG 3.31Å; E54-S121 VanDerWaalsContact OE2-OG 3.12Å | ||
| 55 | A | 72.9 | Confident | 82.8 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 41% | 0.405 | 30% | 0.299 | S | S | . | . | trans | -89 | -27.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K76 G122 | A55-K76 PolarHBondContact O-N 2.88Å; A55-G122 PolarHBondContact N-O 2.9Å; A55-G122 VanDerWaalsContact N-O 3.14Å | ||
| 56 | S | 87.3 | Confident | 82 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 144.6 | -171.3 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | F58 S74 S121 G122 | S56-F58 VanDerWaalsContact OG-CE2 3.26Å; S56-F58 WeakPolarHBondContact OG-CE2 3.3Å; S56-S74 CarbonylContact C-O 3.46Å; S56-S74 WeakPolarHBondContact CA-O 3.28Å; S56-S121 CarbonylContact O-C 3.53Å; S56-S121 VanDerWaalsContact O-CA 3.31Å; S56-S121 WeakPolarHBondContact O-CA 3.39Å; S56-G122 PolarHBondContact N-O 2.87Å; S56-G122 PolarHBondContact O-N 3.22Å; S56-G122 WeakPolarHBondContact OG-CA 3.44Å; S56-G122 PolarHBondContact OG-O 2.82Å; S56-G122 VanDerWaalsContact OG-O 3.12Å |
| 57 | Y | 89.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.8 | 178.3 | -49.3 | -49.7 | 0 | 0 | 0 | 110.3 | F50 E54 M73 S74 K76 T97 G100 | F50-Y57 HydrophobicContact CB-CD1 4.34Å; F50-Y57 HydrophobicContact CB-CE1 3.67Å; F50-Y57 HydrophobicContact CD1-CD1 4.08Å; F50-Y57 HydrophobicContact CD1-CE1 4.24Å; F50-Y57 AromaticContact CD2-CD1 3.46Å; F50-Y57 HydrophobicContact CD2-CD1 3.46Å; F50-Y57 VanDerWaalsContact CD2-CD1 3.46Å; F50-Y57 AromaticContact CD2-CE1 3.51Å; F50-Y57 HydrophobicContact CD2-CE1 3.51Å; F50-Y57 HydrophobicContact CD2-CG 4.01Å; F50-Y57 HydrophobicContact CE1-CD1 4.23Å; F50-Y57 AromaticContact CE2-CD1 3.64Å; F50-Y57 HydrophobicContact CE2-CD1 3.64Å; F50-Y57 HydrophobicContact CE2-CE1 4.18Å; F50-Y57 AromaticContact CE2-CG 3.87Å; F50-Y57 HydrophobicContact CE2-CG 3.87Å; F50-Y57 AromaticContact CG-CD1 3.69Å; F50-Y57 HydrophobicContact CG-CD1 3.69Å; F50-Y57 AromaticContact CG-CE1 3.54Å; F50-Y57 HydrophobicContact CG-CE1 3.54Å; F50-Y57 HydrophobicContact CZ-CD1 4.02Å; F50-Y57 HydrophobicContact CZ-CG 4.39Å; E54-Y57 HydrophobicContact CB-CE1 4.08Å; Y57-M73 CarbonylContact O-C 3.57Å; Y57-M73 WeakPolarHBondContact O-CA 3.4Å; Y57-S74 PolarHBondContact N-O 3.09Å; Y57-S74 PolarHBondContact O-N 3.03Å; Y57-K76 HydrophobicContact CE2-CB 4.4Å; Y57-T97 HydrophobicContact CD2-CG2 3.41Å; Y57-T97 VanDerWaalsContact CD2-CG2 3.41Å; Y57-T97 HydrophobicContact CE2-CG2 3.49Å; Y57-T97 VanDerWaalsContact CE2-CG2 3.49Å; Y57-G100 WeakPolarHBondContact OH-CA 3Å; Y57-G100 PolarHBondContact OH-N 3.39Å |
| 58 | F | 91.6 | Very high | 81.5 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 10% | 0.101 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.8 | -175.3 | -55.7 | -97.1 | 0 | 0 | 0 | 110 | S56 Y60 C72 M73 C119 A120 L127 | S56-F58 VanDerWaalsContact OG-CE2 3.26Å; S56-F58 WeakPolarHBondContact OG-CE2 3.3Å; F58-Y60 HydrophobicContact CB-CD2 4.25Å; F58-Y60 HydrophobicContact CB-CE2 3.55Å; F58-Y60 HydrophobicContact CG-CE2 4.34Å; F58-C72 WeakPolarHBondContact CA-O 3.44Å; F58-M73 HydrophobicContact CD1-CB 3.98Å; F58-M73 HydrophobicContact CD1-CG 3.86Å; F58-M73 HydrophobicContact CD1-SD 4.39Å; F58-M73 HydrophobicContact CE1-CB 4.04Å; F58-M73 HydrophobicContact CE1-CG 3.49Å; F58-M73 VanDerWaalsContact CE1-CG 3.49Å; F58-M73 HydrophobicContact CE1-SD 3.51Å; F58-M73 VanDerWaalsContact CE1-SD 3.51Å; F58-M73 HydrophobicContact CZ-CG 4.04Å; F58-M73 HydrophobicContact CZ-SD 3.98Å; F58-C119 WeakPolarHBondContact O-CA 3.42Å; F58-A120 HydrophobicContact CB-CB 4.29Å; F58-A120 PolarHBondContact N-O 2.95Å; F58-A120 PolarHBondContact O-N 2.85Å; F58-L127 HydrophobicContact CD2-CD1 4.33Å; F58-L127 HydrophobicContact CE2-CD1 4.46Å; F58-L127 HydrophobicContact CG-CD1 4.46Å |
| 59 | W | 94.6 | Very high | 81.7 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 1% | 0.011 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 134.6 | 168 | -74.7 | 94.8 | 0 | 0 | 0 | 109.8 | L46 C48 I71 C72 S102 L104 C119 | L46-W59 HydrophobicContact CB-CH2 3.62Å; L46-W59 HydrophobicContact CB-CZ2 4.49Å; L46-W59 HydrophobicContact CB-CZ3 3.86Å; L46-W59 HydrophobicContact CD1-CZ3 4.18Å; C48-W59 HydrophobicContact CB-CH2 4.33Å; C48-W59 HydrophobicContact CB-CZ2 4.25Å; C48-W59 VanDerWaalsContact SG-CH2 3.59Å; W59-I71 HydrophobicContact CB-CB 4.18Å; W59-I71 HydrophobicContact CB-CD1 4.26Å; W59-I71 WeakPolarHBondContact O-CB 3.44Å; W59-I71 PolarHBondContact O-N 2.81Å; W59-C72 PolarHBondContact N-O 2.99Å; W59-C72 PolarHBondContact O-N 2.93Å; W59-S102 PolarHBondContact NE1-OG 2.87Å; W59-L104 HydrophobicContact CB-CD2 4.22Å; W59-L104 HydrophobicContact CD2-CB 3.68Å; W59-L104 HydrophobicContact CD2-CD2 3.9Å; W59-L104 HydrophobicContact CD2-CG 4.39Å; W59-L104 HydrophobicContact CE3-CB 4.1Å; W59-L104 HydrophobicContact CE3-CD2 3.82Å; W59-L104 HydrophobicContact CG-CB 4.08Å; W59-L104 HydrophobicContact CG-CD2 4.09Å; W59-L104 HydrophobicContact CH2-CB 4.3Å; W59-L104 HydrophobicContact CZ2-CB 3.9Å; W59-L104 HydrophobicContact CZ3-CB 4.39Å; W59-L104 HydrophobicContact CZ3-CD2 4.48Å; W59-C119 HydrophobicContact CD2-CB 4.14Å; W59-C119 HydrophobicContact CE3-CB 3.92Å; W59-C119 HydrophobicContact CH2-CB 3.9Å; W59-C119 HydrophobicContact CZ2-CB 4.1Å; W59-C119 HydrophobicContact CZ3-CB 3.81Å |
| 60 | Y | 93.8 | Very high | 82.1 | Confident | 28 Ų | 28 | 63 Ų | 63 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 148.4 | 175.1 | -63.7 | -96.1 | 0 | 0 | 0 | 109.9 | F58 P68 Q69 Q70 Y117 L118 A120 F129 | F58-Y60 HydrophobicContact CB-CD2 4.25Å; F58-Y60 HydrophobicContact CB-CE2 3.55Å; F58-Y60 HydrophobicContact CG-CE2 4.34Å; Y60-P68 HydrophobicContact CD1-CB 4.35Å; Y60-Q69 CarbonylContact C-O 3.48Å; Y60-Q69 WeakPolarHBondContact CA-O 3.32Å; Y60-Q70 VanDerWaalsContact CD1-CA 3.48Å; Y60-Q70 HydrophobicContact CD1-CB 3.86Å; Y60-Q70 HydrophobicContact CD1-CG 4.35Å; Y60-Q70 HydrophobicContact CE1-CB 3.55Å; Y60-Q70 HydrophobicContact CE1-CG 3.86Å; Y60-Q70 PolarHBondContact OH-OE1 2.84Å; Y60-Q70 VanDerWaalsContact OH-OE1 3.11Å; Y60-Y117 CarbonylContact O-C 3.59Å; Y60-Y117 VanDerWaalsContact O-CA 3.28Å; Y60-Y117 WeakPolarHBondContact O-CA 3.43Å; Y60-L118 PolarHBondContact N-O 3.19Å; Y60-L118 PolarHBondContact O-N 2.82Å; Y60-A120 HydrophobicContact CE2-CB 4.29Å; Y60-F129 AromaticContact CD2-CE1 3.84Å; Y60-F129 HydrophobicContact CD2-CE1 3.84Å; Y60-F129 HydrophobicContact CD2-CZ 4.34Å; Y60-F129 HydrophobicContact CE2-CE1 4.18Å; Y60-F129 HydrophobicContact CE2-CZ 4.34Å; Y60-F129 HydrophobicContact CG-CE1 4.43Å |
| 61 | K | 94.1 | Very high | 82.8 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.035 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.3 | 166.9 | -174.9 | -172.7 | 174.6 | -165.1 | 0 | 108.9 | Q69 I71 F87 S112 Y117 | K61-Q69 PolarHBondContact N-O 2.76Å; K61-Q69 PolarHBondContact O-N 2.84Å; K61-I71 HydrophobicContact CB-CD1 3.89Å; K61-I71 HydrophobicContact CB-CG1 3.97Å; K61-F87 HydrophobicContact CB-CZ 3.97Å; K61-F87 HydrophobicContact CD-CE1 4.03Å; K61-F87 HydrophobicContact CD-CZ 3.82Å; K61-S112 PolarHBondContact NZ-O 2.86Å; K61-Y117 HydrophobicContact CB-CD1 4.39Å; K61-Y117 HydrophobicContact CB-CE1 4.15Å; K61-Y117 HydrophobicContact CD-CE1 4.28Å; K61-Y117 HydrophobicContact CG-CE1 4.04Å; K61-Y117 HydrophobicContact CG-CE2 4.33Å |
| 62 | Q | 87.9 | Confident | 83.8 | Confident | 70 Ų | 70 | 56.1 Ų | 56.1 | 33% | 0.327 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 102.9 | 169.4 | -170 | 176.4 | 16.7 | 0 | 0 | 109 | Q66 P68 G115 T116 | Q62-Q66 WeakPolarHBondContact CG-O 3.43Å; Q62-Q66 PolarHBondContact NE2-O 3.47Å; Q62-P68 HydrophobicContact CB-CB 4.34Å; Q62-P68 HydrophobicContact CB-CG 4.16Å; Q62-P68 HydrophobicContact CG-CG 4.11Å; Q62-G115 WeakPolarHBondContact O-CA 3.49Å; Q62-T116 PolarHBondContact N-O 2.99Å; Q62-T116 PolarHBondContact O-N 2.97Å |
| 63 | S | 81.4 | Confident | 85.1 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 16% | 0.161 | 28% | 0.275 | C | S | . | . | trans | -68.5 | 154.2 | 167.6 | -55 | 0 | 0 | 0 | 0 | 109.8 | G65 Q66 | S63-G65 PolarHBondContact O-N 3.39Å; S63-Q66 WeakPolarHBondContact O-CB 3.31Å; S63-Q66 PolarHBondContact O-N 3.07Å | ||
| 64 | L | 74.1 | Confident | 86.2 | Confident | 101 Ų | 101 | 42.8 Ų | 42.8 | 53% | 0.529 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 128.3 | -177 | -171.6 | 66.8 | 0 | 0 | 0 | 111.7 | Q66 Y180 | L64-Q66 PolarHBondContact O-N 2.93Å; L64-Y180 HydrophobicContact CD2-CD1 4.39Å; L64-Y180 HydrophobicContact CD2-CE1 3.74Å; L64-Y180 HydrophobicContact CD2-CE2 3.95Å; L64-Y180 VanDerWaalsContact CD2-CZ 3.48Å |
| 65 | G | 66.4 | Low | 87.1 | Confident | 85 Ų | 85 | 47.4 Ų | 47.4 | 88% | 0.876 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 1.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | S63 | S63-G65 PolarHBondContact O-N 3.39Š|
| 66 | Q | 77.3 | Confident | 87.4 | Confident | 98 Ų | 98 | 47.8 Ų | 47.8 | 46% | 0.458 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -104.1 | 160.2 | 178 | -59.9 | -169.2 | -9.1 | 0 | 0 | 111.4 | Q62 S63 L64 | Q62-Q66 WeakPolarHBondContact CG-O 3.43Å; Q62-Q66 PolarHBondContact NE2-O 3.47Å; S63-Q66 WeakPolarHBondContact O-CB 3.31Å; S63-Q66 PolarHBondContact O-N 3.07Å; L64-Q66 PolarHBondContact O-N 2.93Å |
| 67 | K | 83.2 | Confident | 86.9 | Confident | 170 Ų | 170 | 55 Ų | 55 | 74% | 0.739 | 29% | 0.285 | S | S | * | . | trans | -72.6 | 149.3 | 168.5 | 64 | -178.4 | 179.9 | -179.9 | 0 | 110.5 | Q69 | K67-Q69 PolarHBondContact O-N 3.02Š| ||
| 68 | P | 88.6 | Confident | 86.3 | Confident | 53 Ų | 53 | 59.3 Ų | 59.3 | 34% | 0.344 | 31% | 0.308 | S | S | . | . | trans | -56.1 | 132.9 | 174.5 | -23.8 | 33.1 | 0 | 0 | 0 | 112 | Y60 Q62 L118 | Y60-P68 HydrophobicContact CD1-CB 4.35Å; Q62-P68 HydrophobicContact CB-CB 4.34Å; Q62-P68 HydrophobicContact CB-CG 4.16Å; Q62-P68 HydrophobicContact CG-CG 4.11Å; P68-L118 HydrophobicContact CB-CD1 4.29Å; P68-L118 HydrophobicContact CG-CD1 4.03Å | ||
| 69 | Q | 93.4 | Very high | 85.4 | Confident | 70 Ų | 70 | 68.1 Ų | 68.1 | 33% | 0.327 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.4 | 175 | -59.5 | -169.3 | 9.6 | 0 | 0 | 109.8 | Y60 K61 K67 I71 F87 | Y60-Q69 CarbonylContact C-O 3.48Å; Y60-Q69 WeakPolarHBondContact CA-O 3.32Å; K61-Q69 PolarHBondContact N-O 2.76Å; K61-Q69 PolarHBondContact O-N 2.84Å; K67-Q69 PolarHBondContact O-N 3.02Å; Q69-I71 PolarHBondContact O-N 3.09Å; Q69-F87 HydrophobicContact CB-CE2 4.37Å |
| 70 | Q | 94.1 | Very high | 84.7 | Confident | 56 Ų | 56 | 69.5 Ų | 69.5 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 123.1 | 179.9 | -168.4 | 168.6 | -43.1 | 0 | 0 | 110.4 | Y60 Y84 | Y60-Q70 VanDerWaalsContact CD1-CA 3.48Å; Y60-Q70 HydrophobicContact CD1-CB 3.86Å; Y60-Q70 HydrophobicContact CD1-CG 4.35Å; Y60-Q70 HydrophobicContact CE1-CB 3.55Å; Y60-Q70 HydrophobicContact CE1-CG 3.86Å; Y60-Q70 PolarHBondContact OH-OE1 2.84Å; Y60-Q70 VanDerWaalsContact OH-OE1 3.11Å; Q70-Y84 HydrophobicContact CG-CD2 4.18Å |
| 71 | I | 95.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -57.7 | 173.2 | -56.4 | 175.1 | 0 | 0 | 0 | 108.6 | W59 K61 Q69 F83 Y84 F87 F93 L104 Y117 | W59-I71 HydrophobicContact CB-CB 4.18Å; W59-I71 HydrophobicContact CB-CD1 4.26Å; W59-I71 WeakPolarHBondContact O-CB 3.44Å; W59-I71 PolarHBondContact O-N 2.81Å; K61-I71 HydrophobicContact CB-CD1 3.89Å; K61-I71 HydrophobicContact CB-CG1 3.97Å; Q69-I71 PolarHBondContact O-N 3.09Å; I71-F83 HydrophobicContact CG2-CD1 4.05Å; I71-F83 HydrophobicContact CG2-CE1 4.06Å; I71-F83 WeakPolarHBondContact O-CA 3.27Å; I71-Y84 PolarHBondContact O-N 2.83Å; I71-F87 HydrophobicContact CB-CD2 4.21Å; I71-F87 HydrophobicContact CB-CG 4.23Å; I71-F87 HydrophobicContact CG1-CD1 4.31Å; I71-F87 HydrophobicContact CG1-CD2 4.13Å; I71-F87 HydrophobicContact CG1-CE1 4.2Å; I71-F87 HydrophobicContact CG1-CE2 3.99Å; I71-F87 HydrophobicContact CG1-CG 4.29Å; I71-F87 HydrophobicContact CG1-CZ 4.05Å; I71-F87 HydrophobicContact CG2-CB 4.01Å; I71-F87 HydrophobicContact CG2-CD1 4.09Å; I71-F87 HydrophobicContact CG2-CD2 4.37Å; I71-F87 HydrophobicContact CG2-CG 3.88Å; I71-F93 HydrophobicContact CG2-CD1 4.38Å; I71-L104 HydrophobicContact CD1-CD2 3.72Å; I71-L104 HydrophobicContact CG2-CD1 4.43Å; I71-Y117 HydrophobicContact CD1-CD1 3.57Å; I71-Y117 HydrophobicContact CD1-CE1 3.61Å |
| 72 | C | 94.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 165.4 | -174.8 | 64.3 | 0 | 0 | 0 | 0 | 113.2 | F58 W59 T82 F83 V95 | F58-C72 WeakPolarHBondContact CA-O 3.44Å; W59-C72 PolarHBondContact N-O 2.99Å; W59-C72 PolarHBondContact O-N 2.93Å; C72-T82 CarbonylContact C-O 3.53Å; C72-T82 WeakPolarHBondContact CA-O 3.47Å; C72-T82 VanDerWaalsContact CB-O 3.24Å; C72-T82 WeakPolarHBondContact CB-O 3.34Å; C72-F83 HydrophobicContact CB-CD1 3.72Å; C72-F83 HydrophobicContact CB-CD2 4.45Å; C72-F83 HydrophobicContact CB-CE1 3.85Å; C72-F83 HydrophobicContact CB-CG 4.04Å; C72-F83 HydrophobicContact CB-CZ 4.29Å; C72-V95 WeakPolarHBondContact SG-CG2 3.18Å |
| 73 | M | 92 | Very high | 84.8 | Confident | 26 Ų | 26 | 71.5 Ų | 71.5 | 13% | 0.128 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 139.2 | 170.3 | 178.7 | -175.6 | 71.7 | 0 | 0 | 109.2 | Y57 F58 Y75 S81 T82 Y84 | Y57-M73 CarbonylContact O-C 3.57Å; Y57-M73 WeakPolarHBondContact O-CA 3.4Å; F58-M73 HydrophobicContact CD1-CB 3.98Å; F58-M73 HydrophobicContact CD1-CG 3.86Å; F58-M73 HydrophobicContact CD1-SD 4.39Å; F58-M73 HydrophobicContact CE1-CB 4.04Å; F58-M73 HydrophobicContact CE1-CG 3.49Å; F58-M73 VanDerWaalsContact CE1-CG 3.49Å; F58-M73 HydrophobicContact CE1-SD 3.51Å; F58-M73 VanDerWaalsContact CE1-SD 3.51Å; F58-M73 HydrophobicContact CZ-CG 4.04Å; F58-M73 HydrophobicContact CZ-SD 3.98Å; M73-Y75 HydrophobicContact CE-CE2 3.91Å; M73-Y75 WeakPolarHBondContact CE-OH 3.41Å; M73-S81 WeakPolarHBondContact O-CA 3.38Å; M73-T82 PolarHBondContact N-O 3.12Å; M73-T82 PolarHBondContact O-N 2.85Å; M73-Y84 HydrophobicContact CB-CE2 3.95Å; M73-Y84 WeakPolarHBondContact CE-OH 3.07Å |
| 74 | S | 90.4 | Very high | 85.3 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.007 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 145 | 172.9 | 62.4 | 0 | 0 | 0 | 0 | 110.1 | S56 Y57 S81 T97 | S56-S74 CarbonylContact C-O 3.46Å; S56-S74 WeakPolarHBondContact CA-O 3.28Å; Y57-S74 PolarHBondContact N-O 3.09Å; Y57-S74 PolarHBondContact O-N 3.03Å; S74-S81 WeakPolarHBondContact CB-OG 3.46Å; S74-T97 WeakPolarHBondContact CB-OG1 3.44Å; S74-T97 PolarHBondContact OG-OG1 2.92Å |
| 75 | Y | 85.9 | Confident | 86.2 | Confident | 119 Ų | 119 | 72.9 Ų | 72.9 | 47% | 0.467 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 147.9 | 172.7 | -64.3 | -76.8 | 0 | 0 | 0 | 110.4 | M73 L77 D78 | M73-Y75 HydrophobicContact CE-CE2 3.91Å; M73-Y75 WeakPolarHBondContact CE-OH 3.41Å; Y75-L77 PolarHBondContact O-N 3.16Å; Y75-D78 PolarHBondContact O-N 2.86Å; Y75-D78 VanDerWaalsContact O-O 3.11Å |
| 76 | K | 79.1 | Confident | 87.3 | Confident | 56 Ų | 56 | 73.9 Ų | 73.9 | 24% | 0.243 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -37.9 | 179.2 | 179.6 | -175.6 | 176.2 | -171.4 | 0 | 113.1 | E52 E54 A55 Y57 | E52-K76 PolarHBondContact O-NZ 3.47Å; E54-K76 VanDerWaalsContact O-CD 3.32Å; E54-K76 WeakPolarHBondContact O-CD 3.4Å; A55-K76 PolarHBondContact O-N 2.88Å; Y57-K76 HydrophobicContact CE2-CB 4.4Å |
| 77 | L | 76.8 | Confident | 88 | Confident | 165 Ų | 165 | 69.4 Ų | 69.4 | 86% | 0.864 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -8.5 | -174.7 | -62.9 | 174.4 | 0 | 0 | 0 | 113.8 | Y75 | Y75-L77 PolarHBondContact O-N 3.16Š|
| 78 | D | 77.4 | Confident | 88.4 | Confident | 90 Ų | 90 | 67.4 Ų | 67.4 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | trans | -101 | 141 | 179 | -168.6 | -1.5 | 0 | 0 | 0 | 109.9 | Y75 G80 | Y75-D78 PolarHBondContact O-N 2.86Å; Y75-D78 VanDerWaalsContact O-O 3.11Å; D78-G80 VanDerWaalsContact C-N 3.31Å; D78-G80 PolarHBondContact OD1-N 2.68Å | ||
| 79 | K | 72 | Confident | 88.4 | Confident | 208 Ų | 208 | 71.8 Ų | 71.8 | 90% | 0.904 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -81.2 | -16.4 | 172.9 | -66.9 | -175.7 | 178.7 | 179.5 | 0 | 111.9 | ||
| 80 | G | 81.2 | Confident | 88.3 | Confident | 33 Ų | 33 | 73.4 Ų | 73.4 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | trans | -76.6 | 149.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D78 | D78-G80 VanDerWaalsContact C-N 3.31Å; D78-G80 PolarHBondContact OD1-N 2.68Å | ||
| 81 | S | 88.6 | Confident | 88.1 | Confident | 31 Ų | 31 | 76.9 Ų | 76.9 | 22% | 0.217 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.4 | 167.9 | -62.9 | 0 | 0 | 0 | 0 | 109.3 | M73 S74 | M73-S81 WeakPolarHBondContact O-CA 3.38Å; S74-S81 WeakPolarHBondContact CB-OG 3.46Å |
| 82 | T | 92.8 | Very high | 88.1 | Confident | 72 Ų | 72 | 78.9 Ų | 78.9 | 44% | 0.442 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 120.9 | 176.9 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | C72 M73 Y84 | C72-T82 CarbonylContact C-O 3.53Å; C72-T82 WeakPolarHBondContact CA-O 3.47Å; C72-T82 VanDerWaalsContact CB-O 3.24Å; C72-T82 WeakPolarHBondContact CB-O 3.34Å; M73-T82 PolarHBondContact N-O 3.12Å; M73-T82 PolarHBondContact O-N 2.85Å; T82-Y84 HydrophobicContact CG2-CE1 4.15Å; T82-Y84 HydrophobicContact CG2-CE2 3.83Å; T82-Y84 WeakPolarHBondContact O-CD2 3.24Å; T82-Y84 VanDerWaalsContact O-CE2 3.22Å; T82-Y84 WeakPolarHBondContact O-CE2 3.22Å |
| 83 | F | 95.1 | Very high | 88.1 | Confident | 44 Ų | 44 | 79.3 Ų | 79.3 | 19% | 0.193 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 144.9 | 177.2 | -71.5 | -94.9 | 0 | 0 | 0 | 111.7 | I71 C72 F87 F93 V95 | I71-F83 HydrophobicContact CG2-CD1 4.05Å; I71-F83 HydrophobicContact CG2-CE1 4.06Å; I71-F83 WeakPolarHBondContact O-CA 3.27Å; C72-F83 HydrophobicContact CB-CD1 3.72Å; C72-F83 HydrophobicContact CB-CD2 4.45Å; C72-F83 HydrophobicContact CB-CE1 3.85Å; C72-F83 HydrophobicContact CB-CG 4.04Å; C72-F83 HydrophobicContact CB-CZ 4.29Å; F83-F87 HydrophobicContact CD1-CB 4.25Å; F83-F93 HydrophobicContact CD1-CB 4.39Å; F83-F93 HydrophobicContact CE1-CB 3.7Å; F83-F93 HydrophobicContact CZ-CB 4.31Å; F83-V95 HydrophobicContact CZ-CG2 4.17Å |
| 84 | Y | 93.9 | Very high | 88.1 | Confident | 86 Ų | 86 | 80.6 Ų | 80.6 | 34% | 0.337 | 42% | 0.423 | S | S | . | . | trans | -123.4 | 161.9 | -174.4 | -62.4 | -89.8 | 0 | 0 | 0 | 112.3 | Q70 I71 M73 T82 E86 F87 K88 | Q70-Y84 HydrophobicContact CG-CD2 4.18Å; I71-Y84 PolarHBondContact O-N 2.83Å; M73-Y84 HydrophobicContact CB-CE2 3.95Å; M73-Y84 WeakPolarHBondContact CE-OH 3.07Å; T82-Y84 HydrophobicContact CG2-CE1 4.15Å; T82-Y84 HydrophobicContact CG2-CE2 3.83Å; T82-Y84 WeakPolarHBondContact O-CD2 3.24Å; T82-Y84 VanDerWaalsContact O-CE2 3.22Å; T82-Y84 WeakPolarHBondContact O-CE2 3.22Å; Y84-E86 PolarHBondContact O-N 3.39Å; Y84-F87 WeakPolarHBondContact O-CB 3.42Å; Y84-F87 PolarHBondContact O-N 2.88Å; Y84-F87 VanDerWaalsContact O-N 3.13Å; Y84-K88 PolarHBondContact O-N 3.45Å | ||
| 85 | G | 91.8 | Very high | 88.3 | Confident | 67 Ų | 67 | 81.4 Ų | 81.4 | 69% | 0.691 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | 55 | -135 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F87 K88 | G85-F87 PolarHBondContact O-N 3.03Å; G85-K88 WeakPolarHBondContact O-CB 3.19Å; G85-K88 PolarHBondContact O-N 3.26Å |
| 86 | E | 89.9 | Confident | 88.5 | Confident | 107 Ų | 107 | 82.6 Ų | 82.6 | 50% | 0.5 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -66.9 | -15 | -179.8 | 64 | 173.5 | -178.3 | 0 | 0 | 114.3 | Y84 K90 | Y84-E86 PolarHBondContact O-N 3.39Å; E86-K90 WeakPolarHBondContact O-CE 3.21Å; E86-K90 VanDerWaalsContact O-CG 3.29Å; E86-K90 WeakPolarHBondContact O-CG 3.48Å |
| 87 | F | 92.5 | Very high | 88.9 | Confident | 3 Ų | 3 | 81.5 Ų | 81.5 | 1% | 0.013 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -87.4 | -12.3 | -178.9 | -50.5 | -78.1 | 0 | 0 | 0 | 112.5 | K61 Q69 I71 F83 Y84 G85 K90 F93 | K61-F87 HydrophobicContact CB-CZ 3.97Å; K61-F87 HydrophobicContact CD-CE1 4.03Å; K61-F87 HydrophobicContact CD-CZ 3.82Å; Q69-F87 HydrophobicContact CB-CE2 4.37Å; I71-F87 HydrophobicContact CB-CD2 4.21Å; I71-F87 HydrophobicContact CB-CG 4.23Å; I71-F87 HydrophobicContact CG1-CD1 4.31Å; I71-F87 HydrophobicContact CG1-CD2 4.13Å; I71-F87 HydrophobicContact CG1-CE1 4.2Å; I71-F87 HydrophobicContact CG1-CE2 3.99Å; I71-F87 HydrophobicContact CG1-CG 4.29Å; I71-F87 HydrophobicContact CG1-CZ 4.05Å; I71-F87 HydrophobicContact CG2-CB 4.01Å; I71-F87 HydrophobicContact CG2-CD1 4.09Å; I71-F87 HydrophobicContact CG2-CD2 4.37Å; I71-F87 HydrophobicContact CG2-CG 3.88Å; F83-F87 HydrophobicContact CD1-CB 4.25Å; Y84-F87 WeakPolarHBondContact O-CB 3.42Å; Y84-F87 PolarHBondContact O-N 2.88Å; Y84-F87 VanDerWaalsContact O-N 3.13Å; G85-F87 PolarHBondContact O-N 3.03Å; F87-K90 WeakPolarHBondContact O-CB 3.2Å; F87-K90 PolarHBondContact O-N 3.35Å; F87-F93 HydrophobicContact CD1-CD1 4.44Å; F87-F93 HydrophobicContact CD1-CD2 4.19Å; F87-F93 AromaticContact CD1-CE1 3.96Å; F87-F93 HydrophobicContact CD1-CE1 3.96Å; F87-F93 AromaticContact CD1-CE2 3.64Å; F87-F93 HydrophobicContact CD1-CE2 3.64Å; F87-F93 AromaticContact CD1-CZ 3.54Å; F87-F93 HydrophobicContact CD1-CZ 3.54Å; F87-F93 HydrophobicContact CE1-CE1 4.2Å; F87-F93 HydrophobicContact CE1-CE2 4.25Å; F87-F93 AromaticContact CE1-CZ 3.76Å; F87-F93 HydrophobicContact CE1-CZ 3.76Å |
| 88 | K | 91.4 | Very high | 89.3 | Confident | 128 Ų | 128 | 78.2 Ų | 78.2 | 56% | 0.557 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 138.1 | 177.2 | -169 | 176.5 | -179.3 | 179.7 | 0 | 110.7 | Y84 G85 K90 | Y84-K88 PolarHBondContact O-N 3.45Å; G85-K88 WeakPolarHBondContact O-CB 3.19Å; G85-K88 PolarHBondContact O-N 3.26Å; K88-K90 PolarHBondContact O-N 2.8Å |
| 89 | N | 88.6 | Confident | 89.5 | Confident | 146 Ų | 146 | 78 Ų | 78 | 78% | 0.781 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 24.5 | -179.7 | -55.1 | -27.2 | 0 | 0 | 0 | 114.2 | P91 | N89-P91 WeakPolarHBondContact O-CD 3.22Š|
| 90 | K | 89.9 | Confident | 90 | Very high | 104 Ų | 104 | 68.4 Ų | 68.4 | 45% | 0.452 | 38% | 0.376 | S | S | . | . | trans | -98.9 | 101.9 | 174.2 | -64.6 | -64.4 | -174.5 | 178.4 | 0 | 109.1 | E86 F87 K88 R92 F93 | E86-K90 WeakPolarHBondContact O-CE 3.21Å; E86-K90 VanDerWaalsContact O-CG 3.29Å; E86-K90 WeakPolarHBondContact O-CG 3.48Å; F87-K90 WeakPolarHBondContact O-CB 3.2Å; F87-K90 PolarHBondContact O-N 3.35Å; K88-K90 PolarHBondContact O-N 2.8Å; K90-R92 HydrophobicContact CB-CG 4.28Å; K90-R92 PolarHBondContact O-N 2.79Å; K90-F93 HydrophobicContact CB-CD2 3.78Å; K90-F93 HydrophobicContact CB-CE2 4.32Å; K90-F93 PolarHBondContact O-N 2.94Å; K90-F93 VanDerWaalsContact O-N 3.12Å | ||
| 91 | P | 90.8 | Very high | 90.3 | Very high | 128 Ų | 128 | 71 Ų | 71 | 83% | 0.831 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.6 | -175.2 | 27.4 | -35.7 | 0 | 0 | 0 | 113 | N89 F93 | N89-P91 WeakPolarHBondContact O-CD 3.22Å; P91-F93 VanDerWaalsContact C-N 3.26Å; P91-F93 PolarHBondContact O-N 3.21Å |
| 92 | R | 95.2 | Very high | 90.3 | Very high | 43 Ų | 43 | 69.5 Ų | 69.5 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24.3 | 178 | 74.5 | -168.3 | -173.9 | 87 | -8.1 | 113.8 | K90 I106 S107 D113 | K90-R92 HydrophobicContact CB-CG 4.28Å; K90-R92 PolarHBondContact O-N 2.79Å; R92-I106 WeakPolarHBondContact O-CA 3.45Å; R92-S107 WeakPolarHBondContact CA-OG 3.42Å; R92-S107 WeakPolarHBondContact CB-O 3.49Å; R92-S107 PolarHBondContact O-N 2.95Å; R92-S107 PolarHBondContact O-OG 2.85Å; R92-S107 VanDerWaalsContact O-OG 3.09Å; R92-D113 IonicContact CZ-OD1 3.22Å; R92-D113 IonicContact CZ-OD2 3.58Å; R92-D113 IonicContact NH1-OD1 3.68Å; R92-D113 PolarHBondContact NH1-OD1 3.3Å; R92-D113 IonicContact NH1-OD2 3.93Å; R92-D113 PolarHBondContact NH1-OD2 2.79Å; R92-D113 IonicContact NH2-OD1 2.71Å; R92-D113 PolarHBondContact NH2-OD1 2.95Å; R92-D113 IonicContact NH2-OD2 3.86Å |
| 93 | F | 94.4 | Very high | 90.3 | Very high | 9 Ų | 9 | 68.8 Ų | 68.8 | 4% | 0.039 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.9 | 174.6 | -65.3 | -90.6 | 0 | 0 | 0 | 110.3 | I71 F83 F87 K90 P91 L104 S105 I106 | I71-F93 HydrophobicContact CG2-CD1 4.38Å; F83-F93 HydrophobicContact CD1-CB 4.39Å; F83-F93 HydrophobicContact CE1-CB 3.7Å; F83-F93 HydrophobicContact CZ-CB 4.31Å; F87-F93 HydrophobicContact CD1-CD1 4.44Å; F87-F93 HydrophobicContact CD1-CD2 4.19Å; F87-F93 AromaticContact CD1-CE1 3.96Å; F87-F93 HydrophobicContact CD1-CE1 3.96Å; F87-F93 AromaticContact CD1-CE2 3.64Å; F87-F93 HydrophobicContact CD1-CE2 3.64Å; F87-F93 AromaticContact CD1-CZ 3.54Å; F87-F93 HydrophobicContact CD1-CZ 3.54Å; F87-F93 HydrophobicContact CE1-CE1 4.2Å; F87-F93 HydrophobicContact CE1-CE2 4.25Å; F87-F93 AromaticContact CE1-CZ 3.76Å; F87-F93 HydrophobicContact CE1-CZ 3.76Å; K90-F93 HydrophobicContact CB-CD2 3.78Å; K90-F93 HydrophobicContact CB-CE2 4.32Å; K90-F93 PolarHBondContact O-N 2.94Å; K90-F93 VanDerWaalsContact O-N 3.12Å; P91-F93 VanDerWaalsContact C-N 3.26Å; P91-F93 PolarHBondContact O-N 3.21Å; F93-L104 HydrophobicContact CD1-CD1 4.37Å; F93-S105 WeakPolarHBondContact CA-O 3.47Å; F93-I106 HydrophobicContact CD1-CB 4.39Å; F93-I106 HydrophobicContact CD1-CD1 4.18Å; F93-I106 HydrophobicContact CD1-CG1 3.74Å; F93-I106 HydrophobicContact CD1-CG2 4.06Å; F93-I106 HydrophobicContact CE1-CB 4.38Å; F93-I106 HydrophobicContact CE1-CD1 3.74Å; F93-I106 HydrophobicContact CE1-CG1 3.77Å; F93-I106 HydrophobicContact CE1-CG2 3.77Å; F93-I106 HydrophobicContact CZ-CG2 4.16Å |
| 94 | S | 93.5 | Very high | 90.2 | Very high | 53 Ų | 53 | 66.7 Ų | 66.7 | 37% | 0.371 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 147.3 | 172.9 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | S105 | S94-S105 PolarHBondContact N-O 2.03Å; S94-S105 PolarHBondContact O-N 2.85Å |
| 95 | V | 93.1 | Very high | 90.3 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 11% | 0.109 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.4 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 109.6 | C72 F83 R103 L104 | C72-V95 WeakPolarHBondContact SG-CG2 3.18Å; F83-V95 HydrophobicContact CZ-CG2 4.17Å; V95-R103 CarbonylContact C-O 3.49Å; V95-R103 VanDerWaalsContact CA-O 3.3Å; V95-R103 WeakPolarHBondContact CA-O 3.46Å; V95-L104 HydrophobicContact CG2-CB 4.28Å; V95-L104 HydrophobicContact CG2-CD1 3.53Å |
| 96 | K | 90.7 | Very high | 90.5 | Very high | 144 Ų | 144 | 60.7 Ų | 60.7 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.3 | 168.6 | -68.2 | -175.9 | 179.2 | -180 | 0 | 108.5 | R103 | K96-R103 PolarHBondContact N-O 2.97Å; K96-R103 PolarHBondContact O-N 2.93Å |
| 97 | T | 87.7 | Confident | 90.8 | Very high | 33 Ų | 33 | 58.2 Ų | 58.2 | 20% | 0.202 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.1 | -178.9 | -63.6 | 0 | 0 | 0 | 0 | 109.6 | Y57 S74 | Y57-T97 HydrophobicContact CD2-CG2 3.41Å; Y57-T97 VanDerWaalsContact CD2-CG2 3.41Å; Y57-T97 HydrophobicContact CE2-CG2 3.49Å; Y57-T97 VanDerWaalsContact CE2-CG2 3.49Å; S74-T97 WeakPolarHBondContact CB-OG1 3.44Å; S74-T97 PolarHBondContact OG-OG1 2.92Å |
| 98 | E | 85 | Confident | 90.8 | Very high | 95 Ų | 95 | 62.4 Ų | 62.4 | 44% | 0.444 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 165 | 173.2 | -73.3 | 164.6 | -162.1 | 0 | 0 | 107.7 | G100 K101 R103 | E98-G100 PolarHBondContact O-N 2.98Å; E98-G100 VanDerWaalsContact O-N 3.1Å; E98-K101 CarbonylContact C-O 3.6Å; E98-K101 HydrophobicContact CB-CB 4.26Å; E98-K101 PolarHBondContact N-O 2.99Å; E98-K101 PolarHBondContact O-N 3.29Å; E98-R103 IonicContact OE1-NH1 3.8Å; E98-R103 PolarHBondContact OE1-NH1 3Å; E98-R103 IonicContact OE2-CZ 2.68Å; E98-R103 IonicContact OE2-NH1 2.85Å; E98-R103 PolarHBondContact OE2-NH1 2.86Å; E98-R103 IonicContact OE2-NH2 3.74Å |
| 99 | V | 82.3 | Confident | 90.7 | Very high | 86 Ų | 86 | 56.3 Ų | 56.3 | 52% | 0.521 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 120.5 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 109.4 | K101 | V99-K101 PolarHBondContact O-N 3.35Š|
| 100 | G | 81.2 | Confident | 90.5 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S49 F50 Y57 E98 | S49-G100 CarbonylContact C-O 3.49Å; S49-G100 WeakPolarHBondContact CA-O 3.47Å; F50-G100 PolarHBondContact N-O 2.8Å; Y57-G100 WeakPolarHBondContact OH-CA 3Å; Y57-G100 PolarHBondContact OH-N 3.39Å; E98-G100 PolarHBondContact O-N 2.98Å; E98-G100 VanDerWaalsContact O-N 3.1Å |
| 101 | K | 87.3 | Confident | 90 | Very high | 86 Ų | 86 | 50.9 Ų | 50.9 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 137.5 | -177.5 | -65.2 | 178.5 | -174.8 | 166.6 | 0 | 112.6 | C48 E98 V99 | C48-K101 WeakPolarHBondContact O-CA 3.47Å; E98-K101 CarbonylContact C-O 3.6Å; E98-K101 HydrophobicContact CB-CB 4.26Å; E98-K101 PolarHBondContact N-O 2.99Å; E98-K101 PolarHBondContact O-N 3.29Å; V99-K101 PolarHBondContact O-N 3.35Å |
| 102 | S | 89.4 | Confident | 89.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.5 | 168.8 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | Q47 C48 W59 | Q47-S102 WeakPolarHBondContact CA-O 3.1Å; C48-S102 PolarHBondContact N-O 3.35Å; C48-S102 PolarHBondContact O-N 2.77Å; W59-S102 PolarHBondContact NE1-OG 2.87Å |
| 103 | R | 91.9 | Very high | 89.4 | Confident | 57 Ų | 57 | 46.1 Ų | 46.1 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 113.4 | 177.7 | -67 | -175.6 | -173.4 | 96.2 | 4.4 | 110.7 | T45 L46 Q47 V95 K96 E98 | T45-R103 HydrophobicContact CG2-CB 4.34Å; L46-R103 CarbonylContact O-C 3.6Å; L46-R103 VanDerWaalsContact O-CA 3.23Å; L46-R103 WeakPolarHBondContact O-CA 2.97Å; Q47-R103 HydrophobicContact CB-CG 4.05Å; Q47-R103 HydrophobicContact CG-CG 3.86Å; Q47-R103 VanDerWaalsContact OE1-CZ 3.28Å; V95-R103 CarbonylContact C-O 3.49Å; V95-R103 VanDerWaalsContact CA-O 3.3Å; V95-R103 WeakPolarHBondContact CA-O 3.46Å; K96-R103 PolarHBondContact N-O 2.97Å; K96-R103 PolarHBondContact O-N 2.93Å; E98-R103 IonicContact OE1-NH1 3.8Å; E98-R103 PolarHBondContact OE1-NH1 3Å; E98-R103 IonicContact OE2-CZ 2.68Å; E98-R103 IonicContact OE2-NH1 2.85Å; E98-R103 PolarHBondContact OE2-NH1 2.86Å; E98-R103 IonicContact OE2-NH2 3.74Å |
| 104 | L | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 120.8 | 170.3 | 175.2 | 66.9 | 0 | 0 | 0 | 109.6 | T45 L46 W59 I71 F93 V95 I106 Y117 | T45-L104 CarbonylContact C-O 3.55Å; T45-L104 WeakPolarHBondContact CA-O 3.48Å; L46-L104 HydrophobicContact CD1-CD2 4.47Å; L46-L104 PolarHBondContact N-O 3.3Å; L46-L104 PolarHBondContact O-N 2.86Å; W59-L104 HydrophobicContact CB-CD2 4.22Å; W59-L104 HydrophobicContact CD2-CB 3.68Å; W59-L104 HydrophobicContact CD2-CD2 3.9Å; W59-L104 HydrophobicContact CD2-CG 4.39Å; W59-L104 HydrophobicContact CE3-CB 4.1Å; W59-L104 HydrophobicContact CE3-CD2 3.82Å; W59-L104 HydrophobicContact CG-CB 4.08Å; W59-L104 HydrophobicContact CG-CD2 4.09Å; W59-L104 HydrophobicContact CH2-CB 4.3Å; W59-L104 HydrophobicContact CZ2-CB 3.9Å; W59-L104 HydrophobicContact CZ3-CB 4.39Å; W59-L104 HydrophobicContact CZ3-CD2 4.48Å; I71-L104 HydrophobicContact CD1-CD2 3.72Å; I71-L104 HydrophobicContact CG2-CD1 4.43Å; F93-L104 HydrophobicContact CD1-CD1 4.37Å; V95-L104 HydrophobicContact CG2-CB 4.28Å; V95-L104 HydrophobicContact CG2-CD1 3.53Å; L104-I106 HydrophobicContact CD2-CD1 4.42Å; L104-I106 HydrophobicContact CG-CG1 4.27Å; L104-Y117 HydrophobicContact CD2-CD1 3.78Å; L104-Y117 HydrophobicContact CD2-CE1 4.2Å |
| 105 | S | 95.2 | Very high | 88.6 | Confident | 27 Ų | 27 | 44.9 Ų | 44.9 | 19% | 0.189 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.1 | 174.8 | -47.3 | 0 | 0 | 0 | 0 | 110.1 | V44 F93 S94 | V44-S105 WeakPolarHBondContact O-CA 3.43Å; F93-S105 WeakPolarHBondContact CA-O 3.47Å; S94-S105 PolarHBondContact N-O 2.03Å; S94-S105 PolarHBondContact O-N 2.85Å |
| 106 | I | 96.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 115.9 | 177.6 | -44.1 | 173.3 | 0 | 0 | 0 | 107 | S43 V44 R92 F93 L104 L109 Y117 | S43-I106 CarbonylContact C-O 3.49Å; S43-I106 WeakPolarHBondContact CA-O 3.49Å; S43-I106 WeakPolarHBondContact CB-O 3.47Å; V44-I106 HydrophobicContact CG1-CB 4Å; V44-I106 HydrophobicContact CG1-CD1 4.1Å; V44-I106 HydrophobicContact CG1-CG1 4.22Å; V44-I106 PolarHBondContact N-O 2.82Å; V44-I106 PolarHBondContact O-N 2.78Å; R92-I106 WeakPolarHBondContact O-CA 3.45Å; F93-I106 HydrophobicContact CD1-CB 4.39Å; F93-I106 HydrophobicContact CD1-CD1 4.18Å; F93-I106 HydrophobicContact CD1-CG1 3.74Å; F93-I106 HydrophobicContact CD1-CG2 4.06Å; F93-I106 HydrophobicContact CE1-CB 4.38Å; F93-I106 HydrophobicContact CE1-CD1 3.74Å; F93-I106 HydrophobicContact CE1-CG1 3.77Å; F93-I106 HydrophobicContact CE1-CG2 3.77Å; F93-I106 HydrophobicContact CZ-CG2 4.16Å; L104-I106 HydrophobicContact CD2-CD1 4.42Å; L104-I106 HydrophobicContact CG-CG1 4.27Å; I106-L109 HydrophobicContact CB-CD2 4.06Å; I106-L109 HydrophobicContact CG2-CD2 3.74Å; I106-Y117 HydrophobicContact CD1-CD1 4.23Å; I106-Y117 HydrophobicContact CD1-CE1 3.42Å; I106-Y117 VanDerWaalsContact CD1-CE1 3.42Å; I106-Y117 HydrophobicContact CD1-CE2 4.38Å; I106-Y117 WeakPolarHBondContact CD1-OH 3.28Å |
| 107 | S | 95.8 | Very high | 88.5 | Confident | 55 Ų | 55 | 39 Ų | 39 | 39% | 0.385 | 22% | 0.221 | S | C | . | . | trans | -102 | 164.6 | 176.7 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | R92 L109 | R92-S107 WeakPolarHBondContact CA-OG 3.42Å; R92-S107 WeakPolarHBondContact CB-O 3.49Å; R92-S107 PolarHBondContact O-N 2.95Å; R92-S107 PolarHBondContact O-OG 2.85Å; R92-S107 VanDerWaalsContact O-OG 3.09Å; S107-L109 PolarHBondContact O-N 2.77Å | ||
| 108 | N | 92.9 | Very high | 88.7 | Confident | 90 Ų | 90 | 38.9 Ų | 38.9 | 48% | 0.481 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 46 | 60.7 | -179.3 | -171.6 | 46.8 | 0 | 0 | 0 | 111.7 | G42 H110 | G42-N108 WeakPolarHBondContact O-CA 3.49Å; G42-N108 PolarHBondContact O-N 2.89Å; N108-H110 PolarHBondContact ND2-NE2 3.38Å; N108-H110 PolarHBondContact O-CD2 2.9Å; N108-H110 PolarHBondContact O-N 2.85Å |
| 109 | L | 88.9 | Confident | 89 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -59.6 | 133.8 | -173.8 | -77 | 169.5 | 0 | 0 | 0 | 111.9 | A38 V40 G41 G42 V44 I106 S107 D113 V137 | A38-L109 HydrophobicContact CB-CD1 3.42Å; A38-L109 VanDerWaalsContact CB-CD1 3.42Å; V40-L109 CarbonylContact C-O 3.53Å; V40-L109 WeakPolarHBondContact CA-O 3.38Å; G41-L109 PolarHBondContact N-O 2.85Å; G42-L109 WeakPolarHBondContact O-CG 3.48Å; G42-L109 PolarHBondContact O-N 3.03Å; V44-L109 HydrophobicContact CB-CD1 4.26Å; V44-L109 HydrophobicContact CG1-CD1 4.29Å; V44-L109 HydrophobicContact CG1-CD2 4.03Å; I106-L109 HydrophobicContact CB-CD2 4.06Å; I106-L109 HydrophobicContact CG2-CD2 3.74Å; S107-L109 PolarHBondContact O-N 2.77Å; L109-D113 HydrophobicContact CD2-CB 4.07Å; L109-V137 HydrophobicContact CB-CG1 3.89Å; L109-V137 HydrophobicContact CB-CG2 4.06Å; L109-V137 HydrophobicContact CD1-CG2 4.34Å; L109-V137 HydrophobicContact CD2-CG2 4.03Å; L109-V137 HydrophobicContact CG-CG2 4.39Å | ||
| 110 | H | 86.5 | Confident | 89.3 | Confident | 79 Ų | 79 | 30.2 Ų | 30.2 | 37% | 0.366 | 17% | 0.173 | S | C | . | . | trans | -107.3 | 156.4 | 173.1 | -64 | -177 | 0 | 0 | 0 | 109.9 | N108 S112 D113 V137 | N108-H110 PolarHBondContact ND2-NE2 3.38Å; N108-H110 PolarHBondContact O-CD2 2.9Å; N108-H110 PolarHBondContact O-N 2.85Å; H110-S112 PolarHBondContact O-N 2.83Å; H110-S112 VanDerWaalsContact O-N 3.14Å; H110-D113 PolarHBondContact N-OD2 2.79Å; H110-D113 VanDerWaalsContact O-CB 3.27Å; H110-D113 WeakPolarHBondContact O-CB 3.44Å; H110-D113 PolarHBondContact O-N 2.84Å; H110-V137 WeakPolarHBondContact O-CG2 3.3Å | ||
| 111 | S | 78.6 | Confident | 89.6 | Confident | 58 Ų | 58 | 30 Ų | 30 | 41% | 0.406 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -53.5 | -36.5 | 174.5 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | D113 T114 | S111-D113 PolarHBondContact O-N 2.95Å; S111-D113 VanDerWaalsContact O-N 3.16Å; S111-T114 VanDerWaalsContact O-CB 3.32Å; S111-T114 WeakPolarHBondContact O-CB 3.21Å; S111-T114 PolarHBondContact O-N 2.75Å; S111-T114 VanDerWaalsContact O-N 3.09Å; S111-T114 PolarHBondContact O-OG1 3.06Å |
| 112 | S | 84.3 | Confident | 89.3 | Confident | 70 Ų | 70 | 26.1 Ų | 26.1 | 49% | 0.49 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -62.1 | -17.4 | 175.4 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | K61 H110 T114 | K61-S112 PolarHBondContact NZ-O 2.86Å; H110-S112 PolarHBondContact O-N 2.83Å; H110-S112 VanDerWaalsContact O-N 3.14Å; S112-T114 PolarHBondContact O-N 3.38Å |
| 113 | D | 88.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -78.2 | -6.5 | 176.4 | -61.8 | -38.9 | 0 | 0 | 0 | 113.1 | R92 L109 H110 S111 G115 Y117 V137 | R92-D113 IonicContact CZ-OD1 3.22Å; R92-D113 IonicContact CZ-OD2 3.58Å; R92-D113 IonicContact NH1-OD1 3.68Å; R92-D113 PolarHBondContact NH1-OD1 3.3Å; R92-D113 IonicContact NH1-OD2 3.93Å; R92-D113 PolarHBondContact NH1-OD2 2.79Å; R92-D113 IonicContact NH2-OD1 2.71Å; R92-D113 PolarHBondContact NH2-OD1 2.95Å; R92-D113 IonicContact NH2-OD2 3.86Å; L109-D113 HydrophobicContact CD2-CB 4.07Å; H110-D113 PolarHBondContact N-OD2 2.79Å; H110-D113 VanDerWaalsContact O-CB 3.27Å; H110-D113 WeakPolarHBondContact O-CB 3.44Å; H110-D113 PolarHBondContact O-N 2.84Å; S111-D113 PolarHBondContact O-N 2.95Å; S111-D113 VanDerWaalsContact O-N 3.16Å; D113-G115 PolarHBondContact O-N 3.43Å; D113-Y117 WeakPolarHBondContact O-CE2 3.41Å; D113-Y117 PolarHBondContact O-OH 2.83Å; D113-V137 HydrophobicContact CB-CG2 4.09Å |
| 114 | T | 85.5 | Confident | 87.7 | Confident | 29 Ų | 29 | 32.7 Ų | 32.7 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | trans | -59 | 127.9 | 170.5 | -61 | 0 | 0 | 0 | 0 | 110.6 | S111 S112 V135 V136 V137 I241 | S111-T114 VanDerWaalsContact O-CB 3.32Å; S111-T114 WeakPolarHBondContact O-CB 3.21Å; S111-T114 PolarHBondContact O-N 2.75Å; S111-T114 VanDerWaalsContact O-N 3.09Å; S111-T114 PolarHBondContact O-OG1 3.06Å; S112-T114 PolarHBondContact O-N 3.38Å; T114-V135 CarbonylContact C-O 3.56Å; T114-V135 VanDerWaalsContact CA-O 3.28Å; T114-V135 WeakPolarHBondContact CA-O 3.38Å; T114-V136 HydrophobicContact CG2-CG2 4.44Å; T114-V137 PolarHBondContact OG1-N 3.11Å; T114-I241 HydrophobicContact CG2-CD1 4.01Å | ||
| 115 | G | 87 | Confident | 86.5 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164 | 172.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q62 D113 Y117 T134 V135 | Q62-G115 WeakPolarHBondContact O-CA 3.49Å; D113-G115 PolarHBondContact O-N 3.43Å; G115-Y117 WeakPolarHBondContact O-CD2 3.34Å; G115-T134 CarbonylContact O-C 3.59Å; G115-T134 WeakPolarHBondContact O-CA 3.48Å; G115-V135 PolarHBondContact N-O 2.73Å; G115-V135 PolarHBondContact O-N 3.18Å |
| 116 | T | 88.3 | Confident | 85.7 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 23% | 0.233 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 119 | 176.3 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | Q62 L118 T134 | Q62-T116 PolarHBondContact N-O 2.99Å; Q62-T116 PolarHBondContact O-N 2.97Å; T116-L118 HydrophobicContact CG2-CD2 3.81Å; T116-L118 HydrophobicContact CG2-CG 4.38Å; T116-T134 PolarHBondContact OG1-OG1 2.83Å |
| 117 | Y | 92.3 | Very high | 85 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 118.4 | 177.9 | -70.5 | -99.6 | 0 | 0 | 0 | 109 | L46 Y60 K61 I71 L104 I106 D113 G115 G132 V133 V135 | L46-Y117 HydrophobicContact CD1-CD1 3.96Å; L46-Y117 HydrophobicContact CD1-CD2 4.05Å; L46-Y117 HydrophobicContact CD1-CG 3.52Å; Y60-Y117 CarbonylContact O-C 3.59Å; Y60-Y117 VanDerWaalsContact O-CA 3.28Å; Y60-Y117 WeakPolarHBondContact O-CA 3.43Å; K61-Y117 HydrophobicContact CB-CD1 4.39Å; K61-Y117 HydrophobicContact CB-CE1 4.15Å; K61-Y117 HydrophobicContact CD-CE1 4.28Å; K61-Y117 HydrophobicContact CG-CE1 4.04Å; K61-Y117 HydrophobicContact CG-CE2 4.33Å; I71-Y117 HydrophobicContact CD1-CD1 3.57Å; I71-Y117 HydrophobicContact CD1-CE1 3.61Å; L104-Y117 HydrophobicContact CD2-CD1 3.78Å; L104-Y117 HydrophobicContact CD2-CE1 4.2Å; I106-Y117 HydrophobicContact CD1-CD1 4.23Å; I106-Y117 HydrophobicContact CD1-CE1 3.42Å; I106-Y117 VanDerWaalsContact CD1-CE1 3.42Å; I106-Y117 HydrophobicContact CD1-CE2 4.38Å; I106-Y117 WeakPolarHBondContact CD1-OH 3.28Å; D113-Y117 WeakPolarHBondContact O-CE2 3.41Å; D113-Y117 PolarHBondContact O-OH 2.83Å; G115-Y117 WeakPolarHBondContact O-CD2 3.34Å; Y117-G132 CarbonylContact O-C 3.45Å; Y117-G132 WeakPolarHBondContact O-CA 3.33Å; Y117-V133 PolarHBondContact N-O 3.3Å; Y117-V133 PolarHBondContact O-N 2.82Å; Y117-V135 HydrophobicContact CD2-CB 4.02Å; Y117-V135 HydrophobicContact CD2-CG2 3.7Å; Y117-V135 HydrophobicContact CE2-CB 3.83Å; Y117-V135 HydrophobicContact CE2-CG2 3.91Å |
| 118 | L | 91.5 | Very high | 84.2 | Confident | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132 | -178.4 | -53.3 | 169.5 | 0 | 0 | 0 | 108.5 | Y60 P68 T116 F129 K131 | Y60-L118 PolarHBondContact N-O 3.19Å; Y60-L118 PolarHBondContact O-N 2.82Å; P68-L118 HydrophobicContact CB-CD1 4.29Å; P68-L118 HydrophobicContact CG-CD1 4.03Å; T116-L118 HydrophobicContact CG2-CD2 3.81Å; T116-L118 HydrophobicContact CG2-CG 4.38Å; L118-F129 HydrophobicContact CB-CD1 3.91Å; L118-F129 HydrophobicContact CB-CE1 3.97Å; L118-F129 HydrophobicContact CD1-CD1 4.36Å; L118-F129 HydrophobicContact CD1-CE1 4.11Å; L118-K131 WeakPolarHBondContact CA-O 3.42Å |
| 119 | C | 90.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 142.4 | 168.2 | 66.6 | 0 | 0 | 0 | 0 | 109.9 | C48 F50 F58 W59 V130 K131 | C48-C119 HydrophobicContact CB-CB 3.63Å; C48-C119 WeakPolarHBondContact CB-SG 3.48Å; C48-C119 WeakPolarHBondContact SG-CB 3.48Å; C48-C119 CovalentContact SG-SG 2Å; C48-C119 PolarHBondContact SG-SG 2.83Å; F50-C119 HydrophobicContact CZ-CB 4.05Å; F58-C119 WeakPolarHBondContact O-CA 3.42Å; W59-C119 HydrophobicContact CD2-CB 4.14Å; W59-C119 HydrophobicContact CE3-CB 3.92Å; W59-C119 HydrophobicContact CH2-CB 3.9Å; W59-C119 HydrophobicContact CZ2-CB 4.1Å; W59-C119 HydrophobicContact CZ3-CB 3.81Å; C119-V130 PolarHBondContact O-N 3.1Å; C119-K131 PolarHBondContact N-O 2.9Å; C119-K131 PolarHBondContact SG-O 2.81Å |
| 120 | A | 89.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 161.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F58 Y60 L127 T128 F129 | F58-A120 HydrophobicContact CB-CB 4.29Å; F58-A120 PolarHBondContact N-O 2.95Å; F58-A120 PolarHBondContact O-N 2.85Å; Y60-A120 HydrophobicContact CE2-CB 4.29Å; A120-L127 HydrophobicContact CB-CD2 3.54Å; A120-L127 HydrophobicContact CB-CG 4.04Å; A120-T128 CarbonylContact C-O 3.59Å; A120-T128 WeakPolarHBondContact CA-O 3.49Å; A120-T128 VanDerWaalsContact CB-O 3.28Å; A120-T128 WeakPolarHBondContact CB-O 3.38Å; A120-F129 HydrophobicContact CB-CD1 3.79Å; A120-F129 HydrophobicContact CB-CE1 3.99Å; A120-F129 HydrophobicContact CB-CG 4.18Å |
| 121 | S | 87.2 | Confident | 82.9 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 152.1 | 176 | 55 | 0 | 0 | 0 | 0 | 111.5 | E54 S56 L127 T128 | E54-S121 WeakPolarHBondContact OE1-CB 3.35Å; E54-S121 PolarHBondContact OE1-OG 2.75Å; E54-S121 WeakPolarHBondContact OE2-CB 3.25Å; E54-S121 PolarHBondContact OE2-OG 3.31Å; E54-S121 VanDerWaalsContact OE2-OG 3.12Å; S56-S121 CarbonylContact O-C 3.53Å; S56-S121 VanDerWaalsContact O-CA 3.31Å; S56-S121 WeakPolarHBondContact O-CA 3.39Å; S121-L127 CarbonylContact O-C 3.55Å; S121-L127 VanDerWaalsContact O-CA 3.29Å; S121-L127 WeakPolarHBondContact O-CA 3.46Å; S121-T128 PolarHBondContact N-O 2.84Å; S121-T128 PolarHBondContact O-N 2.85Å |
| 122 | G | 80.9 | Confident | 83.2 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A55 S56 L126 | A55-G122 PolarHBondContact N-O 2.9Å; A55-G122 VanDerWaalsContact N-O 3.14Å; S56-G122 PolarHBondContact N-O 2.87Å; S56-G122 PolarHBondContact O-N 3.22Å; S56-G122 WeakPolarHBondContact OG-CA 3.44Å; S56-G122 PolarHBondContact OG-O 2.82Å; S56-G122 VanDerWaalsContact OG-O 3.12Å; G122-L126 VanDerWaalsContact CA-O 3.24Å; G122-L126 WeakPolarHBondContact CA-O 3.37Å |
| 123 | L | 77.7 | Confident | 83.3 | Confident | 88 Ų | 88 | 51 Ų | 51 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 106.8 | 162.8 | -173 | 68.2 | 0 | 0 | 0 | 108.6 | E53 F125 L126 | E53-L123 WeakPolarHBondContact O-CD1 3.4Å; L123-F125 PolarHBondContact O-N 2.78Å; L123-L126 PolarHBondContact N-O 3.15Å; L123-L126 PolarHBondContact O-N 2.79Å |
| 124 | S | 71.6 | Confident | 83.1 | Confident | 107 Ų | 107 | 52.2 Ų | 52.2 | 75% | 0.748 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | -98.7 | -174 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 125 | F | 68.1 | Low | 83.1 | Confident | 206 Ų | 206 | 50.8 Ų | 50.8 | 90% | 0.904 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -8.3 | -176.7 | -40.6 | -76.9 | 0 | 0 | 0 | 113.3 | L123 | L123-F125 PolarHBondContact O-N 2.78Š|
| 126 | L | 77.8 | Confident | 82.8 | Confident | 130 Ų | 130 | 50.8 Ų | 50.8 | 68% | 0.681 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 127.2 | -178.9 | -70.3 | 172.7 | 0 | 0 | 0 | 109.5 | G122 L123 | G122-L126 VanDerWaalsContact CA-O 3.24Å; G122-L126 WeakPolarHBondContact CA-O 3.37Å; L123-L126 PolarHBondContact N-O 3.15Å; L123-L126 PolarHBondContact O-N 2.79Å |
| 127 | L | 80.9 | Confident | 82.4 | Confident | 73 Ų | 73 | 49.3 Ų | 49.3 | 38% | 0.382 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 120.5 | 173.2 | -171.3 | 151 | 0 | 0 | 0 | 109.2 | F58 A120 S121 F129 | F58-L127 HydrophobicContact CD2-CD1 4.33Å; F58-L127 HydrophobicContact CE2-CD1 4.46Å; F58-L127 HydrophobicContact CG-CD1 4.46Å; A120-L127 HydrophobicContact CB-CD2 3.54Å; A120-L127 HydrophobicContact CB-CG 4.04Å; S121-L127 CarbonylContact O-C 3.55Å; S121-L127 VanDerWaalsContact O-CA 3.29Å; S121-L127 WeakPolarHBondContact O-CA 3.46Å; L127-F129 HydrophobicContact CD2-CD2 3.82Å; L127-F129 HydrophobicContact CD2-CE1 4.41Å; L127-F129 HydrophobicContact CD2-CE2 3.44Å; L127-F129 VanDerWaalsContact CD2-CE2 3.44Å; L127-F129 HydrophobicContact CD2-CG 4.45Å; L127-F129 HydrophobicContact CD2-CZ 3.77Å |
| 128 | T | 80.7 | Confident | 81.5 | Confident | 79 Ų | 79 | 53.1 Ų | 53.1 | 49% | 0.485 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 121.2 | -177.1 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | A120 S121 | A120-T128 CarbonylContact C-O 3.59Å; A120-T128 WeakPolarHBondContact CA-O 3.49Å; A120-T128 VanDerWaalsContact CB-O 3.28Å; A120-T128 WeakPolarHBondContact CB-O 3.38Å; S121-T128 PolarHBondContact N-O 2.84Å; S121-T128 PolarHBondContact O-N 2.85Å |
| 129 | F | 80.8 | Confident | 80.3 | Confident | 109 Ų | 109 | 53.9 Ų | 53.9 | 48% | 0.478 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 124.5 | 171.6 | -74.3 | -84.1 | 0 | 0 | 0 | 109.7 | Y60 L118 A120 L127 | Y60-F129 AromaticContact CD2-CE1 3.84Å; Y60-F129 HydrophobicContact CD2-CE1 3.84Å; Y60-F129 HydrophobicContact CD2-CZ 4.34Å; Y60-F129 HydrophobicContact CE2-CE1 4.18Å; Y60-F129 HydrophobicContact CE2-CZ 4.34Å; Y60-F129 HydrophobicContact CG-CE1 4.43Å; L118-F129 HydrophobicContact CB-CD1 3.91Å; L118-F129 HydrophobicContact CB-CE1 3.97Å; L118-F129 HydrophobicContact CD1-CD1 4.36Å; L118-F129 HydrophobicContact CD1-CE1 4.11Å; A120-F129 HydrophobicContact CB-CD1 3.79Å; A120-F129 HydrophobicContact CB-CE1 3.99Å; A120-F129 HydrophobicContact CB-CG 4.18Å; L127-F129 HydrophobicContact CD2-CD2 3.82Å; L127-F129 HydrophobicContact CD2-CE1 4.41Å; L127-F129 HydrophobicContact CD2-CE2 3.44Å; L127-F129 VanDerWaalsContact CD2-CE2 3.44Å; L127-F129 HydrophobicContact CD2-CG 4.45Å; L127-F129 HydrophobicContact CD2-CZ 3.77Å |
| 130 | V | 77.3 | Confident | 78.5 | Confident | 69 Ų | 69 | 58 Ų | 58 | 42% | 0.418 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -45.8 | -172.7 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | F50 C119 | F50-V130 HydrophobicContact CD1-CB 4.45Å; F50-V130 HydrophobicContact CD1-CG2 3.77Å; F50-V130 HydrophobicContact CE1-CB 4.13Å; F50-V130 HydrophobicContact CE1-CG2 3.67Å; C119-V130 PolarHBondContact O-N 3.1Å |
| 131 | K | 81.9 | Confident | 76.5 | Confident | 58 Ų | 58 | 60.9 Ų | 60.9 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 146.9 | -175.4 | -169.2 | 171.3 | -176.2 | 167.5 | 0 | 111.8 | H31 L118 C119 V133 | H31-K131 PolarHBondContact O-NZ 2.78Å; L118-K131 WeakPolarHBondContact CA-O 3.42Å; C119-K131 PolarHBondContact N-O 2.9Å; C119-K131 PolarHBondContact SG-O 2.81Å; K131-V133 HydrophobicContact CD-CG2 4.39Å; K131-V133 HydrophobicContact CG-CG2 4.29Å |
| 132 | G | 85 | Confident | 74.5 | Confident | 26 Ų | 26 | 65.7 Ų | 65.7 | 27% | 0.268 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y117 | Y117-G132 CarbonylContact O-C 3.45Å; Y117-G132 WeakPolarHBondContact O-CA 3.33Å |
| 133 | V | 85.3 | Confident | 72.8 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 8% | 0.079 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.1 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | I36 L46 Y117 K131 | I36-V133 HydrophobicContact CD1-CG1 3.97Å; I36-V133 HydrophobicContact CG1-CG1 3.93Å; L46-V133 HydrophobicContact CD2-CB 4.37Å; L46-V133 HydrophobicContact CD2-CG1 4.04Å; Y117-V133 PolarHBondContact N-O 3.3Å; Y117-V133 PolarHBondContact O-N 2.82Å; K131-V133 HydrophobicContact CD-CG2 4.39Å; K131-V133 HydrophobicContact CG-CG2 4.29Å |
| 134 | T | 84.8 | Confident | 71.6 | Confident | 26 Ų | 26 | 67 Ų | 67 | 16% | 0.16 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 115.6 | 177.9 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | G34 F35 I36 G115 T116 V136 | G34-T134 PolarHBondContact O-N 3.16Å; F35-T134 CarbonylContact C-O 3.59Å; F35-T134 WeakPolarHBondContact CA-O 3.43Å; I36-T134 PolarHBondContact N-O 3.42Å; G115-T134 CarbonylContact O-C 3.59Å; G115-T134 WeakPolarHBondContact O-CA 3.48Å; T116-T134 PolarHBondContact OG1-OG1 2.83Å; T134-V136 HydrophobicContact CG2-CG2 4.32Å |
| 135 | V | 85.8 | Confident | 70.9 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 132.7 | 173.2 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | I36 V44 L46 T114 G115 Y117 V137 | I36-V135 WeakPolarHBondContact O-CA 3.33Å; V44-V135 HydrophobicContact CG1-CG1 4.26Å; V44-V135 HydrophobicContact CG1-CG2 4.38Å; V44-V135 HydrophobicContact CG2-CG2 4.4Å; L46-V135 HydrophobicContact CD1-CG2 4.1Å; L46-V135 HydrophobicContact CD2-CG2 3.98Å; T114-V135 CarbonylContact C-O 3.56Å; T114-V135 VanDerWaalsContact CA-O 3.28Å; T114-V135 WeakPolarHBondContact CA-O 3.38Å; G115-V135 PolarHBondContact N-O 2.73Å; G115-V135 PolarHBondContact O-N 3.18Å; Y117-V135 HydrophobicContact CD2-CB 4.02Å; Y117-V135 HydrophobicContact CD2-CG2 3.7Å; Y117-V135 HydrophobicContact CE2-CB 3.83Å; Y117-V135 HydrophobicContact CE2-CG2 3.91Å; V135-V137 HydrophobicContact CG1-CG2 4.23Å |
| 136 | V | 80.3 | Confident | 70.7 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.8 | 174.9 | 174.7 | 0 | 0 | 0 | 0 | 107.9 | I36 L37 A38 T114 T134 F243 | I36-V136 PolarHBondContact O-N 2.87Å; L37-V136 WeakPolarHBondContact CA-O 3.05Å; L37-V136 HydrophobicContact CD2-CB 3.76Å; L37-V136 HydrophobicContact CD2-CG1 3.75Å; L37-V136 HydrophobicContact CD2-CG2 4.47Å; A38-V136 PolarHBondContact N-O 3.18Å; T114-V136 HydrophobicContact CG2-CG2 4.44Å; T134-V136 HydrophobicContact CG2-CG2 4.32Å; V136-F243 HydrophobicContact CB-CE2 4.24Å; V136-F243 HydrophobicContact CB-CZ 4.46Å; V136-F243 HydrophobicContact CG1-CD2 3.98Å; V136-F243 HydrophobicContact CG1-CE2 3.3Å; V136-F243 HydrophobicContact CG1-CZ 3.97Å; V136-F243 HydrophobicContact CG2-CE2 4.02Å; V136-F243 HydrophobicContact CG2-CZ 3.78Å |
| 137 | V | 80.3 | Confident | 70.5 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 113.8 | 178.8 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | A38 V40 L109 H110 D113 T114 V135 | A38-V137 CarbonylContact O-C 3.58Å; A38-V137 VanDerWaalsContact O-CA 3.22Å; A38-V137 WeakPolarHBondContact O-CA 3.32Å; V40-V137 HydrophobicContact CB-CG1 4.36Å; V40-V137 HydrophobicContact CG2-CG1 3.66Å; L109-V137 HydrophobicContact CB-CG1 3.89Å; L109-V137 HydrophobicContact CB-CG2 4.06Å; L109-V137 HydrophobicContact CD1-CG2 4.34Å; L109-V137 HydrophobicContact CD2-CG2 4.03Å; L109-V137 HydrophobicContact CG-CG2 4.39Å; H110-V137 WeakPolarHBondContact O-CG2 3.3Å; D113-V137 HydrophobicContact CB-CG2 4.09Å; T114-V137 PolarHBondContact OG1-N 3.11Å; V135-V137 HydrophobicContact CG1-CG2 4.23Å |
| 138 | K | 73.3 | Confident | 70.5 | Confident | 80 Ų | 80 | 53.6 Ų | 53.6 | 35% | 0.348 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.5 | 178.5 | -64.2 | -175.3 | 176.1 | -170.1 | 0 | 110.7 | A38 D39 V40 | A38-K138 PolarHBondContact O-N 3.49Å; D39-K138 CarbonylContact C-O 3.55Å; D39-K138 WeakPolarHBondContact CA-O 3.23Å; V40-K138 WeakPolarHBondContact CG2-O 3.35Å; V40-K138 PolarHBondContact N-O 2.93Å |
| 139 | D | 65.7 | Low | 70.6 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | trans | -103.7 | 97.4 | 175.4 | -171.9 | 4.6 | 0 | 0 | 0 | 109.6 | V40 A141 R240 | V40-D139 HydrophobicContact CG2-CB 3.8Å; D139-A141 PolarHBondContact O-N 2.99Å; D139-A141 PolarHBondContact OD1-N 2.94Å; D139-R240 IonicContact OD1-NH2 3.87Å; D139-R240 IonicContact OD2-CZ 3.21Å; D139-R240 IonicContact OD2-NE 2.98Å; D139-R240 PolarHBondContact OD2-NE 2.96Å; D139-R240 IonicContact OD2-NH2 2.74Å; D139-R240 PolarHBondContact OD2-NH2 3.47Å | ||
| 140 | S | 54.8 | Low | 70.8 | Confident | 86 Ų | 86 | 50.7 Ų | 50.7 | 60% | 0.601 | 32% | 0.315 | S | S | * | . | trans | -81.3 | 7.4 | -177.5 | -46.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 141 | A | 46.3 | Very low | 71.2 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 50% | 0.504 | 31% | 0.312 | S | S | . | . | trans | -126.9 | 98.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D139 R240 | D139-A141 PolarHBondContact O-N 2.99Å; D139-A141 PolarHBondContact OD1-N 2.94Å; A141-R240 PolarHBondContact O-NH2 2.91Å | ||
| 142 | V | 44.4 | Very low | 71.3 | Confident | 103 Ų | 103 | 50.6 Ų | 50.6 | 62% | 0.624 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 152.3 | 116.9 | 143.7 | 163.7 | 0 | 0 | 0 | 0 | 105.8 | G144 R240 | V142-G144 PolarHBondContact O-N 3.24Å; V142-R240 PolarHBondContact O-NH1 3.2Å |
| 143 | G | 45.6 | Very low | 71.3 | Confident | 86 Ų | 86 | 53 Ų | 53 | 89% | 0.887 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -45 | 110.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 144 | G | 53.4 | Low | 71.5 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 37% | 0.371 | 36% | 0.358 | S | S | . | . | trans | 161.7 | 14.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V142 A146 | V142-G144 PolarHBondContact O-N 3.24Å; G144-A146 PolarHBondContact O-N 2.99Å | ||
| 145 | E | 56.4 | Low | 71.5 | Confident | 127 Ų | 127 | 57.7 Ų | 57.7 | 59% | 0.593 | 37% | 0.371 | S | S | * | . | trans | -60.3 | 125.3 | 177.1 | -66.4 | -176.2 | 165 | 0 | 0 | 108.9 | L147 | E145-L147 PolarHBondContact O-N 2.96Š| ||
| 146 | A | 63.4 | Low | 71.5 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 7% | 0.066 | 37% | 0.372 | C | S | . | . | trans | -71 | 116.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107 | G144 V148 V168 Q169 T170 D242 | G144-A146 PolarHBondContact O-N 2.99Å; A146-V148 PolarHBondContact O-N 2.82Å; A146-V168 HydrophobicContact CB-CG1 4.22Å; A146-Q169 CarbonylContact C-O 3.53Å; A146-Q169 WeakPolarHBondContact CA-O 3.2Å; A146-T170 HydrophobicContact CB-CG2 3.92Å; A146-D242 HydrophobicContact CB-CB 4.49Å; A146-D242 WeakPolarHBondContact CB-OD2 3.42Å; A146-D242 PolarHBondContact N-OD2 2.79Å | ||
| 147 | L | 73.9 | Confident | 71.7 | Confident | 85 Ų | 85 | 64.3 Ų | 64.3 | 45% | 0.445 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 112.7 | 178.1 | -175.9 | 66.8 | 0 | 0 | 0 | 108.3 | E145 H149 V168 Q169 | E145-L147 PolarHBondContact O-N 2.96Å; L147-H149 WeakPolarHBondContact CD2-NE2 3.28Å; L147-H149 WeakPolarHBondContact CG-NE2 3.48Å; L147-V168 WeakPolarHBondContact O-CA 2.93Å; L147-Q169 HydrophobicContact CB-CB 4.25Å; L147-Q169 PolarHBondContact N-O 2.97Å; L147-Q169 PolarHBondContact O-N 2Å |
| 148 | V | 81.4 | Confident | 72 | Confident | 14 Ų | 14 | 68 Ų | 68 | 9% | 0.085 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 110.7 | -179.6 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | A146 C166 C233 V235 D242 | A146-V148 PolarHBondContact O-N 2.82Å; V148-C166 WeakPolarHBondContact CG1-SG 3.44Å; V148-C233 HydrophobicContact CG1-CB 4.3Å; V148-V235 HydrophobicContact CG1-CG2 4.48Å; V148-V235 HydrophobicContact CG2-CB 4.3Å; V148-V235 HydrophobicContact CG2-CG2 3.92Å; V148-D242 HydrophobicContact CG2-CB 4.03Å |
| 149 | H | 82.9 | Confident | 72.4 | Confident | 98 Ų | 98 | 66.3 Ų | 66.3 | 45% | 0.454 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.4 | 176.6 | -72.6 | -59.8 | 0 | 0 | 0 | 111.4 | L147 T167 | L147-H149 WeakPolarHBondContact CD2-NE2 3.28Å; L147-H149 WeakPolarHBondContact CG-NE2 3.48Å; H149-T167 WeakPolarHBondContact CB-OG1 3.14Å; H149-T167 PolarHBondContact N-O 2.66Å; H149-T167 PolarHBondContact O-N 2.84Å; H149-T167 PolarHBondContact O-OG1 3.09Å |
| 150 | Q | 85.6 | Confident | 73.5 | Confident | 28 Ų | 28 | 67.4 Ų | 67.4 | 13% | 0.131 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 148.6 | 175.4 | -69.2 | -170.1 | -95.1 | 0 | 0 | 109.6 | Y231 C233 G244 G246 T247 | Q150-Y231 PolarHBondContact NE2-O 2.88Å; Q150-C233 HydrophobicContact CG-CB 4.09Å; Q150-C233 VanDerWaalsContact OE1-N 3.09Å; Q150-G244 VanDerWaalsContact OE1-C 3.23Å; Q150-G244 VanDerWaalsContact OE1-CA 3.28Å; Q150-G246 VanDerWaalsContact OE1-CA 3.31Å; Q150-T247 PolarHBondContact NE2-OG1 3.3Å |
| 151 | A | 85 | Confident | 75.1 | Confident | 43 Ų | 43 | 67.2 Ų | 67.2 | 36% | 0.355 | 43% | 0.43 | S | S | . | . | trans | -63 | 141.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T247 | A151-T247 HydrophobicContact CB-CG2 4.36Å; A151-T247 VanDerWaalsContact O-CA 3.24Å; A151-T247 WeakPolarHBondContact O-CA 3.41Å; A151-T247 VanDerWaalsContact O-CB 3.24Å; A151-T247 WeakPolarHBondContact O-CB 3.43Å; A151-T247 WeakPolarHBondContact O-CG2 3.32Å; A151-T247 PolarHBondContact O-OG1 3Å | ||
| 152 | A | 84.3 | Confident | 77 | Confident | 82 Ų | 82 | 65.2 Ų | 65.2 | 68% | 0.678 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -68.8 | -36.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K248 | A152-K248 PolarHBondContact O-N 2.88Š|
| 153 | S | 85.4 | Confident | 79.1 | Confident | 77 Ų | 77 | 63.4 Ų | 63.4 | 54% | 0.538 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 150.1 | -177.6 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | K248 | S153-K248 CarbonylContact C-O 3.57Å; S153-K248 VanDerWaalsContact CA-O 3.26Å; S153-K248 WeakPolarHBondContact CA-O 3.11Å |
| 154 | E | 88.3 | Confident | 81.1 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 143.4 | 171.6 | -78.3 | -67.4 | 173.5 | 0 | 0 | 108.8 | V162 L164 T247 K248 L249 E250 | E154-V162 HydrophobicContact CB-CG1 4.48Å; E154-L164 HydrophobicContact CB-CD2 4.14Å; E154-L164 HydrophobicContact CG-CD2 3.91Å; E154-T247 HydrophobicContact CB-CG2 4.15Å; E154-T247 HydrophobicContact CG-CG2 3.78Å; E154-K248 PolarHBondContact N-O 3.12Å; E154-L249 HydrophobicContact CB-CD1 4.04Å; E154-L249 WeakPolarHBondContact O-CA 3.32Å; E154-E250 PolarHBondContact O-N 3.06Å |
| 155 | S | 85.2 | Confident | 82.8 | Confident | 63 Ų | 63 | 61.1 Ų | 61.1 | 44% | 0.441 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 142.6 | 176.5 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | E250 E252 | S155-E250 WeakPolarHBondContact CA-O 3.42Å; S155-E252 PolarHBondContact OG-OE1 2.93Å |
| 156 | A | 85 | Confident | 84.2 | Confident | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.017 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 149.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D160 V162 I223 L249 E250 L251 E252 | A156-D160 HydrophobicContact CB-CB 4.29Å; A156-V162 HydrophobicContact CB-CG2 3.55Å; A156-I223 HydrophobicContact CB-CB 4.26Å; A156-I223 HydrophobicContact CB-CG1 4.08Å; A156-I223 HydrophobicContact CB-CG2 4.12Å; A156-L249 HydrophobicContact CB-CD1 4.36Å; A156-E250 PolarHBondContact N-O 3.02Å; A156-L251 CarbonylContact O-C 3.58Å; A156-L251 VanDerWaalsContact O-CA 3.3Å; A156-L251 WeakPolarHBondContact O-CA 3.5Å; A156-L251 WeakPolarHBondContact O-CD2 3.26Å; A156-E252 PolarHBondContact O-N 3.3Å |
| 157 | R | 86.2 | Confident | 85.3 | Confident | 144 Ų | 144 | 57.1 Ų | 57.1 | 54% | 0.543 | 34% | 0.343 | S | S | . | . | trans | -82.5 | 156.3 | 168 | -58.5 | 178.9 | -178.9 | 172.2 | 0.6 | 110.1 | G159 D160 E252 | R157-G159 PolarHBondContact O-N 3.48Å; R157-D160 WeakPolarHBondContact CA-OD2 3.42Å; R157-D160 VanDerWaalsContact CB-OD2 3.25Å; R157-D160 WeakPolarHBondContact CB-OD2 3.24Å; R157-D160 PolarHBondContact N-OD2 2.85Å; R157-D160 WeakPolarHBondContact O-CB 3.34Å; R157-D160 PolarHBondContact O-N 2.77Å; R157-D160 VanDerWaalsContact O-N 3.11Å; R157-E252 HydrophobicContact CG-CB 4.22Å; R157-E252 WeakPolarHBondContact CG-OE2 3.19Å; R157-E252 IonicContact CZ-OE2 2.87Å; R157-E252 IonicContact NE-OE2 3.7Å; R157-E252 PolarHBondContact NE-OE2 2.84Å; R157-E252 VanDerWaalsContact NE-OE2 3.08Å; R157-E252 IonicContact NH2-OE2 2.87Å | ||
| 158 | P | 85.1 | Confident | 85.7 | Confident | 85 Ų | 85 | 53 Ų | 53 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 127.4 | 171.5 | -23 | 33.9 | 0 | 0 | 0 | 111 | I223 L251 | P158-I223 CarbonylContact C-O 3.54Å; P158-I223 WeakPolarHBondContact CA-O 3.45Å; P158-L251 HydrophobicContact CG-CD2 4.17Å |
| 159 | G | 82.9 | Confident | 85.6 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 46% | 0.464 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -12 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R157 I223 | R157-G159 PolarHBondContact O-N 3.48Å; G159-I223 PolarHBondContact N-O 3.26Å |
| 160 | D | 87.8 | Confident | 85 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | trans | -65.5 | 165.6 | 176.7 | -71.3 | -8 | 0 | 0 | 0 | 111.7 | A156 R157 N222 I223 | A156-D160 HydrophobicContact CB-CB 4.29Å; R157-D160 WeakPolarHBondContact CA-OD2 3.42Å; R157-D160 VanDerWaalsContact CB-OD2 3.25Å; R157-D160 WeakPolarHBondContact CB-OD2 3.24Å; R157-D160 PolarHBondContact N-OD2 2.85Å; R157-D160 WeakPolarHBondContact O-CB 3.34Å; R157-D160 PolarHBondContact O-N 2.77Å; R157-D160 VanDerWaalsContact O-N 3.11Å; D160-N222 PolarHBondContact O-N 2.89Å; D160-N222 VanDerWaalsContact O-N 3.11Å; D160-I223 WeakPolarHBondContact O-CG1 3.26Å; D160-I223 PolarHBondContact O-N 2.7Å | ||
| 161 | S | 87.8 | Confident | 84 | Confident | 82 Ų | 82 | 51.2 Ų | 51.2 | 57% | 0.573 | 32% | 0.32 | S | S | * | . | trans | -114.3 | 128.8 | 165.6 | -58.3 | 0 | 0 | 0 | 0 | 109 | M220 | S161-M220 CarbonylContact C-O 3.6Å; S161-M220 WeakPolarHBondContact CA-O 3.38Å | ||
| 162 | V | 88.1 | Confident | 82.7 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 144.4 | -178.7 | 169.3 | 0 | 0 | 0 | 0 | 109.1 | E154 A156 L164 M220 I223 L249 | E154-V162 HydrophobicContact CB-CG1 4.48Å; A156-V162 HydrophobicContact CB-CG2 3.55Å; V162-L164 HydrophobicContact CG1-CD2 4.02Å; V162-M220 PolarHBondContact N-O 2.78Å; V162-M220 WeakPolarHBondContact O-CA 3.24Å; V162-M220 WeakPolarHBondContact O-CB 3.43Å; V162-M220 PolarHBondContact O-N 3.08Å; V162-M220 VanDerWaalsContact O-O 3.11Å; V162-I223 HydrophobicContact CG2-CG1 4.49Å; V162-L249 HydrophobicContact CG1-CD1 4.38Å |
| 163 | T | 86.6 | Confident | 81.5 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.7 | 175.7 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | K217 L218 | T163-K217 HydrophobicContact CG2-CB 3.6Å; T163-K217 HydrophobicContact CG2-CD 4.19Å; T163-K217 HydrophobicContact CG2-CG 4.08Å; T163-L218 WeakPolarHBondContact CA-O 3.48Å |
| 164 | L | 88 | Confident | 80.1 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 131.9 | 175.4 | -53.7 | -176.7 | 0 | 0 | 0 | 109.8 | E154 V162 W181 K217 L218 M220 Y231 T247 | E154-L164 HydrophobicContact CB-CD2 4.14Å; E154-L164 HydrophobicContact CG-CD2 3.91Å; V162-L164 HydrophobicContact CG1-CD2 4.02Å; L164-W181 HydrophobicContact CB-CH2 3.85Å; L164-W181 HydrophobicContact CB-CZ3 4.05Å; L164-W181 HydrophobicContact CD1-CZ3 4.37Å; L164-K217 WeakPolarHBondContact O-CA 3.44Å; L164-L218 HydrophobicContact CB-CB 4.31Å; L164-L218 HydrophobicContact CD1-CD2 4.41Å; L164-L218 PolarHBondContact N-O 2.91Å; L164-L218 PolarHBondContact O-N 2.87Å; L164-M220 HydrophobicContact CD1-SD 3.97Å; L164-M220 HydrophobicContact CG-SD 4.2Å; L164-Y231 VanDerWaalsContact CD1-CB 3.46Å; L164-Y231 HydrophobicContact CD1-CD1 3.96Å; L164-Y231 HydrophobicContact CD1-CD2 3.71Å; L164-Y231 HydrophobicContact CD1-CE2 4.46Å; L164-Y231 HydrophobicContact CD1-CG 3.43Å; L164-Y231 VanDerWaalsContact CD1-CG 3.43Å; L164-T247 HydrophobicContact CD2-CG2 3.95Å |
| 165 | N | 88.8 | Confident | 78.6 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 135.8 | -176.4 | -66.3 | -21.8 | 0 | 0 | 0 | 111.1 | L215 | N165-L215 HydrophobicContact CB-CD1 3.99Å |
| 166 | C | 86.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 111.5 | 171.7 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | V148 W181 Y216 C233 | V148-C166 WeakPolarHBondContact CG1-SG 3.44Å; C166-W181 HydrophobicContact CB-CH2 3.73Å; C166-W181 HydrophobicContact CB-CZ2 3.46Å; C166-W181 VanDerWaalsContact CB-CZ2 3.46Å; C166-Y216 PolarHBondContact N-O 2.87Å; C166-Y216 PolarHBondContact O-N 2.85Å; C166-C233 HydrophobicContact CB-CB 3.56Å; C166-C233 WeakPolarHBondContact CB-SG 3.13Å; C166-C233 WeakPolarHBondContact SG-CB 3.35Å; C166-C233 CovalentContact SG-SG 2.03Å; C166-C233 PolarHBondContact SG-SG 2.91Å |
| 167 | T | 86.3 | Confident | 76.7 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126.6 | 175.6 | 44.1 | 0 | 0 | 0 | 0 | 109.5 | H149 C214 L215 | H149-T167 WeakPolarHBondContact CB-OG1 3.14Å; H149-T167 PolarHBondContact N-O 2.66Å; H149-T167 PolarHBondContact O-N 2.84Å; H149-T167 PolarHBondContact O-OG1 3.09Å; T167-C214 WeakPolarHBondContact CA-O 3.25Å; T167-L215 HydrophobicContact CG2-CB 4.45Å; T167-L215 HydrophobicContact CG2-CD1 3.57Å |
| 168 | V | 83 | Confident | 76.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 114.1 | -171.8 | -176.1 | 0 | 0 | 0 | 0 | 107.3 | A146 L147 T170 T213 C214 Y216 V235 | A146-V168 HydrophobicContact CB-CG1 4.22Å; L147-V168 WeakPolarHBondContact O-CA 2.93Å; V168-T170 HydrophobicContact CG1-CG2 3.73Å; V168-T213 CarbonylContact O-C 3.59Å; V168-T213 WeakPolarHBondContact O-CA 3.35Å; V168-C214 PolarHBondContact N-O 3.37Å; V168-C214 PolarHBondContact O-N 3.46Å; V168-Y216 HydrophobicContact CB-CE2 4.34Å; V168-Y216 HydrophobicContact CG2-CD2 3.78Å; V168-Y216 HydrophobicContact CG2-CE2 3.93Å; V168-V235 HydrophobicContact CB-CG2 4.26Å; V168-V235 HydrophobicContact CG1-CB 4.26Å; V168-V235 HydrophobicContact CG1-CG1 3.83Å; V168-V235 HydrophobicContact CG1-CG2 3.82Å; V168-V235 HydrophobicContact CG2-CG2 3.38Å |
| 169 | Q | 79.1 | Confident | 75.8 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 34% | 0.341 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 108.5 | 173.6 | -175.9 | 176.8 | -22.4 | 0 | 0 | 108.4 | A146 L147 | A146-Q169 CarbonylContact C-O 3.53Å; A146-Q169 WeakPolarHBondContact CA-O 3.2Å; L147-Q169 HydrophobicContact CB-CB 4.25Å; L147-Q169 PolarHBondContact N-O 2.97Å; L147-Q169 PolarHBondContact O-N 2Å |
| 170 | T | 70.2 | Confident | 75.7 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 135.9 | 178.1 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | A146 V168 H177 H212 | A146-T170 HydrophobicContact CB-CG2 3.92Å; V168-T170 HydrophobicContact CG1-CG2 3.73Å; T170-H177 WeakPolarHBondContact CG2-CE1 3.38Å; T170-H177 PolarHBondContact OG1-CE1 2.85Å; T170-H212 PolarHBondContact N-O 3.13Å; T170-H212 PolarHBondContact O-N 3.36Å; T170-H212 VanDerWaalsContact O-N 3.14Å; T170-H212 WeakPolarHBondContact OG1-CB 3.24Å; T170-H212 PolarHBondContact OG1-O 2.83Å; T170-H212 VanDerWaalsContact OG1-O 3.05Å |
| 171 | G | 64.9 | Low | 75.5 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 28% | 0.278 | 29% | 0.29 | S | S | . | . | trans | -75 | -132.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C173 | G171-C173 PolarHBondContact O-N 3.1Š| ||
| 172 | S | 58.2 | Low | 75.2 | Confident | 116 Ų | 116 | 49.3 Ų | 49.3 | 81% | 0.811 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -72.9 | 7 | -176.4 | 63.5 | 0 | 0 | 0 | 0 | 115.5 | Q174 | S172-Q174 PolarHBondContact O-N 3.02Š|
| 173 | C | 59.1 | Low | 75 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | trans | -80.3 | 97.2 | -177.6 | -78.2 | 0 | 0 | 0 | 0 | 110.7 | G171 G175 C238 | G171-C173 PolarHBondContact O-N 3.1Å; C173-G175 VanDerWaalsContact C-N 3.29Å; C173-G175 PolarHBondContact O-N 2.9Å; C173-G175 VanDerWaalsContact O-N 3.15Å; C173-C238 HydrophobicContact CB-CB 4.24Å; C173-C238 WeakPolarHBondContact CB-SG 3.28Å; C173-C238 WeakPolarHBondContact SG-CB 3.43Å; C173-C238 CovalentContact SG-SG 2.03Å; C173-C238 PolarHBondContact SG-SG 3.47Å | ||
| 174 | Q | 54.5 | Low | 74.5 | Confident | 184 Ų | 184 | 50.5 Ų | 50.5 | 86% | 0.86 | 27% | 0.267 | S | S | * | . | trans | -83.9 | 61 | 173.7 | -76.7 | -155.3 | -31.2 | 0 | 0 | 112.4 | S172 | S172-Q174 PolarHBondContact O-N 3.02Š| ||
| 175 | G | 57.6 | Low | 73.6 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -128.7 | 164.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C173 H177 | C173-G175 VanDerWaalsContact C-N 3.29Å; C173-G175 PolarHBondContact O-N 2.9Å; C173-G175 VanDerWaalsContact O-N 3.15Å; G175-H177 PolarHBondContact O-CD2 2.84Å; G175-H177 PolarHBondContact O-N 3.12Å; G175-H177 PolarHBondContact O-NE2 2.58Å |
| 176 | E | 59.4 | Low | 72.3 | Confident | 153 Ų | 153 | 53.7 Ų | 53.7 | 72% | 0.715 | 29% | 0.29 | S | S | * | . | trans | -63.6 | 125.9 | 169.1 | -74.4 | 176 | 174.9 | 0 | 0 | 110.1 | ||||
| 177 | H | 71.3 | Confident | 70.8 | Confident | 19 Ų | 19 | 62 Ų | 62 | 9% | 0.088 | 33% | 0.326 | C | S | . | . | trans | -97.9 | 131.7 | 178.2 | -58.1 | 134.6 | 0 | 0 | 0 | 110.1 | T170 G175 Y216 V235 S237 | T170-H177 WeakPolarHBondContact CG2-CE1 3.38Å; T170-H177 PolarHBondContact OG1-CE1 2.85Å; G175-H177 PolarHBondContact O-CD2 2.84Å; G175-H177 PolarHBondContact O-N 3.12Å; G175-H177 PolarHBondContact O-NE2 2.58Å; H177-Y216 PolarHBondContact O-OH 3.08Å; H177-V235 HydrophobicContact CB-CG1 4.4Å; H177-S237 WeakPolarHBondContact CD2-CB 3.2Å; H177-S237 PolarHBondContact CD2-OG 2.99Å; H177-S237 PolarHBondContact NE2-OG 3.05Å | ||
| 178 | R | 73.6 | Confident | 69.2 | Low | 121 Ų | 121 | 67.7 Ų | 67.7 | 46% | 0.457 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.7 | 174.9 | -66.8 | -176.1 | 177.8 | 166.1 | 2.7 | 110.4 | Y180 D198 V235 A236 | R178-Y180 HydrophobicContact CB-CE2 3.83Å; R178-Y180 WeakPolarHBondContact CD-OH 3.43Å; R178-D198 IonicContact NE-OD1 2.61Å; R178-V235 CarbonylContact O-C 3.42Å; R178-V235 WeakPolarHBondContact O-CA 3.49Å; R178-A236 HydrophobicContact CB-CB 4.39Å; R178-A236 PolarHBondContact N-O 3.03Å; R178-A236 VanDerWaalsContact N-O 3.14Å; R178-A236 PolarHBondContact O-N 2.88Å |
| 179 | V | 78.7 | Confident | 67.7 | Low | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131.2 | -178.2 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | H196 Y216 C233 A234 V235 | V179-H196 PolarHBondContact O-N 3.46Å; V179-Y216 HydrophobicContact CB-CD1 3.87Å; V179-Y216 HydrophobicContact CB-CD2 4.39Å; V179-Y216 HydrophobicContact CB-CE1 4.05Å; V179-Y216 HydrophobicContact CB-CG 4.03Å; V179-Y216 HydrophobicContact CG1-CD1 4.43Å; V179-Y216 HydrophobicContact CG1-CG 4.17Å; V179-Y216 HydrophobicContact CG2-CD1 3.71Å; V179-Y216 HydrophobicContact CG2-CD2 3.57Å; V179-Y216 HydrophobicContact CG2-CE1 3.56Å; V179-Y216 HydrophobicContact CG2-CE2 3.42Å; V179-Y216 VanDerWaalsContact CG2-CE2 3.42Å; V179-Y216 HydrophobicContact CG2-CG 3.69Å; V179-Y216 VanDerWaalsContact CG2-CZ 3.4Å; V179-C233 WeakPolarHBondContact CG1-SG 3.17Å; V179-A234 CarbonylContact C-O 3.58Å; V179-A234 WeakPolarHBondContact CA-O 3.09Å; V179-V235 HydrophobicContact CG2-CB 4.43Å; V179-V235 HydrophobicContact CG2-CG1 4.35Å; V179-V235 HydrophobicContact CG2-CG2 3.75Å |
| 180 | Y | 80.7 | Confident | 66.6 | Low | 28 Ų | 28 | 68 Ų | 68 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.1 | -178.2 | -56.6 | -80 | 0 | 0 | 0 | 109.3 | L64 R178 L192 A195 C233 A234 A236 | L64-Y180 HydrophobicContact CD2-CD1 4.39Å; L64-Y180 HydrophobicContact CD2-CE1 3.74Å; L64-Y180 HydrophobicContact CD2-CE2 3.95Å; L64-Y180 VanDerWaalsContact CD2-CZ 3.48Å; R178-Y180 HydrophobicContact CB-CE2 3.83Å; R178-Y180 WeakPolarHBondContact CD-OH 3.43Å; Y180-L192 HydrophobicContact CD1-CD1 4.14Å; Y180-L192 HydrophobicContact CG-CD1 4.49Å; Y180-A195 HydrophobicContact CD1-CB 3.78Å; Y180-A195 HydrophobicContact CE1-CB 3.96Å; Y180-C233 CarbonylContact O-C 3.59Å; Y180-A234 PolarHBondContact N-O 3.46Å; Y180-A234 PolarHBondContact O-N 3.3Å; Y180-A236 HydrophobicContact CE2-CB 3.93Å |
| 181 | W | 83.7 | Confident | 66 | Low | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.008 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 119.6 | 175 | -73.7 | 91.5 | 0 | 0 | 0 | 110 | L164 C166 V193 Y194 L218 Y232 C233 | L164-W181 HydrophobicContact CB-CH2 3.85Å; L164-W181 HydrophobicContact CB-CZ3 4.05Å; L164-W181 HydrophobicContact CD1-CZ3 4.37Å; C166-W181 HydrophobicContact CB-CH2 3.73Å; C166-W181 HydrophobicContact CB-CZ2 3.46Å; C166-W181 VanDerWaalsContact CB-CZ2 3.46Å; W181-V193 PolarHBondContact O-N 3.26Å; W181-Y194 PolarHBondContact N-O 3.12Å; W181-Y194 PolarHBondContact O-N 3.44Å; W181-L218 HydrophobicContact CB-CD2 4.01Å; W181-L218 HydrophobicContact CD2-CB 3.99Å; W181-L218 HydrophobicContact CD2-CD2 3.83Å; W181-L218 HydrophobicContact CD2-CG 4.47Å; W181-L218 HydrophobicContact CE3-CD2 3.99Å; W181-L218 HydrophobicContact CG-CB 4.29Å; W181-L218 HydrophobicContact CG-CD2 3.85Å; W181-L218 HydrophobicContact CG-CG 4.46Å; W181-L218 HydrophobicContact CZ2-CB 3.99Å; W181-Y232 WeakPolarHBondContact CA-O 3.26Å; W181-C233 HydrophobicContact CD2-CB 4.39Å; W181-C233 HydrophobicContact CE3-CB 4.2Å; W181-C233 HydrophobicContact CH2-CB 4.05Å; W181-C233 HydrophobicContact CZ2-CB 4.21Å; W181-C233 HydrophobicContact CZ3-CB 4.04Å |
| 182 | F | 81.8 | Confident | 65.8 | Low | 35 Ų | 35 | 72.4 Ų | 72.4 | 15% | 0.154 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 140.1 | 175 | -64.7 | -88.4 | 0 | 0 | 0 | 109.5 | G191 L192 Y231 Y232 A234 F243 | F182-G191 WeakPolarHBondContact CA-O 2.95Å; F182-L192 HydrophobicContact CD1-CB 4.37Å; F182-L192 HydrophobicContact CD1-CD1 4.35Å; F182-L192 HydrophobicContact CE1-CB 4.18Å; F182-L192 HydrophobicContact CE1-CD1 3.97Å; F182-L192 HydrophobicContact CE2-CD1 4.4Å; F182-L192 HydrophobicContact CZ-CD1 4Å; F182-Y231 CarbonylContact O-C 3.54Å; F182-Y231 WeakPolarHBondContact O-CA 3.34Å; F182-Y232 PolarHBondContact N-O 3.22Å; F182-Y232 PolarHBondContact O-N 2.93Å; F182-A234 HydrophobicContact CD2-CB 3.92Å; F182-A234 HydrophobicContact CE2-CB 3.67Å; F182-F243 AromaticContact CD2-CE1 3.81Å; F182-F243 HydrophobicContact CD2-CE1 3.81Å; F182-F243 HydrophobicContact CD2-CZ 4.28Å; F182-F243 HydrophobicContact CE2-CE1 4.07Å; F182-F243 HydrophobicContact CE2-CZ 4.06Å |
| 183 | R | 82.5 | Confident | 65.9 | Low | 43 Ų | 43 | 70.3 Ų | 70.3 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 126.1 | 175.5 | -179.5 | -169.2 | 174.4 | -161.5 | -11.8 | 110.8 | P190 G191 V193 S226 H227 V228 T230 Y231 | R183-P190 WeakPolarHBondContact O-CA 3.19Å; R183-P190 WeakPolarHBondContact O-CB 3.07Å; R183-G191 PolarHBondContact N-O 3.22Å; R183-G191 PolarHBondContact O-N 2.95Å; R183-V193 HydrophobicContact CB-CB 4.38Å; R183-V193 HydrophobicContact CB-CG2 3.19Å; R183-V193 HydrophobicContact CG-CG2 4.25Å; R183-S226 PolarHBondContact NH1-O 3.31Å; R183-S226 VanDerWaalsContact NH2-C 3.33Å; R183-S226 PolarHBondContact NH2-O 3.2Å; R183-H227 PolarHBondContact NH2-O 3.42Å; R183-V228 PolarHBondContact NH2-O 2.94Å; R183-T230 WeakPolarHBondContact CA-O 3.48Å; R183-Y231 HydrophobicContact CB-CD1 3.94Å; R183-Y231 HydrophobicContact CB-CE1 3.85Å; R183-Y231 VanDerWaalsContact CD-CZ 3.49Å; R183-Y231 VanDerWaalsContact CD-OH 3.26Å; R183-Y231 WeakPolarHBondContact CD-OH 3.4Å; R183-Y231 HydrophobicContact CG-CD1 4.03Å; R183-Y231 HydrophobicContact CG-CE1 3.65Å; R183-Y231 HydrophobicContact CG-CE2 4.17Å; R183-Y231 HydrophobicContact CG-CG 4.45Å; R183-Y231 PolarHBondContact NE-OH 3.3Å; R183-Y231 VanDerWaalsContact NE-OH 3.09Å |
| 184 | K | 76 | Confident | 66 | Low | 66 Ų | 66 | 74 Ų | 74 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 107.9 | 168.2 | -177.2 | 179.7 | -170.6 | -179.7 | 0 | 110.4 | F35 P190 G229 T230 Y232 | F35-K184 HydrophobicContact CE1-CD 3.82Å; F35-K184 HydrophobicContact CE1-CG 4.4Å; F35-K184 HydrophobicContact CZ-CD 4.21Å; K184-P190 HydrophobicContact CB-CB 4.16Å; K184-P190 HydrophobicContact CB-CG 3.64Å; K184-P190 HydrophobicContact CD-CG 4.4Å; K184-P190 HydrophobicContact CG-CG 3.67Å; K184-G229 CarbonylContact O-C 3.56Å; K184-G229 VanDerWaalsContact O-CA 3.3Å; K184-G229 WeakPolarHBondContact O-CA 3.46Å; K184-T230 PolarHBondContact N-O 2.93Å; K184-T230 PolarHBondContact O-N 2.89Å; K184-Y232 HydrophobicContact CB-CD2 4.42Å; K184-Y232 HydrophobicContact CB-CE2 3.76Å; K184-Y232 HydrophobicContact CD-CE2 4.08Å |
| 185 | S | 69.9 | Low | 66.1 | Low | 25 Ų | 25 | 67.8 Ų | 67.8 | 18% | 0.175 | 35% | 0.347 | C | S | . | . | trans | -84.3 | 160.4 | 170 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | K187 | S185-K187 VanDerWaalsContact C-N 3.27Å; S185-K187 PolarHBondContact OG-N 3.14Å | ||
| 186 | T | 62.2 | Low | 66.2 | Low | 117 Ų | 117 | 67.1 Ų | 67.1 | 72% | 0.718 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -71.5 | -23.9 | 171.5 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 187 | K | 54.7 | Low | 65.6 | Low | 173 Ų | 173 | 62.2 Ų | 62.2 | 75% | 0.752 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -104.4 | -20 | -176.2 | -69.4 | -170.5 | 176.9 | -169.7 | 0 | 114.8 | S185 | S185-K187 VanDerWaalsContact C-N 3.27Å; S185-K187 PolarHBondContact OG-N 3.14Å |
| 188 | Y | 53.2 | Low | 64.4 | Low | 171 Ų | 171 | 65.6 Ų | 65.6 | 67% | 0.671 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -130.3 | 149.5 | -172.7 | -57.1 | -72.3 | 0 | 0 | 0 | 111.4 | ||
| 189 | D | 51.3 | Low | 63.3 | Low | 67 Ų | 67 | 64.8 Ų | 64.8 | 36% | 0.358 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 141.2 | 169.8 | -84.7 | -7.7 | 0 | 0 | 0 | 111.1 | G34 G191 | G34-D189 WeakPolarHBondContact CA-OD1 2.7Å; G34-D189 PolarHBondContact N-OD1 3.25Å; D189-G191 PolarHBondContact O-N 3.05Å; D189-G191 VanDerWaalsContact O-N 3.16Å |
| 190 | P | 55.1 | Low | 62.4 | Low | 13 Ų | 13 | 65.9 Ų | 65.9 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 120.8 | -168.9 | -32.8 | 47.6 | 0 | 0 | 0 | 113.1 | G34 F35 R183 K184 | G34-P190 VanDerWaalsContact CA-CD 3.4Å; F35-P190 HydrophobicContact CD1-CB 3.76Å; F35-P190 HydrophobicContact CD1-CG 3.21Å; F35-P190 HydrophobicContact CE1-CB 4.22Å; F35-P190 HydrophobicContact CE1-CG 3.49Å; F35-P190 VanDerWaalsContact CE1-CG 3.49Å; F35-P190 HydrophobicContact CG-CB 4.25Å; F35-P190 HydrophobicContact CG-CG 4.16Å; R183-P190 WeakPolarHBondContact O-CA 3.19Å; R183-P190 WeakPolarHBondContact O-CB 3.07Å; K184-P190 HydrophobicContact CB-CB 4.16Å; K184-P190 HydrophobicContact CB-CG 3.64Å; K184-P190 HydrophobicContact CD-CG 4.4Å; K184-P190 HydrophobicContact CG-CG 3.67Å |
| 191 | G | 57.3 | Low | 61.5 | Low | 36 Ų | 36 | 68.3 Ų | 68.3 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 150.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F182 R183 D189 V193 | F182-G191 WeakPolarHBondContact CA-O 2.95Å; R183-G191 PolarHBondContact N-O 3.22Å; R183-G191 PolarHBondContact O-N 2.95Å; D189-G191 PolarHBondContact O-N 3.05Å; D189-G191 VanDerWaalsContact O-N 3.16Å; G191-V193 PolarHBondContact O-N 2.85Å |
| 192 | L | 60.7 | Low | 60.9 | Low | 84 Ų | 84 | 73.5 Ų | 73.5 | 44% | 0.44 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 118.9 | 164.5 | -178.1 | 71.5 | 0 | 0 | 0 | 107.9 | Y180 F182 A195 | Y180-L192 HydrophobicContact CD1-CD1 4.14Å; Y180-L192 HydrophobicContact CG-CD1 4.49Å; F182-L192 HydrophobicContact CD1-CB 4.37Å; F182-L192 HydrophobicContact CD1-CD1 4.35Å; F182-L192 HydrophobicContact CE1-CB 4.18Å; F182-L192 HydrophobicContact CE1-CD1 3.97Å; F182-L192 HydrophobicContact CE2-CD1 4.4Å; F182-L192 HydrophobicContact CZ-CD1 4Å; L192-A195 HydrophobicContact CD2-CB 4.4Å |
| 193 | V | 61.4 | Low | 60.5 | Low | 72 Ų | 72 | 75.1 Ų | 75.1 | 44% | 0.436 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -34.7 | 178.7 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | W181 R183 G191 | W181-V193 PolarHBondContact O-N 3.26Å; R183-V193 HydrophobicContact CB-CB 4.38Å; R183-V193 HydrophobicContact CB-CG2 3.19Å; R183-V193 HydrophobicContact CG-CG2 4.25Å; G191-V193 PolarHBondContact O-N 2.85Å |
| 194 | Y | 61.2 | Low | 60 | Low | 101 Ų | 101 | 79.1 Ų | 79.1 | 40% | 0.396 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 136.6 | -174.5 | -167.4 | -112.1 | 0 | 0 | 0 | 110.5 | W181 H196 L218 | W181-Y194 PolarHBondContact N-O 3.12Å; W181-Y194 PolarHBondContact O-N 3.44Å; Y194-H196 HydrophobicContact CE1-CB 4.15Å; Y194-H196 AromaticContact CE1-ND1 3.47Å; Y194-H196 WeakPolarHBondContact CE1-ND1 3.3Å; Y194-L218 HydrophobicContact CD1-CD1 3.75Å; Y194-L218 HydrophobicContact CE1-CD1 4.49Å; Y194-L218 HydrophobicContact CG-CD1 3.78Å |
| 195 | A | 56.5 | Low | 59.6 | Low | 53 Ų | 53 | 79.9 Ų | 79.9 | 44% | 0.438 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 113.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | Y180 L192 | Y180-A195 HydrophobicContact CD1-CB 3.78Å; Y180-A195 HydrophobicContact CE1-CB 3.96Å; L192-A195 HydrophobicContact CD2-CB 4.4Å |
| 196 | H | 59.5 | Low | 59.2 | Low | 31 Ų | 31 | 80.6 Ų | 80.6 | 14% | 0.144 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 122.7 | 179.2 | -158.3 | 69.4 | 0 | 0 | 0 | 109.4 | V179 Y194 T199 Y216 | V179-H196 PolarHBondContact O-N 3.46Å; Y194-H196 HydrophobicContact CE1-CB 4.15Å; Y194-H196 AromaticContact CE1-ND1 3.47Å; Y194-H196 WeakPolarHBondContact CE1-ND1 3.3Å; H196-T199 PolarHBondContact CD2-O 3.11Å; H196-T199 PolarHBondContact NE2-O 2.92Å; H196-Y216 AromaticContact CD2-CD1 3.92Å |
| 197 | G | 45.5 | Very low | 58.9 | Low | 49 Ų | 49 | 80.8 Ų | 80.8 | 51% | 0.505 | 46% | 0.455 | S | S | . | . | trans | -86 | 113 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T199 | G197-T199 PolarHBondContact O-N 3.02Å; G197-T199 PolarHBondContact O-OG1 3.11Å | ||
| 198 | D | 46.1 | Very low | 59.1 | Low | 91 Ų | 91 | 80 Ų | 80 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 54.8 | -6.6 | 156.6 | -57.9 | -22.5 | 0 | 0 | 0 | 120.7 | R178 | R178-D198 IonicContact NE-OD1 2.61Š|
| 199 | T | 51 | Low | 59.3 | Low | 103 Ų | 103 | 76 Ų | 76 | 63% | 0.632 | 45% | 0.452 | S | S | * | . | trans | -125.9 | 89.7 | -173.5 | -16.1 | 0 | 0 | 0 | 0 | 112.8 | H196 G197 D201 | H196-T199 PolarHBondContact CD2-O 3.11Å; H196-T199 PolarHBondContact NE2-O 2.92Å; G197-T199 PolarHBondContact O-N 3.02Å; G197-T199 PolarHBondContact O-OG1 3.11Å; T199-D201 PolarHBondContact O-N 3.41Å | ||
| 200 | A | 59.4 | Low | 59.8 | Low | 23 Ų | 23 | 80.4 Ų | 80.4 | 19% | 0.19 | 47% | 0.471 | C | S | . | . | trans | -55.3 | 138.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q202 C203 C214 Y216 | A200-Q202 VanDerWaalsContact C-N 3.27Å; A200-Q202 PolarHBondContact O-N 2.83Å; A200-C203 WeakPolarHBondContact CB-SG 3.31Å; A200-C214 HydrophobicContact CB-CB 4.09Å; A200-Y216 HydrophobicContact CB-CD1 4.31Å; A200-Y216 HydrophobicContact CB-CE1 3.68Å; A200-Y216 HydrophobicContact CB-CE2 4.22Å | ||
| 201 | D | 63.4 | Low | 60.3 | Low | 80 Ų | 80 | 81 Ų | 81 | 43% | 0.428 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -63.9 | -37.4 | -177.2 | -65.4 | -53.1 | 0 | 0 | 0 | 111.2 | T199 L215 K217 | T199-D201 PolarHBondContact O-N 3.41Å; D201-L215 PolarHBondContact N-O 3.36Å; D201-K217 WeakPolarHBondContact OD2-CB 3.38Å; D201-K217 WeakPolarHBondContact OD2-CG 3.35Å; D201-K217 PolarHBondContact OD2-N 2.61Å |
| 202 | Q | 69.4 | Low | 61.1 | Low | 110 Ų | 110 | 81.8 Ų | 81.8 | 51% | 0.514 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 122.6 | 176.3 | -60.6 | -179.7 | 7.9 | 0 | 0 | 109.6 | A200 C214 L215 | A200-Q202 VanDerWaalsContact C-N 3.27Å; A200-Q202 PolarHBondContact O-N 2.83Å; Q202-C214 CarbonylContact O-C 3.53Å; Q202-C214 WeakPolarHBondContact O-CA 2.91Å; Q202-L215 PolarHBondContact O-N 3.28Å |
| 203 | C | 74.8 | Confident | 62 | Low | 70 Ų | 70 | 80.1 Ų | 80.1 | 47% | 0.473 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.1 | 167.2 | -70.6 | 0 | 0 | 0 | 0 | 109.6 | A200 T213 C214 | A200-C203 WeakPolarHBondContact CB-SG 3.31Å; C203-T213 WeakPolarHBondContact CA-O 3.37Å; C203-C214 HydrophobicContact CB-CB 4.22Å; C203-C214 WeakPolarHBondContact CB-SG 3.08Å; C203-C214 WeakPolarHBondContact SG-CB 3.3Å; C203-C214 CovalentContact SG-SG 2.05Å; C203-C214 PolarHBondContact SG-SG 2.63Å |
| 204 | L | 72.1 | Confident | 63 | Low | 126 Ų | 126 | 76.9 Ų | 76.9 | 66% | 0.66 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.9 | 175.1 | -63.4 | 173.8 | 0 | 0 | 0 | 108.6 | T213 | L204-T213 PolarHBondContact N-O 3.41Å; L204-T213 PolarHBondContact O-N 3.27Å |
| 205 | T | 67.4 | Low | 64.1 | Low | 82 Ų | 82 | 73.7 Ų | 73.7 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.1 | 170.4 | -54.3 | 0 | 0 | 0 | 0 | 108.2 | P207 H212 | T205-P207 WeakPolarHBondContact O-CD 3.32Å; T205-H212 PolarHBondContact OG1-CD2 3.1Å; T205-H212 PolarHBondContact OG1-NE2 2.76Å |
| 206 | S | 61.5 | Low | 65.4 | Low | 41 Ų | 41 | 71.7 Ų | 71.7 | 29% | 0.287 | 41% | 0.413 | S | S | . | . | trans | -74.7 | 119.2 | 171.6 | 175.2 | 0 | 0 | 0 | 0 | 109.2 | D208 T209 Q210 T211 | S206-D208 VanDerWaalsContact C-N 3.26Å; S206-D208 PolarHBondContact O-N 2.75Å; S206-T209 VanDerWaalsContact CB-OG1 3.28Å; S206-T209 WeakPolarHBondContact CB-OG1 3.29Å; S206-T209 PolarHBondContact OG-OG1 2.82Å; S206-Q210 PolarHBondContact O-N 3.05Å; S206-T211 PolarHBondContact N-O 2.62Å; S206-T211 VanDerWaalsContact N-O 3.07Å | ||
| 207 | P | 55.8 | Low | 66.6 | Low | 121 Ų | 121 | 73.6 Ų | 73.6 | 79% | 0.786 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26.1 | -179.1 | 24.4 | -30.8 | 0 | 0 | 0 | 113 | T205 | T205-P207 WeakPolarHBondContact O-CD 3.32Š|
| 208 | D | 59 | Low | 68.4 | Low | 156 Ų | 156 | 71.6 Ų | 71.6 | 83% | 0.834 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -28.4 | -176.3 | -77.2 | -26.7 | 0 | 0 | 0 | 114.1 | S206 | S206-D208 VanDerWaalsContact C-N 3.26Å; S206-D208 PolarHBondContact O-N 2.75Å |
| 209 | T | 57.3 | Low | 70.3 | Confident | 86 Ų | 86 | 71.2 Ų | 71.2 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -4.2 | -169.8 | 50.4 | 0 | 0 | 0 | 0 | 114 | S206 T211 | S206-T209 VanDerWaalsContact CB-OG1 3.28Å; S206-T209 WeakPolarHBondContact CB-OG1 3.29Å; S206-T209 PolarHBondContact OG-OG1 2.82Å; T209-T211 PolarHBondContact O-N 3.38Å; T209-T211 PolarHBondContact OG1-OG1 3.29Å |
| 210 | Q | 61.1 | Low | 71.8 | Confident | 160 Ų | 160 | 67.3 Ų | 67.3 | 75% | 0.748 | 38% | 0.376 | S | S | * | . | trans | 53.6 | 18.3 | -171.1 | -62.8 | -178.9 | -4.5 | 0 | 0 | 114.1 | S206 | S206-Q210 PolarHBondContact O-N 3.05Š| ||
| 211 | T | 66.5 | Low | 73 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 16% | 0.16 | 40% | 0.397 | C | S | . | . | trans | -86.2 | 134.5 | 178.4 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | S206 T209 | S206-T211 PolarHBondContact N-O 2.62Å; S206-T211 VanDerWaalsContact N-O 3.07Å; T209-T211 PolarHBondContact O-N 3.38Å; T209-T211 PolarHBondContact OG1-OG1 3.29Å | ||
| 212 | H | 74.1 | Confident | 73.9 | Confident | 52 Ų | 52 | 73.5 Ų | 73.5 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 114.3 | 176.5 | -65.5 | 78.4 | 0 | 0 | 0 | 109.2 | T170 T205 | T170-H212 PolarHBondContact N-O 3.13Å; T170-H212 PolarHBondContact O-N 3.36Å; T170-H212 VanDerWaalsContact O-N 3.14Å; T170-H212 WeakPolarHBondContact OG1-CB 3.24Å; T170-H212 PolarHBondContact OG1-O 2.83Å; T170-H212 VanDerWaalsContact OG1-O 3.05Å; T205-H212 PolarHBondContact OG1-CD2 3.1Å; T205-H212 PolarHBondContact OG1-NE2 2.76Å |
| 213 | T | 80.1 | Confident | 74.7 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 30% | 0.301 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116 | 178 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | V168 C203 L204 | V168-T213 CarbonylContact O-C 3.59Å; V168-T213 WeakPolarHBondContact O-CA 3.35Å; C203-T213 WeakPolarHBondContact CA-O 3.37Å; L204-T213 PolarHBondContact N-O 3.41Å; L204-T213 PolarHBondContact O-N 3.27Å |
| 214 | C | 81.1 | Confident | 75.2 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.034 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 137.3 | -179 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | T167 V168 A200 Q202 C203 Y216 | T167-C214 WeakPolarHBondContact CA-O 3.25Å; V168-C214 PolarHBondContact N-O 3.37Å; V168-C214 PolarHBondContact O-N 3.46Å; A200-C214 HydrophobicContact CB-CB 4.09Å; Q202-C214 CarbonylContact O-C 3.53Å; Q202-C214 WeakPolarHBondContact O-CA 2.91Å; C203-C214 HydrophobicContact CB-CB 4.22Å; C203-C214 WeakPolarHBondContact CB-SG 3.08Å; C203-C214 WeakPolarHBondContact SG-CB 3.3Å; C203-C214 CovalentContact SG-SG 2.05Å; C203-C214 PolarHBondContact SG-SG 2.63Å; C214-Y216 HydrophobicContact CB-CD2 4.41Å; C214-Y216 HydrophobicContact CB-CE2 3.7Å |
| 215 | L | 85.2 | Confident | 75.6 | Confident | 34 Ų | 34 | 73.8 Ų | 73.8 | 18% | 0.178 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124 | 175.8 | 176.1 | 64.7 | 0 | 0 | 0 | 109.7 | N165 T167 D201 Q202 K217 | N165-L215 HydrophobicContact CB-CD1 3.99Å; T167-L215 HydrophobicContact CG2-CB 4.45Å; T167-L215 HydrophobicContact CG2-CD1 3.57Å; D201-L215 PolarHBondContact N-O 3.36Å; Q202-L215 PolarHBondContact O-N 3.28Å; L215-K217 VanDerWaalsContact CD2-CE 3.45Å; L215-K217 HydrophobicContact CG-CG 4.29Å |
| 216 | Y | 83.4 | Confident | 76.2 | Confident | 10 Ų | 10 | 73.5 Ų | 73.5 | 4% | 0.039 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.3 | 174.3 | -64.7 | -91.8 | 0 | 0 | 0 | 109.6 | C166 V168 H177 V179 H196 A200 C214 | C166-Y216 PolarHBondContact N-O 2.87Å; C166-Y216 PolarHBondContact O-N 2.85Å; V168-Y216 HydrophobicContact CB-CE2 4.34Å; V168-Y216 HydrophobicContact CG2-CD2 3.78Å; V168-Y216 HydrophobicContact CG2-CE2 3.93Å; H177-Y216 PolarHBondContact O-OH 3.08Å; V179-Y216 HydrophobicContact CB-CD1 3.87Å; V179-Y216 HydrophobicContact CB-CD2 4.39Å; V179-Y216 HydrophobicContact CB-CE1 4.05Å; V179-Y216 HydrophobicContact CB-CG 4.03Å; V179-Y216 HydrophobicContact CG1-CD1 4.43Å; V179-Y216 HydrophobicContact CG1-CG 4.17Å; V179-Y216 HydrophobicContact CG2-CD1 3.71Å; V179-Y216 HydrophobicContact CG2-CD2 3.57Å; V179-Y216 HydrophobicContact CG2-CE1 3.56Å; V179-Y216 HydrophobicContact CG2-CE2 3.42Å; V179-Y216 VanDerWaalsContact CG2-CE2 3.42Å; V179-Y216 HydrophobicContact CG2-CG 3.69Å; V179-Y216 VanDerWaalsContact CG2-CZ 3.4Å; H196-Y216 AromaticContact CD2-CD1 3.92Å; A200-Y216 HydrophobicContact CB-CD1 4.31Å; A200-Y216 HydrophobicContact CB-CE1 3.68Å; A200-Y216 HydrophobicContact CB-CE2 4.22Å; C214-Y216 HydrophobicContact CB-CD2 4.41Å; C214-Y216 HydrophobicContact CB-CE2 3.7Å |
| 217 | K | 83.5 | Confident | 77.2 | Confident | 72 Ų | 72 | 73.9 Ų | 73.9 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134.6 | -179.6 | -61.5 | 179.8 | -179 | 175.4 | 0 | 110.6 | T163 L164 D201 L215 P219 | T163-K217 HydrophobicContact CG2-CB 3.6Å; T163-K217 HydrophobicContact CG2-CD 4.19Å; T163-K217 HydrophobicContact CG2-CG 4.08Å; L164-K217 WeakPolarHBondContact O-CA 3.44Å; D201-K217 WeakPolarHBondContact OD2-CB 3.38Å; D201-K217 WeakPolarHBondContact OD2-CG 3.35Å; D201-K217 PolarHBondContact OD2-N 2.61Å; L215-K217 VanDerWaalsContact CD2-CE 3.45Å; L215-K217 HydrophobicContact CG-CG 4.29Å; K217-P219 WeakPolarHBondContact O-CD 3.4Å |
| 218 | L | 84.7 | Confident | 78.5 | Confident | 7 Ų | 7 | 70.1 Ų | 70.1 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 96.4 | 167.3 | 178.7 | 65.3 | 0 | 0 | 0 | 108.4 | T163 L164 W181 Y194 M220 Y231 | T163-L218 WeakPolarHBondContact CA-O 3.48Å; L164-L218 HydrophobicContact CB-CB 4.31Å; L164-L218 HydrophobicContact CD1-CD2 4.41Å; L164-L218 PolarHBondContact N-O 2.91Å; L164-L218 PolarHBondContact O-N 2.87Å; W181-L218 HydrophobicContact CB-CD2 4.01Å; W181-L218 HydrophobicContact CD2-CB 3.99Å; W181-L218 HydrophobicContact CD2-CD2 3.83Å; W181-L218 HydrophobicContact CD2-CG 4.47Å; W181-L218 HydrophobicContact CE3-CD2 3.99Å; W181-L218 HydrophobicContact CG-CB 4.29Å; W181-L218 HydrophobicContact CG-CD2 3.85Å; W181-L218 HydrophobicContact CG-CG 4.46Å; W181-L218 HydrophobicContact CZ2-CB 3.99Å; Y194-L218 HydrophobicContact CD1-CD1 3.75Å; Y194-L218 HydrophobicContact CE1-CD1 4.49Å; Y194-L218 HydrophobicContact CG-CD1 3.78Å; L218-M220 HydrophobicContact CD2-CG 4.48Å; L218-M220 HydrophobicContact CD2-SD 4.49Å; L218-M220 HydrophobicContact CG-CG 4.22Å; L218-Y231 HydrophobicContact CD2-CD1 4.12Å |
| 219 | P | 85.3 | Confident | 79.8 | Confident | 82 Ų | 82 | 63 Ų | 63 | 53% | 0.532 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 132.7 | 173.6 | 29.6 | -32.9 | 0 | 0 | 0 | 109.7 | K217 | K217-P219 WeakPolarHBondContact O-CD 3.4Å |
| 220 | M | 82.3 | Confident | 81.2 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 11% | 0.108 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 122.6 | 177 | -62.4 | -178.7 | 66.6 | 0 | 0 | 109.1 | S161 V162 L164 L218 I223 H227 Y231 L249 | S161-M220 CarbonylContact C-O 3.6Å; S161-M220 WeakPolarHBondContact CA-O 3.38Å; V162-M220 PolarHBondContact N-O 2.78Å; V162-M220 WeakPolarHBondContact O-CA 3.24Å; V162-M220 WeakPolarHBondContact O-CB 3.43Å; V162-M220 PolarHBondContact O-N 3.08Å; V162-M220 VanDerWaalsContact O-O 3.11Å; L164-M220 HydrophobicContact CD1-SD 3.97Å; L164-M220 HydrophobicContact CG-SD 4.2Å; L218-M220 HydrophobicContact CD2-CG 4.48Å; L218-M220 HydrophobicContact CD2-SD 4.49Å; L218-M220 HydrophobicContact CG-CG 4.22Å; M220-I223 HydrophobicContact CB-CD1 3.66Å; M220-I223 HydrophobicContact CE-CD1 4.04Å; M220-H227 HydrophobicContact CE-CB 4.07Å; M220-Y231 HydrophobicContact CE-CE1 3.86Å; M220-Y231 HydrophobicContact CE-CE2 4.25Å; M220-Y231 VanDerWaalsContact CE-CZ 3.47Å; M220-Y231 WeakPolarHBondContact CE-OH 3.33Å; M220-Y231 HydrophobicContact SD-CE1 3.96Å; M220-Y231 HydrophobicContact SD-CE2 4.4Å; M220-L249 HydrophobicContact CE-CD2 3.89Å; M220-L249 HydrophobicContact SD-CD2 4.15Å |
| 221 | E | 85.4 | Confident | 82.4 | Confident | 138 Ų | 138 | 52.9 Ų | 52.9 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | trans | -106.9 | 156.9 | -179.4 | -61.8 | -177.5 | 179.3 | 0 | 0 | 111.5 | I223 | E221-I223 PolarHBondContact O-N 2.91Š| ||
| 222 | N | 83.1 | Confident | 83.4 | Confident | 95 Ų | 95 | 53.5 Ų | 53.5 | 51% | 0.508 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 51.8 | 58.9 | 173.6 | -64.7 | -68.5 | 0 | 0 | 0 | 112.2 | D160 K224 H227 | D160-N222 PolarHBondContact O-N 2.89Å; D160-N222 VanDerWaalsContact O-N 3.11Å; N222-K224 PolarHBondContact O-N 3.48Å; N222-H227 PolarHBondContact O-CE1 2.98Å; N222-H227 PolarHBondContact O-ND1 3.07Å |
| 223 | I | 86.2 | Confident | 84 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | trans | -58 | 132.2 | -177 | -58.7 | -51.5 | 0 | 0 | 0 | 110.9 | A156 P158 G159 D160 V162 M220 E221 H227 L249 L251 | A156-I223 HydrophobicContact CB-CB 4.26Å; A156-I223 HydrophobicContact CB-CG1 4.08Å; A156-I223 HydrophobicContact CB-CG2 4.12Å; P158-I223 CarbonylContact C-O 3.54Å; P158-I223 WeakPolarHBondContact CA-O 3.45Å; G159-I223 PolarHBondContact N-O 3.26Å; D160-I223 WeakPolarHBondContact O-CG1 3.26Å; D160-I223 PolarHBondContact O-N 2.7Å; V162-I223 HydrophobicContact CG2-CG1 4.49Å; M220-I223 HydrophobicContact CB-CD1 3.66Å; M220-I223 HydrophobicContact CE-CD1 4.04Å; E221-I223 PolarHBondContact O-N 2.91Å; I223-H227 HydrophobicContact CG2-CB 4.21Å; I223-L249 HydrophobicContact CD1-CD2 4.26Å; I223-L249 HydrophobicContact CG2-CD2 4.42Å; I223-L251 HydrophobicContact CG2-CD2 3.73Å | ||
| 224 | K | 83.8 | Confident | 84.1 | Confident | 129 Ų | 129 | 48.7 Ų | 48.7 | 56% | 0.561 | 25% | 0.247 | S | C | * | . | trans | -132.8 | 169.9 | -179.1 | -71.7 | 174 | -172.3 | 177.6 | 0 | 109.4 | N222 S226 H227 | N222-K224 PolarHBondContact O-N 3.48Å; K224-S226 PolarHBondContact O-N 2.85Å; K224-S226 VanDerWaalsContact O-N 3.1Å; K224-H227 PolarHBondContact N-ND1 2.77Å; K224-H227 VanDerWaalsContact N-ND1 3.13Å; K224-H227 WeakPolarHBondContact O-CB 3.41Å; K224-H227 PolarHBondContact O-N 3.07Å | ||
| 225 | K | 82.1 | Confident | 84.1 | Confident | 182 Ų | 182 | 48.5 Ų | 48.5 | 79% | 0.791 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -55 | -31.8 | 174.2 | -171 | 174.6 | -176.8 | 174 | 0 | 112.6 | H227 V228 L251 | K225-H227 PolarHBondContact O-N 3.4Å; K225-V228 PolarHBondContact O-N 3.47Å; K225-L251 HydrophobicContact CB-CD1 4.14Å |
| 226 | S | 79.3 | Confident | 83.7 | Confident | 75 Ų | 75 | 48.1 Ų | 48.1 | 52% | 0.524 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -69.2 | -7.8 | 174.8 | 58.7 | 0 | 0 | 0 | 0 | 114.3 | R183 K224 | R183-S226 PolarHBondContact NH1-O 3.31Å; R183-S226 VanDerWaalsContact NH2-C 3.33Å; R183-S226 PolarHBondContact NH2-O 3.2Å; K224-S226 PolarHBondContact O-N 2.85Å; K224-S226 VanDerWaalsContact O-N 3.1Å |
| 227 | H | 81.4 | Confident | 83.3 | Confident | 49 Ų | 49 | 48.1 Ų | 48.1 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -99.1 | -11.7 | 177.5 | -62.2 | 143.5 | 0 | 0 | 0 | 113.4 | R183 M220 N222 I223 K224 K225 G229 Y231 L249 | R183-H227 PolarHBondContact NH2-O 3.42Å; M220-H227 HydrophobicContact CE-CB 4.07Å; N222-H227 PolarHBondContact O-CE1 2.98Å; N222-H227 PolarHBondContact O-ND1 3.07Å; I223-H227 HydrophobicContact CG2-CB 4.21Å; K224-H227 PolarHBondContact N-ND1 2.77Å; K224-H227 VanDerWaalsContact N-ND1 3.13Å; K224-H227 WeakPolarHBondContact O-CB 3.41Å; K224-H227 PolarHBondContact O-N 3.07Å; K225-H227 PolarHBondContact O-N 3.4Å; H227-G229 PolarHBondContact O-N 3.49Å; H227-Y231 WeakPolarHBondContact O-CE2 3.3Å; H227-Y231 PolarHBondContact O-OH 3.49Å; H227-L249 HydrophobicContact CB-CD2 4.42Å |
| 228 | V | 84.7 | Confident | 82.7 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 26% | 0.261 | 26% | 0.262 | S | S | . | . | trans | -60.5 | 133 | 177.1 | 176.1 | 0 | 0 | 0 | 0 | 111 | R183 K225 L251 | R183-V228 PolarHBondContact NH2-O 2.94Å; K225-V228 PolarHBondContact O-N 3.47Å; V228-L251 HydrophobicContact CG2-CB 4.36Å; V228-L251 HydrophobicContact CG2-CD1 3.94Å; V228-L251 HydrophobicContact CG2-CG 3.71Å | ||
| 229 | G | 85.9 | Confident | 81.6 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.4 | -176.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K184 H227 L249 | K184-G229 CarbonylContact O-C 3.56Å; K184-G229 VanDerWaalsContact O-CA 3.3Å; K184-G229 WeakPolarHBondContact O-CA 3.46Å; H227-G229 PolarHBondContact O-N 3.49Å; G229-L249 PolarHBondContact N-O 2.93Å; G229-L249 PolarHBondContact O-N 3.28Å |
| 230 | T | 87 | Confident | 80.7 | Confident | 32 Ų | 32 | 51 Ų | 51 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.4 | 175.7 | -51.3 | 0 | 0 | 0 | 0 | 110 | R183 K184 Y232 T247 | R183-T230 WeakPolarHBondContact CA-O 3.48Å; K184-T230 PolarHBondContact N-O 2.93Å; K184-T230 PolarHBondContact O-N 2.89Å; T230-Y232 HydrophobicContact CG2-CD2 4.34Å; T230-Y232 HydrophobicContact CG2-CE1 4.07Å; T230-Y232 HydrophobicContact CG2-CE2 3.68Å; T230-T247 CarbonylContact C-O 3.51Å; T230-T247 WeakPolarHBondContact CA-O 3.34Å |
| 231 | Y | 85.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.9 | -178.6 | -68.1 | -99.4 | 0 | 0 | 0 | 110 | Q150 L164 F182 R183 L218 M220 H227 G246 T247 L249 | Q150-Y231 PolarHBondContact NE2-O 2.88Å; L164-Y231 VanDerWaalsContact CD1-CB 3.46Å; L164-Y231 HydrophobicContact CD1-CD1 3.96Å; L164-Y231 HydrophobicContact CD1-CD2 3.71Å; L164-Y231 HydrophobicContact CD1-CE2 4.46Å; L164-Y231 HydrophobicContact CD1-CG 3.43Å; L164-Y231 VanDerWaalsContact CD1-CG 3.43Å; F182-Y231 CarbonylContact O-C 3.54Å; F182-Y231 WeakPolarHBondContact O-CA 3.34Å; R183-Y231 HydrophobicContact CB-CD1 3.94Å; R183-Y231 HydrophobicContact CB-CE1 3.85Å; R183-Y231 VanDerWaalsContact CD-CZ 3.49Å; R183-Y231 VanDerWaalsContact CD-OH 3.26Å; R183-Y231 WeakPolarHBondContact CD-OH 3.4Å; R183-Y231 HydrophobicContact CG-CD1 4.03Å; R183-Y231 HydrophobicContact CG-CE1 3.65Å; R183-Y231 HydrophobicContact CG-CE2 4.17Å; R183-Y231 HydrophobicContact CG-CG 4.45Å; R183-Y231 PolarHBondContact NE-OH 3.3Å; R183-Y231 VanDerWaalsContact NE-OH 3.09Å; L218-Y231 HydrophobicContact CD2-CD1 4.12Å; M220-Y231 HydrophobicContact CE-CE1 3.86Å; M220-Y231 HydrophobicContact CE-CE2 4.25Å; M220-Y231 VanDerWaalsContact CE-CZ 3.47Å; M220-Y231 WeakPolarHBondContact CE-OH 3.33Å; M220-Y231 HydrophobicContact SD-CE1 3.96Å; M220-Y231 HydrophobicContact SD-CE2 4.4Å; H227-Y231 WeakPolarHBondContact O-CE2 3.3Å; H227-Y231 PolarHBondContact O-OH 3.49Å; Y231-G246 CarbonylContact O-C 3.5Å; Y231-G246 VanDerWaalsContact O-CA 3.25Å; Y231-G246 WeakPolarHBondContact O-CA 3.43Å; Y231-T247 PolarHBondContact N-O 3.4Å; Y231-T247 PolarHBondContact O-N 3.13Å; Y231-L249 HydrophobicContact CD2-CB 4.09Å; Y231-L249 HydrophobicContact CE2-CB 3.82Å; Y231-L249 HydrophobicContact CE2-CD2 3.97Å |
| 232 | Y | 86.3 | Confident | 80 | Confident | 40 Ų | 40 | 47.4 Ų | 47.4 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.8 | 179.1 | -60.6 | -86.8 | 0 | 0 | 0 | 109.6 | F35 W181 F182 K184 T230 | F35-Y232 HydrophobicContact CZ-CE2 4.2Å; W181-Y232 WeakPolarHBondContact CA-O 3.26Å; F182-Y232 PolarHBondContact N-O 3.22Å; F182-Y232 PolarHBondContact O-N 2.93Å; K184-Y232 HydrophobicContact CB-CD2 4.42Å; K184-Y232 HydrophobicContact CB-CE2 3.76Å; K184-Y232 HydrophobicContact CD-CE2 4.08Å; T230-Y232 HydrophobicContact CG2-CD2 4.34Å; T230-Y232 HydrophobicContact CG2-CE1 4.07Å; T230-Y232 HydrophobicContact CG2-CE2 3.68Å |
| 233 | C | 86.8 | Confident | 80 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 132.8 | 167.1 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | V148 Q150 C166 V179 Y180 W181 F243 G244 | V148-C233 HydrophobicContact CG1-CB 4.3Å; Q150-C233 HydrophobicContact CG-CB 4.09Å; Q150-C233 VanDerWaalsContact OE1-N 3.09Å; C166-C233 HydrophobicContact CB-CB 3.56Å; C166-C233 WeakPolarHBondContact CB-SG 3.13Å; C166-C233 WeakPolarHBondContact SG-CB 3.35Å; C166-C233 CovalentContact SG-SG 2.03Å; C166-C233 PolarHBondContact SG-SG 2.91Å; V179-C233 WeakPolarHBondContact CG1-SG 3.17Å; Y180-C233 CarbonylContact O-C 3.59Å; W181-C233 HydrophobicContact CD2-CB 4.39Å; W181-C233 HydrophobicContact CE3-CB 4.2Å; W181-C233 HydrophobicContact CH2-CB 4.05Å; W181-C233 HydrophobicContact CZ2-CB 4.21Å; W181-C233 HydrophobicContact CZ3-CB 4.04Å; C233-F243 WeakPolarHBondContact O-CA 3.45Å; C233-G244 PolarHBondContact O-N 3.41Å |
| 234 | A | 83.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | V179 Y180 F182 I241 D242 F243 | V179-A234 CarbonylContact C-O 3.58Å; V179-A234 WeakPolarHBondContact CA-O 3.09Å; Y180-A234 PolarHBondContact N-O 3.46Å; Y180-A234 PolarHBondContact O-N 3.3Å; F182-A234 HydrophobicContact CD2-CB 3.92Å; F182-A234 HydrophobicContact CE2-CB 3.67Å; A234-I241 HydrophobicContact CB-CG2 3.95Å; A234-D242 CarbonylContact C-O 3.6Å; A234-D242 VanDerWaalsContact CA-O 3.3Å; A234-D242 WeakPolarHBondContact CA-O 3.43Å; A234-F243 HydrophobicContact CB-CD1 3.82Å; A234-F243 HydrophobicContact CB-CD2 4.18Å; A234-F243 HydrophobicContact CB-CE1 3.58Å; A234-F243 HydrophobicContact CB-CE2 3.92Å; A234-F243 HydrophobicContact CB-CG 4.12Å; A234-F243 HydrophobicContact CB-CZ 3.62Å |
| 235 | V | 81.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.8 | -175.7 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | V148 V168 H177 R178 V179 I241 D242 | V148-V235 HydrophobicContact CG1-CG2 4.48Å; V148-V235 HydrophobicContact CG2-CB 4.3Å; V148-V235 HydrophobicContact CG2-CG2 3.92Å; V168-V235 HydrophobicContact CB-CG2 4.26Å; V168-V235 HydrophobicContact CG1-CB 4.26Å; V168-V235 HydrophobicContact CG1-CG1 3.83Å; V168-V235 HydrophobicContact CG1-CG2 3.82Å; V168-V235 HydrophobicContact CG2-CG2 3.38Å; H177-V235 HydrophobicContact CB-CG1 4.4Å; R178-V235 CarbonylContact O-C 3.42Å; R178-V235 WeakPolarHBondContact O-CA 3.49Å; V179-V235 HydrophobicContact CG2-CB 4.43Å; V179-V235 HydrophobicContact CG2-CG1 4.35Å; V179-V235 HydrophobicContact CG2-CG2 3.75Å; V235-I241 VanDerWaalsContact O-CA 3.31Å; V235-I241 WeakPolarHBondContact O-CA 3.41Å; V235-D242 PolarHBondContact N-O 3.38Å; V235-D242 PolarHBondContact O-N 3.23Å |
| 236 | A | 77.1 | Confident | 80 | Confident | 27 Ų | 27 | 37.5 Ų | 37.5 | 22% | 0.223 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 113.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | R178 Y180 R240 I241 | R178-A236 HydrophobicContact CB-CB 4.39Å; R178-A236 PolarHBondContact N-O 3.03Å; R178-A236 VanDerWaalsContact N-O 3.14Å; R178-A236 PolarHBondContact O-N 2.88Å; Y180-A236 HydrophobicContact CE2-CB 3.93Å; A236-R240 VanDerWaalsContact CA-O 3.26Å; A236-R240 WeakPolarHBondContact CA-O 3.5Å; A236-I241 HydrophobicContact CB-CG1 4.16Å |
| 237 | S | 74.2 | Confident | 80.4 | Confident | 10 Ų | 10 | 34 Ų | 34 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 145.1 | 173.9 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | H177 G239 R240 | H177-S237 WeakPolarHBondContact CD2-CB 3.2Å; H177-S237 PolarHBondContact CD2-OG 2.99Å; H177-S237 PolarHBondContact NE2-OG 3.05Å; S237-G239 PolarHBondContact O-N 3.37Å; S237-R240 PolarHBondContact N-O 3.48Å; S237-R240 PolarHBondContact O-N 3.34Å |
| 238 | C | 70.7 | Confident | 80.8 | Confident | 87 Ų | 87 | 36.4 Ų | 36.4 | 59% | 0.588 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 33.7 | 175.1 | -85.1 | 0 | 0 | 0 | 0 | 115 | C173 R240 | C173-C238 HydrophobicContact CB-CB 4.24Å; C173-C238 WeakPolarHBondContact CB-SG 3.28Å; C173-C238 WeakPolarHBondContact SG-CB 3.43Å; C173-C238 CovalentContact SG-SG 2.03Å; C173-C238 PolarHBondContact SG-SG 3.47Å; C238-R240 VanDerWaalsContact C-N 3.26Å; C238-R240 PolarHBondContact O-N 3.04Å |
| 239 | G | 61.8 | Low | 80.9 | Confident | 77 Ų | 77 | 34.4 Ų | 34.4 | 79% | 0.794 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 9.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | S237 | S237-G239 PolarHBondContact O-N 3.37Š|
| 240 | R | 67.1 | Low | 81.1 | Confident | 58 Ų | 58 | 38.4 Ų | 38.4 | 22% | 0.219 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 160.7 | 178.5 | -65.7 | 178.6 | 170.6 | 171.1 | -5.5 | 110.7 | D139 A141 V142 A236 S237 C238 | D139-R240 IonicContact OD1-NH2 3.87Å; D139-R240 IonicContact OD2-CZ 3.21Å; D139-R240 IonicContact OD2-NE 2.98Å; D139-R240 PolarHBondContact OD2-NE 2.96Å; D139-R240 IonicContact OD2-NH2 2.74Å; D139-R240 PolarHBondContact OD2-NH2 3.47Å; A141-R240 PolarHBondContact O-NH2 2.91Å; V142-R240 PolarHBondContact O-NH1 3.2Å; A236-R240 VanDerWaalsContact CA-O 3.26Å; A236-R240 WeakPolarHBondContact CA-O 3.5Å; S237-R240 PolarHBondContact N-O 3.48Å; S237-R240 PolarHBondContact O-N 3.34Å; C238-R240 VanDerWaalsContact C-N 3.26Å; C238-R240 PolarHBondContact O-N 3.04Å |
| 241 | I | 74.3 | Confident | 81 | Confident | 51 Ų | 51 | 39.2 Ų | 39.2 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 115.5 | 174.3 | -59.6 | 166.6 | 0 | 0 | 0 | 109.2 | T114 A234 V235 A236 F243 | T114-I241 HydrophobicContact CG2-CD1 4.01Å; A234-I241 HydrophobicContact CB-CG2 3.95Å; V235-I241 VanDerWaalsContact O-CA 3.31Å; V235-I241 WeakPolarHBondContact O-CA 3.41Å; A236-I241 HydrophobicContact CB-CG1 4.16Å; I241-F243 HydrophobicContact CB-CE2 4.42Å; I241-F243 HydrophobicContact CG2-CD2 3.95Å; I241-F243 HydrophobicContact CG2-CE2 3.42Å; I241-F243 VanDerWaalsContact CG2-CE2 3.42Å; I241-F243 HydrophobicContact CG2-CZ 4.21Å |
| 242 | D | 78.1 | Confident | 80.8 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.3 | 177.2 | -65.4 | -44.5 | 0 | 0 | 0 | 110.2 | A146 V148 A234 V235 | A146-D242 HydrophobicContact CB-CB 4.49Å; A146-D242 WeakPolarHBondContact CB-OD2 3.42Å; A146-D242 PolarHBondContact N-OD2 2.79Å; V148-D242 HydrophobicContact CG2-CB 4.03Å; A234-D242 CarbonylContact C-O 3.6Å; A234-D242 VanDerWaalsContact CA-O 3.3Å; A234-D242 WeakPolarHBondContact CA-O 3.43Å; V235-D242 PolarHBondContact N-O 3.38Å; V235-D242 PolarHBondContact O-N 3.23Å |
| 243 | F | 82.4 | Confident | 79.9 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134 | -179.1 | -80.6 | -104.4 | 0 | 0 | 0 | 110.8 | L37 V136 F182 C233 A234 I241 | L37-F243 HydrophobicContact CD2-CD2 4.47Å; V136-F243 HydrophobicContact CB-CE2 4.24Å; V136-F243 HydrophobicContact CB-CZ 4.46Å; V136-F243 HydrophobicContact CG1-CD2 3.98Å; V136-F243 HydrophobicContact CG1-CE2 3.3Å; V136-F243 HydrophobicContact CG1-CZ 3.97Å; V136-F243 HydrophobicContact CG2-CE2 4.02Å; V136-F243 HydrophobicContact CG2-CZ 3.78Å; F182-F243 AromaticContact CD2-CE1 3.81Å; F182-F243 HydrophobicContact CD2-CE1 3.81Å; F182-F243 HydrophobicContact CD2-CZ 4.28Å; F182-F243 HydrophobicContact CE2-CE1 4.07Å; F182-F243 HydrophobicContact CE2-CZ 4.06Å; C233-F243 WeakPolarHBondContact O-CA 3.45Å; A234-F243 HydrophobicContact CB-CD1 3.82Å; A234-F243 HydrophobicContact CB-CD2 4.18Å; A234-F243 HydrophobicContact CB-CE1 3.58Å; A234-F243 HydrophobicContact CB-CE2 3.92Å; A234-F243 HydrophobicContact CB-CG 4.12Å; A234-F243 HydrophobicContact CB-CZ 3.62Å; I241-F243 HydrophobicContact CB-CE2 4.42Å; I241-F243 HydrophobicContact CG2-CD2 3.95Å; I241-F243 HydrophobicContact CG2-CE2 3.42Å; I241-F243 VanDerWaalsContact CG2-CE2 3.42Å; I241-F243 HydrophobicContact CG2-CZ 4.21Å |
| 244 | G | 83.6 | Confident | 78.6 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | trans | -70.5 | 164.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q150 C233 G246 | Q150-G244 VanDerWaalsContact OE1-C 3.23Å; Q150-G244 VanDerWaalsContact OE1-CA 3.28Å; C233-G244 PolarHBondContact O-N 3.41Å; G244-G246 PolarHBondContact O-N 2.94Å; G244-G246 VanDerWaalsContact O-N 3.1Å | ||
| 245 | N | 83.5 | Confident | 77.4 | Confident | 147 Ų | 147 | 55.6 Ų | 55.6 | 79% | 0.786 | 32% | 0.322 | S | S | * | . | trans | -66.8 | -11.1 | -177.3 | -71.3 | -23.6 | 0 | 0 | 0 | 114.3 | ||||
| 246 | G | 85.8 | Confident | 76.2 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 6% | 0.062 | 36% | 0.358 | C | S | . | . | trans | 86.3 | 143.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q150 Y231 G244 | Q150-G246 VanDerWaalsContact OE1-CA 3.31Å; Y231-G246 CarbonylContact O-C 3.5Å; Y231-G246 VanDerWaalsContact O-CA 3.25Å; Y231-G246 WeakPolarHBondContact O-CA 3.43Å; G244-G246 PolarHBondContact O-N 2.94Å; G244-G246 VanDerWaalsContact O-N 3.1Å | ||
| 247 | T | 88.1 | Confident | 75.4 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.8 | 175.9 | -53.8 | 0 | 0 | 0 | 0 | 109.5 | Q150 A151 E154 L164 T230 Y231 L249 | Q150-T247 PolarHBondContact NE2-OG1 3.3Å; A151-T247 HydrophobicContact CB-CG2 4.36Å; A151-T247 VanDerWaalsContact O-CA 3.24Å; A151-T247 WeakPolarHBondContact O-CA 3.41Å; A151-T247 VanDerWaalsContact O-CB 3.24Å; A151-T247 WeakPolarHBondContact O-CB 3.43Å; A151-T247 WeakPolarHBondContact O-CG2 3.32Å; A151-T247 PolarHBondContact O-OG1 3Å; E154-T247 HydrophobicContact CB-CG2 4.15Å; E154-T247 HydrophobicContact CG-CG2 3.78Å; L164-T247 HydrophobicContact CD2-CG2 3.95Å; T230-T247 CarbonylContact C-O 3.51Å; T230-T247 WeakPolarHBondContact CA-O 3.34Å; Y231-T247 PolarHBondContact N-O 3.4Å; Y231-T247 PolarHBondContact O-N 3.13Å; T247-L249 PolarHBondContact O-N 3.03Å |
| 248 | K | 89.4 | Confident | 75 | Confident | 101 Ų | 101 | 69.2 Ų | 69.2 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 112.6 | 177.2 | -167.9 | -174.9 | -174.7 | -161 | 0 | 109.9 | A152 S153 E154 E250 | A152-K248 PolarHBondContact O-N 2.88Å; S153-K248 CarbonylContact C-O 3.57Å; S153-K248 VanDerWaalsContact CA-O 3.26Å; S153-K248 WeakPolarHBondContact CA-O 3.11Å; E154-K248 PolarHBondContact N-O 3.12Å; K248-E250 HydrophobicContact CD-CG 4.23Å; K248-E250 WeakPolarHBondContact CE-OE1 3.34Å; K248-E250 HydrophobicContact CG-CG 4.12Å; K248-E250 IonicContact NZ-OE1 3.08Å; K248-E250 PolarHBondContact NZ-OE1 3.47Å |
| 249 | L | 87.3 | Confident | 74.9 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 116.7 | 174.3 | -176.4 | 66.4 | 0 | 0 | 0 | 109.9 | E154 A156 V162 M220 I223 H227 G229 Y231 T247 | E154-L249 HydrophobicContact CB-CD1 4.04Å; E154-L249 WeakPolarHBondContact O-CA 3.32Å; A156-L249 HydrophobicContact CB-CD1 4.36Å; V162-L249 HydrophobicContact CG1-CD1 4.38Å; M220-L249 HydrophobicContact CE-CD2 3.89Å; M220-L249 HydrophobicContact SD-CD2 4.15Å; I223-L249 HydrophobicContact CD1-CD2 4.26Å; I223-L249 HydrophobicContact CG2-CD2 4.42Å; H227-L249 HydrophobicContact CB-CD2 4.42Å; G229-L249 PolarHBondContact N-O 2.93Å; G229-L249 PolarHBondContact O-N 3.28Å; Y231-L249 HydrophobicContact CD2-CB 4.09Å; Y231-L249 HydrophobicContact CE2-CB 3.82Å; Y231-L249 HydrophobicContact CE2-CD2 3.97Å; T247-L249 PolarHBondContact O-N 3.03Å |
| 250 | E | 88.7 | Confident | 75.3 | Confident | 90 Ų | 90 | 70.7 Ų | 70.7 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 149.3 | 176.7 | -61.7 | -166.2 | 140.6 | 0 | 0 | 111.4 | E154 S155 A156 K248 | E154-E250 PolarHBondContact O-N 3.06Å; S155-E250 WeakPolarHBondContact CA-O 3.42Å; A156-E250 PolarHBondContact N-O 3.02Å; K248-E250 HydrophobicContact CD-CG 4.23Å; K248-E250 WeakPolarHBondContact CE-OE1 3.34Å; K248-E250 HydrophobicContact CG-CG 4.12Å; K248-E250 IonicContact NZ-OE1 3.08Å; K248-E250 PolarHBondContact NZ-OE1 3.47Å |
| 251 | L | 85.3 | Confident | 75.7 | Confident | 48 Ų | 48 | 71.3 Ų | 71.3 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 129.5 | 168.7 | -77.3 | 175.3 | 0 | 0 | 0 | 108.8 | A156 P158 I223 K225 V228 S253 | A156-L251 CarbonylContact O-C 3.58Å; A156-L251 VanDerWaalsContact O-CA 3.3Å; A156-L251 WeakPolarHBondContact O-CA 3.5Å; A156-L251 WeakPolarHBondContact O-CD2 3.26Å; P158-L251 HydrophobicContact CG-CD2 4.17Å; I223-L251 HydrophobicContact CG2-CD2 3.73Å; K225-L251 HydrophobicContact CB-CD1 4.14Å; V228-L251 HydrophobicContact CG2-CB 4.36Å; V228-L251 HydrophobicContact CG2-CD1 3.94Å; V228-L251 HydrophobicContact CG2-CG 3.71Å; L251-S253 PolarHBondContact O-N 2.93Å |
| 252 | E | 82.9 | Confident | 76 | Confident | 79 Ų | 79 | 77.8 Ų | 77.8 | 37% | 0.369 | 42% | 0.417 | S | S | . | . | trans | -59.4 | 115.3 | 166.2 | -68 | -170.1 | 166.7 | 0 | 0 | 108.1 | S155 A156 R157 E254 | S155-E252 PolarHBondContact OG-OE1 2.93Å; A156-E252 PolarHBondContact O-N 3.3Å; R157-E252 HydrophobicContact CG-CB 4.22Å; R157-E252 WeakPolarHBondContact CG-OE2 3.19Å; R157-E252 IonicContact CZ-OE2 2.87Å; R157-E252 IonicContact NE-OE2 3.7Å; R157-E252 PolarHBondContact NE-OE2 2.84Å; R157-E252 VanDerWaalsContact NE-OE2 3.08Å; R157-E252 IonicContact NH2-OE2 2.87Å; E252-E254 PolarHBondContact O-N 3.38Å | ||
| 253 | S | 65.4 | Low | 76.2 | Confident | 99 Ų | 99 | 83.1 Ų | 83.1 | 69% | 0.692 | 44% | 0.439 | S | S | * | . | trans | -72.4 | 129.5 | 171.2 | 73.8 | 0 | 0 | 0 | 0 | 108.4 | L251 A255 | L251-S253 PolarHBondContact O-N 2.93Å; S253-A255 PolarHBondContact O-N 2.86Å | ||
| 254 | E | 59.8 | Low | 76.3 | Confident | 151 Ų | 151 | 85.9 Ų | 85.9 | 71% | 0.706 | 46% | 0.455 | S | S | * | . | trans | -70.9 | 56.2 | 167.1 | -65.3 | -173.7 | 174.2 | 0 | 0 | 110.8 | E252 V256 S257 | E252-E254 PolarHBondContact O-N 3.38Å; E254-V256 PolarHBondContact O-N 3.03Å; E254-V256 VanDerWaalsContact O-N 3.07Å; E254-S257 PolarHBondContact O-N 3.38Å | ||
| 255 | A | 57.9 | Low | 76.4 | Confident | 56 Ų | 56 | 88.7 Ų | 88.7 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.7 | -16 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S253 S257 | S253-A255 PolarHBondContact O-N 2.86Å; A255-S257 PolarHBondContact O-N 2.88Å |
| 256 | V | 56.5 | Low | 76.6 | Confident | 127 Ų | 127 | 84.1 Ų | 84.1 | 77% | 0.77 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68 | -18.3 | 178.4 | -170.1 | 0 | 0 | 0 | 0 | 112.5 | E254 | E254-V256 PolarHBondContact O-N 3.03Å; E254-V256 VanDerWaalsContact O-N 3.07Å |
| 257 | S | 61.2 | Low | 76.8 | Confident | 61 Ų | 61 | 86.3 Ų | 86.3 | 43% | 0.427 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -88 | -39.9 | 179.9 | -165.5 | 0 | 0 | 0 | 0 | 113.4 | E254 A255 V259 L260 V261 | E254-S257 PolarHBondContact O-N 3.38Å; A255-S257 PolarHBondContact O-N 2.88Å; S257-V259 PolarHBondContact O-N 3Å; S257-L260 PolarHBondContact O-N 3.46Å; S257-V261 WeakPolarHBondContact O-CB 3.38Å; S257-V261 WeakPolarHBondContact O-CG2 3.47Å; S257-V261 PolarHBondContact O-N 2.9Å |
| 258 | L | 65.1 | Low | 76.9 | Confident | 136 Ų | 136 | 91.5 Ų | 91.5 | 71% | 0.712 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.9 | -41.4 | -174.8 | -84.9 | 161 | 0 | 0 | 0 | 113.3 | V261 Y262 | L258-V261 PolarHBondContact O-N 3.37Å; L258-Y262 WeakPolarHBondContact O-CB 3.24Å; L258-Y262 PolarHBondContact O-N 3.41Å |
| 259 | V | 69.5 | Low | 77 | Confident | 88 Ų | 88 | 91.5 Ų | 91.5 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 178.9 | 177 | 0 | 0 | 0 | 0 | 110.3 | S257 Y262 F263 | S257-V259 PolarHBondContact O-N 3Å; V259-Y262 WeakPolarHBondContact O-CB 3.45Å; V259-Y262 PolarHBondContact O-N 3.5Å; V259-F263 HydrophobicContact CG1-CD2 3.66Å; V259-F263 HydrophobicContact CG1-CE2 3.49Å; V259-F263 VanDerWaalsContact CG1-CE2 3.49Å; V259-F263 WeakPolarHBondContact O-CD2 3.33Å; V259-F263 PolarHBondContact O-N 3.37Å |
| 260 | L | 68.6 | Low | 77.2 | Confident | 107 Ų | 107 | 97.4 Ų | 97.4 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -43.5 | 177.2 | -175.6 | 66.4 | 0 | 0 | 0 | 111.7 | S257 Y262 F263 L264 | S257-L260 PolarHBondContact O-N 3.46Å; L260-Y262 VanDerWaalsContact C-N 3.32Å; L260-Y262 PolarHBondContact O-N 3.36Å; L260-F263 PolarHBondContact O-N 3.47Å; L260-L264 HydrophobicContact CG-CD1 4.21Å; L260-L264 WeakPolarHBondContact O-CB 3Å; L260-L264 VanDerWaalsContact O-CG 3.28Å; L260-L264 WeakPolarHBondContact O-CG 3.38Å; L260-L264 PolarHBondContact O-N 2.95Å |
| 261 | V | 76.4 | Confident | 77.2 | Confident | 71 Ų | 71 | 96.1 Ų | 96.1 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 174.7 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | S257 L258 F263 L264 C265 | S257-V261 WeakPolarHBondContact O-CB 3.38Å; S257-V261 WeakPolarHBondContact O-CG2 3.47Å; S257-V261 PolarHBondContact O-N 2.9Å; L258-V261 PolarHBondContact O-N 3.37Å; V261-F263 PolarHBondContact O-N 2.99Å; V261-L264 PolarHBondContact O-N 3.48Å; V261-C265 WeakPolarHBondContact O-CB 3.36Å; V261-C265 PolarHBondContact O-N 3.06Å; V261-C265 PolarHBondContact O-SG 3.22Å |
| 262 | Y | 80.8 | Confident | 77.5 | Confident | 187 Ų | 187 | 98.9 Ų | 98.9 | 73% | 0.733 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 177.2 | -154.5 | -90.1 | 0 | 0 | 0 | 112.3 | L258 V259 L260 C265 A266 | L258-Y262 WeakPolarHBondContact O-CB 3.24Å; L258-Y262 PolarHBondContact O-N 3.41Å; V259-Y262 WeakPolarHBondContact O-CB 3.45Å; V259-Y262 PolarHBondContact O-N 3.5Å; L260-Y262 VanDerWaalsContact C-N 3.32Å; L260-Y262 PolarHBondContact O-N 3.36Å; Y262-C265 PolarHBondContact O-N 3.26Å; Y262-A266 WeakPolarHBondContact O-CB 3.42Å; Y262-A266 PolarHBondContact O-N 2.93Å |
| 263 | F | 82.8 | Confident | 77.8 | Confident | 144 Ų | 144 | 99.3 Ų | 99.3 | 63% | 0.632 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 174.6 | -86.3 | -70 | 0 | 0 | 0 | 112.3 | V259 L260 V261 A266 A267 | V259-F263 HydrophobicContact CG1-CD2 3.66Å; V259-F263 HydrophobicContact CG1-CE2 3.49Å; V259-F263 VanDerWaalsContact CG1-CE2 3.49Å; V259-F263 WeakPolarHBondContact O-CD2 3.33Å; V259-F263 PolarHBondContact O-N 3.37Å; L260-F263 PolarHBondContact O-N 3.47Å; V261-F263 PolarHBondContact O-N 2.99Å; F263-A266 PolarHBondContact O-N 3.39Å; F263-A267 WeakPolarHBondContact O-CB 3.45Å; F263-A267 PolarHBondContact O-N 3.28Å |
| 264 | L | 83.5 | Confident | 79.1 | Confident | 99 Ų | 99 | 98.1 Ų | 98.1 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 177.4 | -69.3 | 172.7 | 0 | 0 | 0 | 111.6 | L260 V261 A267 L268 | L260-L264 HydrophobicContact CG-CD1 4.21Å; L260-L264 WeakPolarHBondContact O-CB 3Å; L260-L264 VanDerWaalsContact O-CG 3.28Å; L260-L264 WeakPolarHBondContact O-CG 3.38Å; L260-L264 PolarHBondContact O-N 2.95Å; V261-L264 PolarHBondContact O-N 3.48Å; L264-A267 PolarHBondContact O-N 2.92Å; L264-L268 WeakPolarHBondContact O-CG 3.39Å; L264-L268 PolarHBondContact O-N 3.03Å |
| 265 | C | 86.3 | Confident | 80.5 | Confident | 64 Ų | 64 | 95.9 Ų | 95.9 | 43% | 0.432 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 174.6 | -71.4 | 0 | 0 | 0 | 0 | 112 | V261 Y262 A267 L268 I269 | V261-C265 WeakPolarHBondContact O-CB 3.36Å; V261-C265 PolarHBondContact O-N 3.06Å; V261-C265 PolarHBondContact O-SG 3.22Å; Y262-C265 PolarHBondContact O-N 3.26Å; C265-A267 VanDerWaalsContact C-N 3.34Å; C265-A267 PolarHBondContact O-N 3.31Å; C265-L268 PolarHBondContact O-N 2.75Å; C265-I269 WeakPolarHBondContact O-CG1 3.43Å; C265-I269 PolarHBondContact O-N 3.25Å |
| 266 | A | 88.1 | Confident | 82.1 | Confident | 50 Ų | 50 | 97.1 Ų | 97.1 | 41% | 0.413 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y262 F263 I269 F270 | Y262-A266 WeakPolarHBondContact O-CB 3.42Å; Y262-A266 PolarHBondContact O-N 2.93Å; F263-A266 PolarHBondContact O-N 3.39Å; A266-I269 PolarHBondContact O-N 3.23Å; A266-F270 WeakPolarHBondContact O-CB 3.37Å; A266-F270 PolarHBondContact O-N 2.98Å |
| 267 | A | 89.6 | Confident | 83.7 | Confident | 52 Ų | 52 | 95.6 Ų | 95.6 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F263 L264 C265 F270 T271 | F263-A267 WeakPolarHBondContact O-CB 3.45Å; F263-A267 PolarHBondContact O-N 3.28Å; L264-A267 PolarHBondContact O-N 2.92Å; C265-A267 VanDerWaalsContact C-N 3.34Å; C265-A267 PolarHBondContact O-N 3.31Å; A267-F270 PolarHBondContact O-N 3Å; A267-T271 WeakPolarHBondContact O-CG2 3.34Å; A267-T271 PolarHBondContact O-N 3.02Å; A267-T271 PolarHBondContact O-OG1 3.21Å |
| 268 | L | 89.9 | Confident | 85 | Confident | 111 Ų | 111 | 97.2 Ų | 97.2 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -41.5 | 176.5 | -72.4 | 171 | 0 | 0 | 0 | 112.5 | L264 C265 F270 T271 I272 | L264-L268 WeakPolarHBondContact O-CG 3.39Å; L264-L268 PolarHBondContact O-N 3.03Å; C265-L268 PolarHBondContact O-N 2.75Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 2.87Å; L268-T271 PolarHBondContact O-N 2.92Å; L268-T271 PolarHBondContact O-OG1 3.47Å; L268-I272 WeakPolarHBondContact O-CD1 3.32Å; L268-I272 VanDerWaalsContact O-CG1 3.24Å; L268-I272 WeakPolarHBondContact O-CG1 3.49Å; L268-I272 PolarHBondContact O-N 3.48Å |
| 269 | I | 91.9 | Very high | 86.2 | Confident | 100 Ų | 100 | 93.5 Ų | 93.5 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 176 | -67.5 | 165.1 | 0 | 0 | 0 | 110.2 | C265 A266 T271 I272 I273 | C265-I269 WeakPolarHBondContact O-CG1 3.43Å; C265-I269 PolarHBondContact O-N 3.25Å; A266-I269 PolarHBondContact O-N 3.23Å; I269-T271 PolarHBondContact O-N 3.21Å; I269-I272 PolarHBondContact O-N 3.19Å; I269-I273 HydrophobicContact CG2-CD1 3.9Å; I269-I273 VanDerWaalsContact O-CG1 3.32Å; I269-I273 WeakPolarHBondContact O-CG1 3.44Å; I269-I273 PolarHBondContact O-N 3.03Å |
| 270 | F | 90.7 | Very high | 87.1 | Confident | 126 Ų | 126 | 92.4 Ų | 92.4 | 55% | 0.553 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 179 | -177.5 | -105.2 | 0 | 0 | 0 | 112.4 | A266 A267 L268 I272 I273 L274 | A266-F270 WeakPolarHBondContact O-CB 3.37Å; A266-F270 PolarHBondContact O-N 2.98Å; A267-F270 PolarHBondContact O-N 3Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 2.87Å; F270-I272 PolarHBondContact O-N 3.39Å; F270-I273 PolarHBondContact O-N 3.4Å; F270-L274 HydrophobicContact CD1-CD1 3.86Å; F270-L274 HydrophobicContact CD1-CG 4.39Å; F270-L274 HydrophobicContact CE1-CD1 3.37Å; F270-L274 HydrophobicContact CE1-CG 4.06Å; F270-L274 HydrophobicContact CZ-CD1 3.83Å; F270-L274 HydrophobicContact CZ-CD2 4.27Å; F270-L274 HydrophobicContact CZ-CG 4.14Å; F270-L274 WeakPolarHBondContact O-CG 3.5Å; F270-L274 PolarHBondContact O-N 2.98Å |
| 271 | T | 89.8 | Confident | 88.1 | Confident | 63 Ų | 63 | 94.6 Ų | 94.6 | 39% | 0.387 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 177.4 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | A267 L268 I269 L274 N275 | A267-T271 WeakPolarHBondContact O-CG2 3.34Å; A267-T271 PolarHBondContact O-N 3.02Å; A267-T271 PolarHBondContact O-OG1 3.21Å; L268-T271 PolarHBondContact O-N 2.92Å; L268-T271 PolarHBondContact O-OG1 3.47Å; I269-T271 PolarHBondContact O-N 3.21Å; T271-L274 PolarHBondContact O-N 3.11Å; T271-N275 WeakPolarHBondContact O-CB 3.47Å; T271-N275 PolarHBondContact O-N 3.34Å; T271-N275 PolarHBondContact O-ND2 2.85Å |
| 272 | I | 90.3 | Very high | 88.5 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 174.4 | -68 | 165 | 0 | 0 | 0 | 110.4 | L268 I269 F270 L274 N275 V276 | L268-I272 WeakPolarHBondContact O-CD1 3.32Å; L268-I272 VanDerWaalsContact O-CG1 3.24Å; L268-I272 WeakPolarHBondContact O-CG1 3.49Å; L268-I272 PolarHBondContact O-N 3.48Å; I269-I272 PolarHBondContact O-N 3.19Å; F270-I272 PolarHBondContact O-N 3.39Å; I272-L274 VanDerWaalsContact C-N 3.33Å; I272-L274 PolarHBondContact O-N 3.37Å; I272-N275 PolarHBondContact O-N 2.97Å; I272-V276 HydrophobicContact CG2-CG2 4.42Å; I272-V276 WeakPolarHBondContact O-CG2 3.49Å; I272-V276 PolarHBondContact O-N 3.42Å |
| 273 | I | 90.5 | Very high | 88.6 | Confident | 88 Ų | 88 | 95.1 Ų | 95.1 | 45% | 0.451 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 177.6 | -68.5 | 166.2 | 0 | 0 | 0 | 110.6 | I269 F270 N275 V276 L277 | I269-I273 HydrophobicContact CG2-CD1 3.9Å; I269-I273 VanDerWaalsContact O-CG1 3.32Å; I269-I273 WeakPolarHBondContact O-CG1 3.44Å; I269-I273 PolarHBondContact O-N 3.03Å; F270-I273 PolarHBondContact O-N 3.4Å; I273-N275 PolarHBondContact O-N 3.44Å; I273-V276 PolarHBondContact O-N 3.45Å; I273-L277 HydrophobicContact CG2-CD1 3.9Å; I273-L277 HydrophobicContact CG2-CG 4.32Å; I273-L277 WeakPolarHBondContact O-CB 3.28Å; I273-L277 VanDerWaalsContact O-CG 3.28Å; I273-L277 WeakPolarHBondContact O-CG 3.44Å; I273-L277 PolarHBondContact O-N 3.33Å |
| 274 | L | 91.4 | Very high | 88.5 | Confident | 74 Ų | 74 | 95.3 Ų | 95.3 | 39% | 0.387 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 177.6 | -72.6 | 179.9 | 0 | 0 | 0 | 112.2 | F270 T271 I272 L277 L278 | F270-L274 HydrophobicContact CD1-CD1 3.86Å; F270-L274 HydrophobicContact CD1-CG 4.39Å; F270-L274 HydrophobicContact CE1-CD1 3.37Å; F270-L274 HydrophobicContact CE1-CG 4.06Å; F270-L274 HydrophobicContact CZ-CD1 3.83Å; F270-L274 HydrophobicContact CZ-CD2 4.27Å; F270-L274 HydrophobicContact CZ-CG 4.14Å; F270-L274 WeakPolarHBondContact O-CG 3.5Å; F270-L274 PolarHBondContact O-N 2.98Å; T271-L274 PolarHBondContact O-N 3.11Å; I272-L274 VanDerWaalsContact C-N 3.33Å; I272-L274 PolarHBondContact O-N 3.37Å; L274-L277 PolarHBondContact O-N 2.88Å; L274-L278 WeakPolarHBondContact O-CB 3.31Å; L274-L278 WeakPolarHBondContact O-CD1 3.37Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.4Å; L274-L278 PolarHBondContact O-N 2.9Å |
| 275 | N | 89 | Confident | 88.5 | Confident | 104 Ų | 104 | 97 Ų | 97 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 177.5 | -78.5 | -55.3 | 0 | 0 | 0 | 112.1 | T271 I272 I273 L278 A279 | T271-N275 WeakPolarHBondContact O-CB 3.47Å; T271-N275 PolarHBondContact O-N 3.34Å; T271-N275 PolarHBondContact O-ND2 2.85Å; I272-N275 PolarHBondContact O-N 2.97Å; I273-N275 PolarHBondContact O-N 3.44Å; N275-L278 PolarHBondContact O-N 2.85Å; N275-A279 WeakPolarHBondContact O-CB 3.48Å; N275-A279 PolarHBondContact O-N 3.31Å |
| 276 | V | 91.6 | Very high | 87.7 | Confident | 83 Ų | 83 | 100.1 Ų | 100.1 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | I272 I273 L278 A279 V280 | I272-V276 HydrophobicContact CG2-CG2 4.42Å; I272-V276 WeakPolarHBondContact O-CG2 3.49Å; I272-V276 PolarHBondContact O-N 3.42Å; I273-V276 PolarHBondContact O-N 3.45Å; V276-L278 VanDerWaalsContact C-N 3.32Å; V276-L278 PolarHBondContact O-N 2.99Å; V276-A279 PolarHBondContact O-N 3.37Å; V276-V280 HydrophobicContact CG1-CG2 4.41Å; V276-V280 VanDerWaalsContact O-CG2 3.29Å; V276-V280 WeakPolarHBondContact O-CG2 3.49Å; V276-V280 PolarHBondContact O-N 3.18Å |
| 277 | L | 90.7 | Very high | 86.5 | Confident | 94 Ų | 94 | 102 Ų | 102 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 176.7 | -70.7 | 173.5 | 0 | 0 | 0 | 112 | I273 L274 V280 K281 | I273-L277 HydrophobicContact CG2-CD1 3.9Å; I273-L277 HydrophobicContact CG2-CG 4.32Å; I273-L277 WeakPolarHBondContact O-CB 3.28Å; I273-L277 VanDerWaalsContact O-CG 3.28Å; I273-L277 WeakPolarHBondContact O-CG 3.44Å; I273-L277 PolarHBondContact O-N 3.33Å; L274-L277 PolarHBondContact O-N 2.88Å; L277-V280 PolarHBondContact O-N 2.96Å; L277-K281 WeakPolarHBondContact O-CB 3.34Å; L277-K281 WeakPolarHBondContact O-CG 3.25Å; L277-K281 PolarHBondContact O-N 3.49Å |
| 278 | L | 89 | Confident | 85 | Confident | 96 Ų | 96 | 107.4 Ų | 107.4 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 173.5 | -77.8 | 160.3 | 0 | 0 | 0 | 111.1 | L274 N275 V276 V280 K281 L282 | L274-L278 WeakPolarHBondContact O-CB 3.31Å; L274-L278 WeakPolarHBondContact O-CD1 3.37Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.4Å; L274-L278 PolarHBondContact O-N 2.9Å; N275-L278 PolarHBondContact O-N 2.85Å; V276-L278 VanDerWaalsContact C-N 3.32Å; V276-L278 PolarHBondContact O-N 2.99Å; L278-V280 VanDerWaalsContact C-N 3.33Å; L278-V280 PolarHBondContact O-N 3.42Å; L278-K281 PolarHBondContact O-N 2.86Å; L278-L282 WeakPolarHBondContact O-CG 3.43Å; L278-L282 PolarHBondContact O-N 2.81Å |
| 279 | A | 89.3 | Confident | 83.5 | Confident | 57 Ų | 57 | 106.2 Ų | 106.2 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N275 V276 L282 Y283 | N275-A279 WeakPolarHBondContact O-CB 3.48Å; N275-A279 PolarHBondContact O-N 3.31Å; V276-A279 PolarHBondContact O-N 3.37Å; A279-L282 PolarHBondContact O-N 3.26Å; A279-Y283 VanDerWaalsContact O-CB 3.25Å; A279-Y283 WeakPolarHBondContact O-CB 3.34Å; A279-Y283 PolarHBondContact O-N 2.88Å |
| 280 | V | 88.7 | Confident | 81.5 | Confident | 65 Ų | 65 | 105 Ų | 105 | 39% | 0.394 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | V276 L277 L278 Y283 K284 | V276-V280 HydrophobicContact CG1-CG2 4.41Å; V276-V280 VanDerWaalsContact O-CG2 3.29Å; V276-V280 WeakPolarHBondContact O-CG2 3.49Å; V276-V280 PolarHBondContact O-N 3.18Å; L277-V280 PolarHBondContact O-N 2.96Å; L278-V280 VanDerWaalsContact C-N 3.33Å; L278-V280 PolarHBondContact O-N 3.42Å; V280-Y283 PolarHBondContact O-N 3.41Å; V280-K284 HydrophobicContact CG1-CD 4.35Å; V280-K284 WeakPolarHBondContact O-CB 3.44Å; V280-K284 WeakPolarHBondContact O-CG 3.39Å; V280-K284 PolarHBondContact O-N 2.98Å |
| 281 | K | 88.8 | Confident | 79.5 | Confident | 154 Ų | 154 | 104.7 Ų | 104.7 | 67% | 0.67 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.2 | -43.5 | 175.5 | -77.2 | -179 | -179.9 | -177.5 | 0 | 111.6 | L277 L278 K284 K285 | L277-K281 WeakPolarHBondContact O-CB 3.34Å; L277-K281 WeakPolarHBondContact O-CG 3.25Å; L277-K281 PolarHBondContact O-N 3.49Å; L278-K281 PolarHBondContact O-N 2.86Å; K281-K284 PolarHBondContact O-N 2.86Å; K281-K285 WeakPolarHBondContact O-CB 3.42Å; K281-K285 PolarHBondContact O-N 3.47Å |
| 282 | L | 85.6 | Confident | 77.4 | Confident | 117 Ų | 117 | 109.6 Ų | 109.6 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.9 | -41.8 | 176.6 | -69.5 | 174 | 0 | 0 | 0 | 111.7 | L278 A279 K285 H286 | L278-L282 WeakPolarHBondContact O-CG 3.43Å; L278-L282 PolarHBondContact O-N 2.81Å; A279-L282 PolarHBondContact O-N 3.26Å; L282-K285 PolarHBondContact O-N 2.91Å; L282-H286 WeakPolarHBondContact O-CB 3.29Å; L282-H286 PolarHBondContact O-N 3.25Å |
| 283 | Y | 83.6 | Confident | 75 | Confident | 152 Ų | 152 | 110.4 Ų | 110.4 | 60% | 0.596 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.8 | -46.4 | 175.3 | -179.1 | -98 | 0 | 0 | 0 | 111.8 | A279 V280 K285 H286 N287 | A279-Y283 VanDerWaalsContact O-CB 3.25Å; A279-Y283 WeakPolarHBondContact O-CB 3.34Å; A279-Y283 PolarHBondContact O-N 2.88Å; V280-Y283 PolarHBondContact O-N 3.41Å; Y283-K285 VanDerWaalsContact C-N 3.3Å; Y283-K285 PolarHBondContact O-N 3.48Å; Y283-H286 PolarHBondContact O-N 3.11Å; Y283-N287 WeakPolarHBondContact O-CB 3.49Å; Y283-N287 PolarHBondContact O-N 2.93Å |
| 284 | K | 80.4 | Confident | 72.9 | Confident | 147 Ų | 147 | 111.5 Ų | 111.5 | 64% | 0.639 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.8 | -34.1 | 175.6 | -76.4 | -175.4 | 177.7 | -175.1 | 0 | 112.6 | V280 K281 K288 | V280-K284 HydrophobicContact CG1-CD 4.35Å; V280-K284 WeakPolarHBondContact O-CB 3.44Å; V280-K284 WeakPolarHBondContact O-CG 3.39Å; V280-K284 PolarHBondContact O-N 2.98Å; K281-K284 PolarHBondContact O-N 2.86Å; K284-K288 WeakPolarHBondContact O-CB 3.49Å; K284-K288 PolarHBondContact O-N 3.42Å; K284-K288 VanDerWaalsContact O-N 3.11Å |
| 285 | K | 82.7 | Confident | 70.6 | Confident | 135 Ų | 135 | 113.6 Ų | 113.6 | 59% | 0.587 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.8 | -46.5 | 174.6 | -172.9 | 177.6 | 177.9 | -177 | 0 | 111.3 | K281 L282 Y283 N287 K288 D289 | K281-K285 WeakPolarHBondContact O-CB 3.42Å; K281-K285 PolarHBondContact O-N 3.47Å; L282-K285 PolarHBondContact O-N 2.91Å; Y283-K285 VanDerWaalsContact C-N 3.3Å; Y283-K285 PolarHBondContact O-N 3.48Å; K285-N287 VanDerWaalsContact C-N 3.34Å; K285-N287 PolarHBondContact O-N 3.05Å; K285-K288 WeakPolarHBondContact O-CA 3.41Å; K285-K288 WeakPolarHBondContact O-CB 3.4Å; K285-K288 PolarHBondContact O-N 2.91Å; K285-D289 PolarHBondContact O-N 3.43Å |
| 286 | H | 70.3 | Confident | 68.1 | Low | 130 Ų | 130 | 118 Ų | 118 | 60% | 0.602 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.2 | -40.4 | 176.1 | -172.3 | -84.2 | 0 | 0 | 0 | 112.4 | L282 Y283 K288 D289 S290 | L282-H286 WeakPolarHBondContact O-CB 3.29Å; L282-H286 PolarHBondContact O-N 3.25Å; Y283-H286 PolarHBondContact O-N 3.11Å; H286-K288 VanDerWaalsContact C-N 3.28Å; H286-K288 PolarHBondContact O-N 2.92Å; H286-D289 PolarHBondContact O-N 3.46Å; H286-S290 WeakPolarHBondContact O-CB 3.38Å; H286-S290 PolarHBondContact O-N 3.34Å |
| 287 | N | 63.2 | Low | 65.3 | Low | 90 Ų | 90 | 123.6 Ų | 123.6 | 48% | 0.481 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -69.1 | -25.6 | 174.6 | -118.7 | 20.4 | 0 | 0 | 0 | 113 | Y283 K285 | Y283-N287 WeakPolarHBondContact O-CB 3.49Å; Y283-N287 PolarHBondContact O-N 2.93Å; K285-N287 VanDerWaalsContact C-N 3.34Å; K285-N287 PolarHBondContact O-N 3.05Å |
| 288 | K | 58.3 | Low | 62.5 | Low | 165 Ų | 165 | 122.4 Ų | 122.4 | 72% | 0.717 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.3 | -37 | 174.2 | -167.3 | 172.9 | -179.8 | 176.8 | 0 | 111.4 | K284 K285 H286 | K284-K288 WeakPolarHBondContact O-CB 3.49Å; K284-K288 PolarHBondContact O-N 3.42Å; K284-K288 VanDerWaalsContact O-N 3.11Å; K285-K288 WeakPolarHBondContact O-CA 3.41Å; K285-K288 WeakPolarHBondContact O-CB 3.4Å; K285-K288 PolarHBondContact O-N 2.91Å; H286-K288 VanDerWaalsContact C-N 3.28Å; H286-K288 PolarHBondContact O-N 2.92Å |
| 289 | D | 56.8 | Low | 59.8 | Low | 85 Ų | 85 | 127.8 Ų | 127.8 | 46% | 0.455 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -74.3 | -30.5 | 176.4 | -63 | -19.4 | 0 | 0 | 0 | 111.6 | K285 H286 C291 Q292 | K285-D289 PolarHBondContact O-N 3.43Å; H286-D289 PolarHBondContact O-N 3.46Å; D289-C291 PolarHBondContact O-N 3.11Å; D289-Q292 PolarHBondContact O-N 3.27Å; D289-Q292 VanDerWaalsContact O-N 3.11Å |
| 290 | S | 50.7 | Low | 56.8 | Low | 76 Ų | 76 | 130.4 Ų | 130.4 | 53% | 0.531 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | -10.9 | 177.3 | -162.5 | 0 | 0 | 0 | 0 | 114.7 | H286 | H286-S290 WeakPolarHBondContact O-CB 3.38Å; H286-S290 PolarHBondContact O-N 3.34Å |
| 291 | C | 49.1 | Very low | 53.9 | Low | 119 Ų | 119 | 132.3 Ų | 132.3 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 2.2 | 169.9 | -89.9 | 0 | 0 | 0 | 0 | 113.5 | D289 | D289-C291 PolarHBondContact O-N 3.11Š|
| 292 | Q | 45.2 | Very low | 50.8 | Low | 166 Ų | 166 | 130.7 Ų | 130.7 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -109.9 | -5.2 | 175.9 | -74.8 | -163.9 | -34.8 | 0 | 0 | 114.7 | D289 S294 | D289-Q292 PolarHBondContact O-N 3.27Å; D289-Q292 VanDerWaalsContact O-N 3.11Å; Q292-S294 PolarHBondContact O-N 3.35Å |
| 293 | T | 40.9 | Very low | 47.8 | Very low | 122 Ų | 122 | 131 Ų | 131 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -98.8 | 68.7 | -179 | -39.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 294 | S | 46.1 | Very low | 45.6 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -146.7 | 37.9 | 159.4 | 75.5 | 0 | 0 | 0 | 0 | 112.8 | Q292 | Q292-S294 PolarHBondContact O-N 3.35Š|
| 295 | V | 41.8 | Very low | 43 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 72% | 0.715 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -148.2 | 139.6 | 159.9 | -163.9 | 0 | 0 | 0 | 0 | 108 | ||
| 296 | F | 37.8 | Very low | 40.4 | Very low | 196 Ų | 196 | 125.4 Ų | 125.4 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | 88.4 | 84.1 | 176.5 | -77.2 | -86.2 | 0 | 0 | 0 | 119.1 | ||||
| 297 | Q | 33.3 | Very low | 38.3 | Very low | 201 Ų | 201 | 127.6 Ų | 127.6 | 94% | 0.939 | 76% | 0.759 | S | S | * | * | trans | -132.4 | 117.7 | 133.3 | -129.8 | 167.5 | -11.4 | 0 | 0 | 108.8 | ||||
| 298 | G | 31.7 | Very low | 36.7 | Very low | 68 Ų | 68 | 126.3 Ų | 126.3 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -69.5 | 175.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 299 | K | 32.1 | Very low | 35.4 | Very low | 209 Ų | 209 | 127.5 Ų | 127.5 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | cis | -172.3 | 144.5 | 38.8 | -139.2 | 172.7 | -174.6 | 177.6 | 0 | 109.5 | ||||
| 300 | S | 25.5 | Very low | 34.3 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | 58.2 | 109.7 | 143.2 | -174 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 301 | S | 27.2 | Very low | 33.5 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | -178 | 137 | 111.2 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 302 | S | 25.4 | Very low | 32.7 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | 66.9 | 121.6 | 161.8 | 58.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 303 | C | 22.6 | Very low | 32.2 | Very low | 124 Ų | 124 | 136 Ų | 136 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -79.2 | 169.7 | 158.7 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 304 | P | 36.7 | Very low | 32.1 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | cis | -141.5 | 171.6 | 17.4 | 39.4 | -19.2 | 0 | 0 | 0 | 118.4 | ||||
| 305 | A | 25.5 | Very low | 31.8 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | 108.2 | 134.8 | 140.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 306 | A | 27.3 | Very low | 31.4 | Very low | 94 Ų | 94 | 142.5 Ų | 142.5 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | 95.1 | 102 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 307 | D | 27.2 | Very low | 31.2 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 94% | 0.941 | 81% | 0.812 | S | S | * | * | 64.5 | 135.4 | 126.5 | -93.3 | -10.1 | 0 | 0 | 0 | 123.9 | |||||
| 308 | G | 30.4 | Very low | 31.2 | Very low | 63 Ų | 63 | 134 Ų | 134 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | trans | 95.8 | 102.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 309 | E | 30.5 | Very low | 31.3 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | 54.1 | 128.1 | 93.7 | -79.3 | -175.5 | 161.1 | 0 | 0 | 112.8 | |||||
| 310 | E | 32.8 | Very low | 31.5 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | cis | -163.8 | 164.5 | 18.5 | -150.9 | -179.8 | 177 | 0 | 0 | 109.6 | ||||
| 311 | D | 35.1 | Very low | 31.9 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -63.8 | 146.7 | -169.8 | -110.6 | -29.8 | 0 | 0 | 0 | 116.8 | L313 | D311-L313 HydrophobicContact CB-CD1 4.39Š| ||
| 312 | N | 32.2 | Very low | 32.2 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -114.5 | 94.9 | 166 | -126 | -24.5 | 0 | 0 | 0 | 108.8 | ||||
| 313 | L | 33.9 | Very low | 32.7 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -75.6 | 121.1 | 178.9 | -83.3 | 116.7 | 0 | 0 | 0 | 112.1 | D311 | D311-L313 HydrophobicContact CB-CD1 4.39Š| ||
| 314 | H | 38.7 | Very low | 33.3 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 82% | 0.819 | 79% | 0.792 | S | S | * | * | trans | -122.1 | 111.1 | 155.6 | -76.9 | -54.2 | 0 | 0 | 0 | 109.7 | ||||
| 315 | Y | 40 | Very low | 33 | Very low | 214 Ų | 214 | 144 Ų | 144 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -77 | 141.8 | 171.6 | 67.5 | -85.3 | 0 | 0 | 0 | 110.3 | ||||
| 316 | A | 33.8 | Very low | 33.3 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -122.7 | 115.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 317 | A | 34.1 | Very low | 33.4 | Very low | 95 Ų | 95 | 150.6 Ų | 150.6 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -90.4 | 113.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 318 | V | 32.6 | Very low | 33.5 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -77.3 | 120.8 | 173.7 | 172.3 | 0 | 0 | 0 | 0 | 108.7 | V320 | V318-V320 HydrophobicContact CG1-CG2 3.87Å; V318-V320 PolarHBondContact O-N 3.32Å | ||
| 319 | N | 33.8 | Very low | 33.5 | Very low | 137 Ų | 137 | 156.1 Ų | 156.1 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -81.3 | 110.3 | 171.5 | -169.4 | 17.2 | 0 | 0 | 0 | 109.2 | ||||
| 320 | V | 36.5 | Very low | 33.5 | Very low | 118 Ų | 118 | 155.5 Ų | 155.5 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -103.6 | 109.9 | 172.2 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | V318 | V318-V320 HydrophobicContact CG1-CG2 3.87Å; V318-V320 PolarHBondContact O-N 3.32Å | ||
| 321 | N | 33.8 | Very low | 33.2 | Very low | 136 Ų | 136 | 155.4 Ų | 155.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -81.1 | 126.5 | 168.3 | -78.6 | -28.4 | 0 | 0 | 0 | 109.9 | ||||
| 322 | Q | 33.9 | Very low | 32.9 | Very low | 182 Ų | 182 | 153.4 Ų | 153.4 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -162.1 | 161.1 | 153.9 | -110.6 | -175.9 | 18.3 | 0 | 0 | 111 | ||||
| 323 | P | 35.8 | Very low | 32.9 | Very low | 108 Ų | 108 | 155 Ų | 155 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | -116.5 | 155.5 | -119.3 | 17.1 | 6.5 | 0 | 0 | 0 | 115.5 | |||||
| 324 | T | 35.7 | Very low | 32.8 | Very low | 138 Ų | 138 | 156.8 Ų | 156.8 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | 16.5 | 117.7 | 155.6 | 48.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 325 | R | 30 | Very low | 32.3 | Very low | 254 Ų | 254 | 154.4 Ų | 154.4 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | trans | -155.4 | 144.6 | 132 | -133.7 | 175.5 | -177.8 | -179.8 | 1 | 112.7 | ||||
| 326 | S | 31.2 | Very low | 31.8 | Very low | 108 Ų | 108 | 152.2 Ų | 152.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -71.6 | 145.1 | -169.9 | 63.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 327 | R | 30.1 | Very low | 31.8 | Very low | 222 Ų | 222 | 153.8 Ų | 153.8 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | 173.7 | 133.3 | 114.8 | -126.3 | 173.5 | 172.9 | 166.9 | -3.2 | 112.8 | |||||
| 328 | R | 29.6 | Very low | 31.7 | Very low | 199 Ų | 199 | 155.4 Ų | 155.4 | 75% | 0.751 | 79% | 0.789 | S | S | * | * | trans | 53.7 | 115.4 | 144.5 | -105.4 | -177.8 | 172.8 | 154.2 | 1 | 122.1 | ||||
| 329 | Q | 30.4 | Very low | 31.8 | Very low | 157 Ų | 157 | 160.8 Ų | 160.8 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | 62.2 | 114.1 | 124.5 | -90.4 | -179.7 | -34.7 | 0 | 0 | 122.4 | |||||
| 330 | K | 28.8 | Very low | 31.7 | Very low | 176 Ų | 176 | 159.3 Ų | 159.3 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | 95 | 122.1 | 118.1 | -142.1 | -173.7 | -174 | -179.3 | 0 | 119.7 | |||||
| 331 | K | 27.2 | Very low | 31.5 | Very low | 182 Ų | 182 | 159 Ų | 159 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 55.8 | 116.2 | 146.4 | -92 | -173.7 | 167.5 | -173.3 | 0 | 118.5 | ||||
| 332 | S | 29.2 | Very low | 31.5 | Very low | 101 Ų | 101 | 161.5 Ų | 161.5 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | 79.7 | 111.6 | 90 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 333 | Q | 30.8 | Very low | 31.4 | Very low | 187 Ų | 187 | 162.8 Ų | 162.8 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | -171.7 | 135.3 | 116.2 | -107.4 | 174.2 | -24.9 | 0 | 0 | 110.8 | |||||
| 334 | E | 32.5 | Very low | 31.4 | Very low | 182 Ų | 182 | 170.3 Ų | 170.3 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | trans | -57.8 | 145.4 | 156.8 | -67.4 | 163.7 | 126.8 | 0 | 0 | 110.6 | ||||
| 335 | T | 28.2 | Very low | 31.2 | Very low | 126 Ų | 126 | 172 Ų | 172 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | 168.4 | 145.2 | 135.7 | 37.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 336 | E | 29 | Very low | 31.3 | Very low | 169 Ų | 169 | 167.6 Ų | 167.6 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | cis | -168.1 | 149.5 | 12 | -126 | 167 | 149.7 | 0 | 0 | 105.7 | ||||
| 337 | C | 34.3 | Very low | 31.3 | Very low | 128 Ų | 128 | 170.9 Ų | 170.9 | 87% | 0.865 | 84% | 0.836 | S | S | * | * | trans | -74.5 | 133.7 | 171 | -66.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 338 | V | 31.9 | Very low | 31.3 | Very low | 130 Ų | 130 | 167.9 Ų | 167.9 | 79% | 0.788 | 84% | 0.836 | S | S | * | * | trans | -137.2 | 115.3 | 159.1 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 339 | Y | 34.8 | Very low | 31.4 | Very low | 237 Ų | 237 | 166 Ų | 166 | 93% | 0.929 | 84% | 0.842 | S | S | * | * | trans | -101.4 | 132.8 | 165.2 | -99.5 | -87.8 | 0 | 0 | 0 | 109.2 | ||||
| 340 | S | 32.5 | Very low | 31.5 | Very low | 105 Ų | 105 | 166.6 Ų | 166.6 | 73% | 0.734 | 85% | 0.849 | S | S | * | * | trans | -175.1 | 142.4 | 153.5 | 59.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 341 | S | 31.1 | Very low | 31.7 | Very low | 111 Ų | 111 | 165.9 Ų | 165.9 | 78% | 0.776 | 86% | 0.855 | S | S | * | * | cis | -175.7 | 146.1 | 1 | 40.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 342 | M | 34 | Very low | 32 | Very low | 190 Ų | 190 | 164.7 Ų | 164.7 | 94% | 0.936 | 86% | 0.86 | S | S | * | * | trans | -60.2 | 145.8 | 173.7 | -72.3 | 174.7 | 166 | 0 | 0 | 112.6 | ||||
| 343 | K | 32.8 | Very low | 32.3 | Very low | 208 Ų | 208 | 170 Ų | 170 | 90% | 0.904 | 87% | 0.872 | S | S | * | * | trans | -140.9 | 109.5 | 149.7 | -100.8 | -173.8 | 178.3 | -179.6 | 0 | 110 | ||||
| 344 | Q | 35.6 | Very low | 32.4 | Very low | 267 Ų | 267 | 168.5 Ų | 168.5 | 100% | 1.248 | 87% | 0.872 | S | S | * | * | trans | 42.8 | 0 | 146.6 | -148.4 | 165.9 | 5.4 | 0 | 0 | 120.4 |
Retrieved 344 of 344 residues in 213.6 ms
(Link to these results)