| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.8 | Very low | 35.6 | Very low | 240 Ų | 240 | 146.8 Ų | 146.8 | 100% | 1.182 | 84% | 0.844 | S | S | * | * | 0 | 107.2 | 0 | -74.3 | 172.5 | 174.4 | 0 | 0 | 104.7 | |||||
| 2 | E | 37.1 | Very low | 35.5 | Very low | 193 Ų | 193 | 143.1 Ų | 143.1 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | cis | -146.8 | 151.4 | 21.2 | -75.4 | 166.2 | 130.2 | 0 | 0 | 109.4 | ||||
| 3 | E | 36.3 | Very low | 35.7 | Very low | 186 Ų | 186 | 138.8 Ų | 138.8 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -75.6 | 155.3 | 162.6 | -66.2 | -173.5 | 141.2 | 0 | 0 | 110.7 | ||||
| 4 | M | 33.8 | Very low | 35.8 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | trans | 179.3 | 106 | 137 | -99.5 | 165.7 | 176.7 | 0 | 0 | 107.7 | ||||
| 5 | S | 37.4 | Very low | 36.3 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | 100.3 | 100.4 | 75.6 | -162.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 6 | G | 38.2 | Very low | 37.2 | Very low | 77 Ų | 77 | 133.9 Ų | 133.9 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -86.9 | 116 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S8 | G6-S8 PolarHBondContact O-N 3.47Š| ||
| 7 | D | 32.7 | Very low | 38.3 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -77.9 | 121.7 | 174.5 | -84.9 | -22.7 | 0 | 0 | 0 | 110.7 | ||||
| 8 | S | 34.5 | Very low | 40 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | -75.3 | 137.8 | 173.8 | 50.8 | 0 | 0 | 0 | 0 | 110.6 | G6 V10 | G6-S8 PolarHBondContact O-N 3.47Å; S8-V10 PolarHBondContact O-N 3.17Å; S8-V10 VanDerWaalsContact O-N 3.17Å | ||
| 9 | V | 34.1 | Very low | 41.6 | Very low | 142 Ų | 142 | 126.1 Ų | 126.1 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -68.5 | 108.4 | 174.2 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | S11 | V9-S11 PolarHBondContact O-N 3.17Š| ||
| 10 | V | 33.4 | Very low | 43.4 | Very low | 126 Ų | 126 | 129 Ų | 129 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -88.7 | 97 | 168 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | S8 S12 | S8-V10 PolarHBondContact O-N 3.17Å; S8-V10 VanDerWaalsContact O-N 3.17Å; V10-S12 PolarHBondContact O-N 3.42Å | ||
| 11 | S | 35.8 | Very low | 44.9 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -70.3 | 103.1 | 165.1 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | V9 A13 | V9-S11 PolarHBondContact O-N 3.17Å; S11-A13 PolarHBondContact O-N 3.33Å; S11-A13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | S | 34.3 | Very low | 46.4 | Very low | 102 Ų | 102 | 118.3 Ų | 118.3 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | -71 | 98.1 | 168.9 | 172.8 | 0 | 0 | 0 | 0 | 108.5 | V10 V14 | V10-S12 PolarHBondContact O-N 3.42Å; S12-V14 PolarHBondContact O-N 3.11Å | ||
| 13 | A | 39.1 | Very low | 47.5 | Very low | 87 Ų | 87 | 112 Ų | 112 | 72% | 0.719 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 117.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | S11 | S11-A13 PolarHBondContact O-N 3.33Å; S11-A13 VanDerWaalsContact O-N 3.11Å |
| 14 | V | 37.3 | Very low | 48.7 | Very low | 129 Ų | 129 | 105.3 Ų | 105.3 | 78% | 0.782 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 127.6 | 170 | -168.9 | 0 | 0 | 0 | 0 | 107.6 | S12 A16 | S12-V14 PolarHBondContact O-N 3.11Å; V14-A16 PolarHBondContact O-N 3.25Å |
| 15 | P | 43 | Very low | 49.9 | Very low | 117 Ų | 117 | 105 Ų | 105 | 76% | 0.76 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 124.4 | -179 | 24.9 | -31 | 0 | 0 | 0 | 109.8 | A17 | P15-A17 PolarHBondContact O-N 3.14Š|
| 16 | A | 50.2 | Low | 50.6 | Low | 92 Ų | 92 | 103.4 Ų | 103.4 | 76% | 0.76 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 124.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | V14 T18 | V14-A16 PolarHBondContact O-N 3.25Å; A16-T18 PolarHBondContact O-N 3.32Å; A16-T18 VanDerWaalsContact O-N 3.14Å |
| 17 | A | 56.5 | Low | 50.9 | Low | 79 Ų | 79 | 103.3 Ų | 103.3 | 65% | 0.653 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 119.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | P15 T19 | P15-A17 PolarHBondContact O-N 3.14Å; A17-T19 PolarHBondContact O-N 3.36Å |
| 18 | T | 68.9 | Low | 51.6 | Low | 101 Ų | 101 | 99.7 Ų | 99.7 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | trans | -75.6 | 105.9 | 179.7 | -60.2 | 0 | 0 | 0 | 0 | 108.8 | A16 | A16-T18 PolarHBondContact O-N 3.32Å; A16-T18 VanDerWaalsContact O-N 3.14Å | ||
| 19 | T | 69.2 | Low | 52.3 | Low | 73 Ų | 73 | 101.7 Ų | 101.7 | 45% | 0.448 | 64% | 0.644 | S | S | . | * | trans | -92.5 | 145.9 | 173.2 | 51.1 | 0 | 0 | 0 | 0 | 110.6 | A17 L76 | A17-T19 PolarHBondContact O-N 3.36Å; T19-L76 HydrophobicContact CG2-CD1 3.57Å | ||
| 20 | R | 79.4 | Confident | 52.9 | Low | 185 Ų | 185 | 99.7 Ų | 99.7 | 70% | 0.698 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -125.8 | 132 | 176 | -74.5 | -179.3 | 155.5 | -179.1 | -5.7 | 110.1 | T22 T69 | R20-T22 HydrophobicContact CB-CG2 4.35Å; R20-T69 PolarHBondContact N-O 2.89Å; R20-T69 PolarHBondContact O-N 3.17Å |
| 21 | T | 73.8 | Confident | 54 | Low | 83 Ų | 83 | 97.1 Ų | 97.1 | 51% | 0.509 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.9 | 119.4 | 169.1 | -49.7 | 0 | 0 | 0 | 0 | 108.5 | E66 L68 | T21-E66 HydrophobicContact CG2-CB 3.7Å; T21-E66 HydrophobicContact CG2-CG 4.18Å; T21-E66 WeakPolarHBondContact CG2-OE2 3.41Å; T21-L68 WeakPolarHBondContact OG1-CD2 3.14Å |
| 22 | T | 68.4 | Low | 55.7 | Low | 61 Ų | 61 | 99.9 Ų | 99.9 | 37% | 0.374 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.3 | 178.3 | 60.4 | 0 | 0 | 0 | 0 | 110.1 | R20 F24 V67 | R20-T22 HydrophobicContact CB-CG2 4.35Å; T22-F24 PolarHBondContact O-N 2.9Å; T22-V67 PolarHBondContact N-O 3.3Å; T22-V67 VanDerWaalsContact N-O 3.07Å; T22-V67 PolarHBondContact O-N 2.95Å |
| 23 | S | 60.3 | Low | 58.2 | Low | 61 Ų | 61 | 101.9 Ų | 101.9 | 43% | 0.427 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.4 | 125.6 | 161.6 | 179 | 0 | 0 | 0 | 0 | 107.9 | K25 G63 | S23-K25 PolarHBondContact O-N 3.43Å; S23-G63 PolarHBondContact OG-O 3.17Å; S23-G63 VanDerWaalsContact OG-O 3.07Å |
| 24 | F | 63.3 | Low | 60.7 | Low | 46 Ų | 46 | 98.1 Ų | 98.1 | 20% | 0.202 | 58% | 0.583 | C | S | . | * | trans | -65.5 | 95.7 | -179.9 | -171.2 | -94.5 | 0 | 0 | 0 | 109.5 | T22 G26 M47 F61 G63 V67 I75 | T22-F24 PolarHBondContact O-N 2.9Å; F24-G26 PolarHBondContact O-N 3.5Å; F24-M47 HydrophobicContact CD1-CE 4.42Å; F24-M47 HydrophobicContact CE1-CE 3.7Å; F24-M47 HydrophobicContact CE1-SD 3.84Å; F24-M47 HydrophobicContact CZ-CE 4.38Å; F24-M47 HydrophobicContact CZ-SD 3.9Å; F24-F61 HydrophobicContact CE1-CD1 4.45Å; F24-F61 HydrophobicContact CZ-CD1 4.46Å; F24-G63 WeakPolarHBondContact O-CA 3.32Å; F24-V67 HydrophobicContact CB-CG2 4.24Å; F24-I75 HydrophobicContact CD2-CD1 4.17Å; F24-I75 HydrophobicContact CE2-CD1 4.15Å | ||
| 25 | K | 57.1 | Low | 63.4 | Low | 182 Ų | 182 | 95.8 Ų | 95.8 | 79% | 0.791 | 56% | 0.562 | S | S | * | * | trans | -80.8 | 109.1 | 165 | -76.8 | -179.4 | 178.1 | 178 | 0 | 106.3 | S23 S27 | S23-K25 PolarHBondContact O-N 3.43Å; K25-S27 PolarHBondContact O-N 3.06Å | ||
| 26 | G | 53.7 | Low | 65.9 | Low | 67 Ų | 67 | 90.2 Ų | 90.2 | 69% | 0.691 | 53% | 0.526 | S | S | * | . | trans | -46.3 | 100.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | F24 S28 | F24-G26 PolarHBondContact O-N 3.5Å; G26-S28 PolarHBondContact O-N 2.81Å | ||
| 27 | S | 44.5 | Very low | 68.1 | Low | 76 Ų | 76 | 87.5 Ų | 87.5 | 53% | 0.531 | 50% | 0.499 | S | S | . | . | trans | -81.9 | 107.3 | -171.8 | 67.9 | 0 | 0 | 0 | 0 | 108.4 | K25 | K25-S27 PolarHBondContact O-N 3.06Š| ||
| 28 | S | 47.4 | Very low | 70 | Confident | 78 Ų | 78 | 83.7 Ų | 83.7 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 143.9 | 160.8 | 43.4 | 0 | 0 | 0 | 0 | 117.2 | G26 S30 | G26-S28 PolarHBondContact O-N 2.81Å; S28-S30 PolarHBondContact O-N 2.9Å |
| 29 | P | 48.5 | Very low | 71.2 | Confident | 141 Ų | 141 | 81.5 Ų | 81.5 | 92% | 0.916 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 10.8 | -177 | 25.7 | -33.1 | 0 | 0 | 0 | 115.5 | ||
| 30 | S | 46.9 | Very low | 72.4 | Confident | 99 Ų | 99 | 80.9 Ų | 80.9 | 69% | 0.692 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -17.9 | -170.6 | 54.7 | 0 | 0 | 0 | 0 | 116.4 | S28 | S28-S30 PolarHBondContact O-N 2.9Š|
| 31 | S | 55.3 | Low | 73.2 | Confident | 73 Ų | 73 | 73.5 Ų | 73.5 | 51% | 0.51 | 45% | 0.452 | S | S | . | . | trans | -99.6 | 91.6 | 172.4 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | Y33 | S31-Y33 PolarHBondContact O-N 2.99Å; S31-Y33 VanDerWaalsContact O-N 3.15Å; S31-Y33 PolarHBondContact OG-O 3.33Å | ||
| 32 | K | 73.5 | Confident | 74.2 | Confident | 165 Ų | 165 | 74.1 Ų | 74.1 | 72% | 0.717 | 45% | 0.451 | S | S | * | . | trans | -62.1 | -18.1 | 175.9 | -66.6 | -177.2 | 179.8 | 176.9 | 0 | 113.1 | T46 | K32-T46 WeakPolarHBondContact O-CB 3.4Å; K32-T46 WeakPolarHBondContact O-CG2 3.28Å | ||
| 33 | Y | 86.8 | Confident | 75.6 | Confident | 144 Ų | 144 | 73.6 Ų | 73.6 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 148.4 | -171.9 | -67.7 | -85.4 | 0 | 0 | 0 | 112.8 | S31 T45 T46 | S31-Y33 PolarHBondContact O-N 2.99Å; S31-Y33 VanDerWaalsContact O-N 3.15Å; S31-Y33 PolarHBondContact OG-O 3.33Å; Y33-T45 CarbonylContact C-O 3.22Å; Y33-T45 VanDerWaalsContact CA-O 3.26Å; Y33-T45 WeakPolarHBondContact CA-O 3.49Å; Y33-T46 HydrophobicContact CD1-CG2 4.1Å; Y33-T46 HydrophobicContact CE1-CG2 3.99Å |
| 34 | V | 90.9 | Very high | 77.2 | Confident | 9 Ų | 9 | 76.8 Ų | 76.8 | 6% | 0.055 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.2 | 178.2 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | L36 Y44 T45 M47 L50 F61 I75 | V34-L36 HydrophobicContact CG1-CG 4.34Å; V34-Y44 WeakPolarHBondContact O-CA 3.12Å; V34-T45 PolarHBondContact N-O 2.95Å; V34-T45 PolarHBondContact O-N 3.03Å; V34-T45 VanDerWaalsContact O-N 3.12Å; V34-M47 HydrophobicContact CG2-CG 3.63Å; V34-M47 HydrophobicContact CG2-SD 3.44Å; V34-M47 WeakPolarHBondContact CG2-SD 3.47Å; V34-L50 HydrophobicContact CB-CD1 4.08Å; V34-L50 HydrophobicContact CG1-CD1 3.93Å; V34-L50 HydrophobicContact CG2-CD1 4.17Å; V34-F61 HydrophobicContact CG1-CD1 4.41Å; V34-F61 HydrophobicContact CG1-CE1 3.47Å; V34-F61 VanDerWaalsContact CG1-CE1 3.47Å; V34-F61 HydrophobicContact CG1-CZ 3.8Å; V34-I75 HydrophobicContact CG1-CD1 4.06Å |
| 35 | K | 93.8 | Very high | 78.7 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 34% | 0.343 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.3 | 177.2 | -58.3 | -170.3 | -170.5 | 172 | 0 | 110.2 | Y44 E72 W74 I75 | K35-Y44 HydrophobicContact CD-CE1 3.98Å; K35-Y44 HydrophobicContact CG-CD1 4.04Å; K35-Y44 HydrophobicContact CG-CE1 3.61Å; K35-E72 PolarHBondContact NZ-O 2.92Å; K35-W74 HydrophobicContact CB-CD2 3.92Å; K35-W74 HydrophobicContact CB-CE3 3.58Å; K35-W74 HydrophobicContact CB-CG 4.49Å; K35-W74 HydrophobicContact CB-CH2 4.44Å; K35-W74 HydrophobicContact CB-CZ3 3.86Å; K35-W74 HydrophobicContact CD-CD2 4.3Å; K35-W74 HydrophobicContact CD-CZ2 4.32Å; K35-I75 PolarHBondContact O-N 2.93Å |
| 36 | L | 95.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.3 | -177.8 | -69 | 156.3 | 0 | 0 | 0 | 109.8 | V34 V38 Y43 T45 L50 F61 W74 I75 I77 F84 | V34-L36 HydrophobicContact CG1-CG 4.34Å; L36-V38 HydrophobicContact CB-CG2 4.4Å; L36-Y43 PolarHBondContact N-O 3.22Å; L36-Y43 PolarHBondContact O-N 2.77Å; L36-T45 HydrophobicContact CD1-CG2 3.73Å; L36-L50 HydrophobicContact CD1-CD1 4.23Å; L36-L50 HydrophobicContact CD1-CD2 4.13Å; L36-F61 HydrophobicContact CD2-CE2 4.02Å; L36-F61 HydrophobicContact CD2-CZ 3.69Å; L36-W74 VanDerWaalsContact C-CE3 3.46Å; L36-W74 VanDerWaalsContact O-CZ3 3.29Å; L36-W74 WeakPolarHBondContact O-CZ3 3.37Å; L36-I75 HydrophobicContact CD2-CB 4.3Å; L36-I75 HydrophobicContact CD2-CG2 4.31Å; L36-I77 HydrophobicContact CD2-CD1 3.91Å; L36-F84 HydrophobicContact CB-CE1 4.5Å; L36-F84 HydrophobicContact CD1-CE1 3.86Å; L36-F84 HydrophobicContact CD1-CZ 3.99Å |
| 37 | N | 96.3 | Very high | 82 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 19% | 0.187 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 106.1 | 171.1 | -179.2 | -8.4 | 0 | 0 | 0 | 108.3 | G40 L42 W74 I75 L76 I77 | N37-G40 WeakPolarHBondContact OD1-CA 3.29Å; N37-G40 PolarHBondContact OD1-N 2.92Å; N37-L42 HydrophobicContact CB-CD2 3.87Å; N37-W74 HydrophobicContact CB-CB 4.03Å; N37-W74 HydrophobicContact CB-CD2 4.47Å; N37-W74 HydrophobicContact CB-CE3 4.15Å; N37-W74 HydrophobicContact CB-CG 4.44Å; N37-I75 PolarHBondContact N-O 3.07Å; N37-L76 HydrophobicContact CB-CD2 3.76Å; N37-L76 WeakPolarHBondContact O-CA 3.38Å; N37-I77 PolarHBondContact O-N 3.39Å |
| 38 | V | 96.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 93.3 | -174.8 | -171 | 0 | 0 | 0 | 0 | 108.7 | L36 G40 A41 Y43 I77 R79 G81 F84 Y115 | L36-V38 HydrophobicContact CB-CG2 4.4Å; V38-G40 PolarHBondContact O-N 2.93Å; V38-A41 PolarHBondContact N-O 3.02Å; V38-A41 WeakPolarHBondContact O-CB 3.36Å; V38-A41 PolarHBondContact O-N 2.84Å; V38-Y43 HydrophobicContact CB-CD2 4.41Å; V38-Y43 HydrophobicContact CB-CE2 4.33Å; V38-Y43 HydrophobicContact CG2-CD2 4.05Å; V38-Y43 HydrophobicContact CG2-CE2 4.39Å; V38-I77 WeakPolarHBondContact CA-O 3.33Å; V38-I77 HydrophobicContact CG1-CB 4.3Å; V38-I77 HydrophobicContact CG1-CG2 4.29Å; V38-I77 HydrophobicContact CG2-CB 4.2Å; V38-I77 HydrophobicContact CG2-CD1 4.17Å; V38-R79 CarbonylContact C-O 3.6Å; V38-R79 VanDerWaalsContact C-O 3.22Å; V38-R79 HydrophobicContact CG1-CB 3.99Å; V38-G81 WeakPolarHBondContact O-CA 3.22Å; V38-G81 PolarHBondContact O-N 3.22Å; V38-F84 HydrophobicContact CB-CG 4.32Å; V38-F84 HydrophobicContact CG1-CB 4.3Å; V38-F84 HydrophobicContact CG1-CD2 4.15Å; V38-F84 HydrophobicContact CG1-CG 4.19Å; V38-F84 HydrophobicContact CG2-CD1 3.72Å; V38-F84 HydrophobicContact CG2-CD2 4.04Å; V38-F84 HydrophobicContact CG2-CE1 3.77Å; V38-F84 HydrophobicContact CG2-CE2 4.1Å; V38-F84 HydrophobicContact CG2-CG 3.84Å; V38-F84 HydrophobicContact CG2-CZ 3.96Å; V38-Y115 WeakPolarHBondContact CG1-OH 3.41Å |
| 39 | G | 94.1 | Very high | 86.3 | Confident | 55 Ų | 55 | 68.1 Ų | 68.1 | 57% | 0.567 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 35.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | I77 R79 | G39-I77 PolarHBondContact N-O 2.85Å; G39-R79 WeakPolarHBondContact CA-O 3.47Å; G39-R79 PolarHBondContact N-O 3Å |
| 40 | G | 93.2 | Very high | 88.4 | Confident | 60 Ų | 60 | 61.4 Ų | 61.4 | 62% | 0.619 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | -11.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N37 V38 | N37-G40 WeakPolarHBondContact OD1-CA 3.29Å; N37-G40 PolarHBondContact OD1-N 2.92Å; V38-G40 PolarHBondContact O-N 2.93Å |
| 41 | A | 95.9 | Very high | 90.4 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 24% | 0.24 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 123.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V38 Y43 | V38-A41 PolarHBondContact N-O 3.02Å; V38-A41 WeakPolarHBondContact O-CB 3.36Å; V38-A41 PolarHBondContact O-N 2.84Å; A41-Y43 HydrophobicContact CB-CD2 4.39Å; A41-Y43 HydrophobicContact CB-CE2 3.53Å; A41-Y43 WeakPolarHBondContact O-CD2 3.15Å |
| 42 | L | 96.3 | Very high | 92 | Very high | 97 Ų | 97 | 61.5 Ų | 61.5 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 126.5 | -173.4 | -57.8 | -176.3 | 0 | 0 | 0 | 111.4 | N37 W74 | N37-L42 HydrophobicContact CB-CD2 3.87Å; L42-W74 HydrophobicContact CB-CH2 3.62Å; L42-W74 HydrophobicContact CB-CZ2 4.4Å; L42-W74 HydrophobicContact CB-CZ3 3.76Å; L42-W74 HydrophobicContact CD1-CH2 4Å; L42-W74 HydrophobicContact CD1-CZ2 3.94Å; L42-W74 HydrophobicContact CD2-CD2 4.09Å; L42-W74 HydrophobicContact CD2-CE3 3.87Å; L42-W74 HydrophobicContact CD2-CH2 3.94Å; L42-W74 HydrophobicContact CD2-CZ2 4.12Å; L42-W74 HydrophobicContact CD2-CZ3 3.81Å; L42-W74 HydrophobicContact CG-CH2 4.05Å; L42-W74 HydrophobicContact CG-CZ2 4.38Å; L42-W74 HydrophobicContact CG-CZ3 4.26Å |
| 43 | Y | 96.7 | Very high | 92.8 | Very high | 49 Ų | 49 | 56 Ų | 56 | 19% | 0.192 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.2 | 179.5 | -64.3 | -85.8 | 0 | 0 | 0 | 112.2 | L36 V38 A41 G81 F84 L88 | L36-Y43 PolarHBondContact N-O 3.22Å; L36-Y43 PolarHBondContact O-N 2.77Å; V38-Y43 HydrophobicContact CB-CD2 4.41Å; V38-Y43 HydrophobicContact CB-CE2 4.33Å; V38-Y43 HydrophobicContact CG2-CD2 4.05Å; V38-Y43 HydrophobicContact CG2-CE2 4.39Å; A41-Y43 HydrophobicContact CB-CD2 4.39Å; A41-Y43 HydrophobicContact CB-CE2 3.53Å; A41-Y43 WeakPolarHBondContact O-CD2 3.15Å; Y43-G81 PolarHBondContact OH-O 3.44Å; Y43-F84 HydrophobicContact CD1-CD1 4.08Å; Y43-F84 HydrophobicContact CD2-CB 4.45Å; Y43-F84 AromaticContact CD2-CD1 3.39Å; Y43-F84 HydrophobicContact CD2-CD1 3.39Å; Y43-F84 HydrophobicContact CD2-CE1 4.02Å; Y43-F84 HydrophobicContact CD2-CG 4.28Å; Y43-F84 HydrophobicContact CE1-CD1 4.29Å; Y43-F84 HydrophobicContact CE2-CB 3.79Å; Y43-F84 AromaticContact CE2-CD1 3.61Å; Y43-F84 HydrophobicContact CE2-CD1 3.61Å; Y43-F84 HydrophobicContact CE2-CG 4.1Å; Y43-F84 AromaticContact CG-CD1 3.64Å; Y43-F84 HydrophobicContact CG-CD1 3.64Å; Y43-F84 HydrophobicContact CG-CE1 4.08Å; Y43-L88 HydrophobicContact CD1-CD1 3.87Å; Y43-L88 HydrophobicContact CG-CD1 4.15Å |
| 44 | Y | 94.8 | Very high | 92.9 | Very high | 129 Ų | 129 | 55.8 Ų | 55.8 | 51% | 0.506 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.3 | 169.3 | -69.3 | -96.2 | 0 | 0 | 0 | 109.4 | V34 K35 W74 | V34-Y44 WeakPolarHBondContact O-CA 3.12Å; K35-Y44 HydrophobicContact CD-CE1 3.98Å; K35-Y44 HydrophobicContact CG-CD1 4.04Å; K35-Y44 HydrophobicContact CG-CE1 3.61Å; Y44-W74 HydrophobicContact CD2-CH2 4.28Å; Y44-W74 HydrophobicContact CE1-CH2 4.39Å; Y44-W74 AromaticContact CE2-CH2 3.47Å; Y44-W74 HydrophobicContact CE2-CH2 3.47Å; Y44-W74 VanDerWaalsContact CE2-CH2 3.47Å; Y44-W74 HydrophobicContact CE2-CZ2 4.25Å; Y44-W74 HydrophobicContact CE2-CZ3 4.3Å; Y44-W74 AromaticContact CZ-CH2 3.53Å; Y44-W74 AromaticContact CZ-CZ2 3.96Å; Y44-W74 WeakPolarHBondContact OH-CH2 3.36Å; Y44-W74 WeakPolarHBondContact OH-CZ2 3.46Å |
| 45 | T | 94.5 | Very high | 93 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | -177 | 176.4 | -162.9 | 0 | 0 | 0 | 0 | 110.3 | Y33 V34 L36 L50 L88 | Y33-T45 CarbonylContact C-O 3.22Å; Y33-T45 VanDerWaalsContact CA-O 3.26Å; Y33-T45 WeakPolarHBondContact CA-O 3.49Å; V34-T45 PolarHBondContact N-O 2.95Å; V34-T45 PolarHBondContact O-N 3.03Å; V34-T45 VanDerWaalsContact O-N 3.12Å; L36-T45 HydrophobicContact CD1-CG2 3.73Å; T45-L50 HydrophobicContact CG2-CD1 3.62Å; T45-L50 HydrophobicContact CG2-CD2 3.88Å; T45-L50 HydrophobicContact CG2-CG 3.64Å; T45-L88 HydrophobicContact CG2-CD2 4.11Å |
| 46 | T | 91.6 | Very high | 92.9 | Very high | 34 Ų | 34 | 53.8 Ų | 53.8 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 155.9 | 177.2 | 67.7 | 0 | 0 | 0 | 0 | 110.8 | K32 Y33 Q48 T49 L50 | K32-T46 WeakPolarHBondContact O-CB 3.4Å; K32-T46 WeakPolarHBondContact O-CG2 3.28Å; Y33-T46 HydrophobicContact CD1-CG2 4.1Å; Y33-T46 HydrophobicContact CE1-CG2 3.99Å; T46-Q48 PolarHBondContact O-N 3.3Å; T46-T49 PolarHBondContact O-N 2.94Å; T46-T49 PolarHBondContact OG1-N 2.85Å; T46-T49 PolarHBondContact OG1-OG1 2.85Å; T46-L50 PolarHBondContact O-N 2.85Å |
| 47 | M | 88.5 | Confident | 92.7 | Very high | 55 Ų | 55 | 53.8 Ų | 53.8 | 27% | 0.271 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54.6 | -39.9 | 170.4 | -73.5 | -64.3 | -64.5 | 0 | 0 | 111 | F24 V34 T49 L50 T51 F61 | F24-M47 HydrophobicContact CD1-CE 4.42Å; F24-M47 HydrophobicContact CE1-CE 3.7Å; F24-M47 HydrophobicContact CE1-SD 3.84Å; F24-M47 HydrophobicContact CZ-CE 4.38Å; F24-M47 HydrophobicContact CZ-SD 3.9Å; V34-M47 HydrophobicContact CG2-CG 3.63Å; V34-M47 HydrophobicContact CG2-SD 3.44Å; V34-M47 WeakPolarHBondContact CG2-SD 3.47Å; M47-T49 VanDerWaalsContact C-N 3.31Å; M47-T49 PolarHBondContact O-N 3.07Å; M47-L50 PolarHBondContact O-N 2.9Å; M47-L50 VanDerWaalsContact O-N 3.12Å; M47-T51 HydrophobicContact CE-CG2 4.32Å; M47-T51 WeakPolarHBondContact O-CG2 3.5Å; M47-T51 PolarHBondContact O-N 3.45Å; M47-T51 PolarHBondContact O-OG1 3.06Å; M47-F61 HydrophobicContact CE-CB 3.82Å; M47-F61 HydrophobicContact CE-CD1 4.16Å; M47-F61 HydrophobicContact CE-CG 4.42Å; M47-F61 WeakPolarHBondContact CE-O 3.45Å; M47-F61 HydrophobicContact SD-CB 4.34Å; M47-F61 HydrophobicContact SD-CD1 3.7Å; M47-F61 HydrophobicContact SD-CE1 4.46Å; M47-F61 HydrophobicContact SD-CG 4.33Å |
| 48 | Q | 90.2 | Very high | 92.5 | Very high | 158 Ų | 158 | 55.6 Ų | 55.6 | 74% | 0.738 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -56.1 | -43.6 | 178.8 | -174.1 | -179 | 6.9 | 0 | 0 | 112.2 | T46 K52 | T46-Q48 PolarHBondContact O-N 3.3Å; Q48-K52 WeakPolarHBondContact O-CB 3.47Å; Q48-K52 PolarHBondContact O-N 3.12Å; Q48-K52 VanDerWaalsContact O-N 3.09Å |
| 49 | T | 92.3 | Very high | 92 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 10% | 0.104 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 176.5 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | T46 M47 T51 K52 L91 R92 | T46-T49 PolarHBondContact O-N 2.94Å; T46-T49 PolarHBondContact OG1-N 2.85Å; T46-T49 PolarHBondContact OG1-OG1 2.85Å; M47-T49 VanDerWaalsContact C-N 3.31Å; M47-T49 PolarHBondContact O-N 3.07Å; T49-T51 VanDerWaalsContact C-N 3.31Å; T49-T51 PolarHBondContact O-N 3.15Å; T49-K52 PolarHBondContact O-N 2.75Å; T49-L91 HydrophobicContact CG2-CB 3.78Å; T49-R92 HydrophobicContact CG2-CG 3.67Å |
| 50 | L | 91.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.6 | -27.1 | -176.3 | -64.4 | 169.6 | 0 | 0 | 0 | 113.2 | V34 L36 T45 T46 M47 L57 K58 F61 L88 | V34-L50 HydrophobicContact CB-CD1 4.08Å; V34-L50 HydrophobicContact CG1-CD1 3.93Å; V34-L50 HydrophobicContact CG2-CD1 4.17Å; L36-L50 HydrophobicContact CD1-CD1 4.23Å; L36-L50 HydrophobicContact CD1-CD2 4.13Å; T45-L50 HydrophobicContact CG2-CD1 3.62Å; T45-L50 HydrophobicContact CG2-CD2 3.88Å; T45-L50 HydrophobicContact CG2-CG 3.64Å; T46-L50 PolarHBondContact O-N 2.85Å; M47-L50 PolarHBondContact O-N 2.9Å; M47-L50 VanDerWaalsContact O-N 3.12Å; L50-L57 HydrophobicContact CD2-CB 4.31Å; L50-L57 HydrophobicContact CD2-CD1 4.07Å; L50-K58 WeakPolarHBondContact O-CA 3.46Å; L50-K58 PolarHBondContact O-N 2.81Å; L50-F61 HydrophobicContact CB-CD2 4.12Å; L50-F61 HydrophobicContact CB-CG 4.41Å; L50-F61 HydrophobicContact CD1-CD1 4.21Å; L50-F61 HydrophobicContact CD1-CD2 3.77Å; L50-F61 HydrophobicContact CD1-CE1 4.07Å; L50-F61 HydrophobicContact CD1-CE2 3.68Å; L50-F61 HydrophobicContact CD1-CG 4.08Å; L50-F61 HydrophobicContact CD1-CZ 3.84Å; L50-F61 HydrophobicContact CG-CD2 4.39Å; L50-L88 HydrophobicContact CD2-CD2 4.09Å |
| 51 | T | 89.8 | Confident | 91.3 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 33% | 0.325 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -103.5 | 1.7 | -179.5 | 65.5 | 0 | 0 | 0 | 0 | 114 | M47 T49 Q53 K58 F61 | M47-T51 HydrophobicContact CE-CG2 4.32Å; M47-T51 WeakPolarHBondContact O-CG2 3.5Å; M47-T51 PolarHBondContact O-N 3.45Å; M47-T51 PolarHBondContact O-OG1 3.06Å; T49-T51 VanDerWaalsContact C-N 3.31Å; T49-T51 PolarHBondContact O-N 3.15Å; T51-Q53 PolarHBondContact O-N 2.76Å; T51-K58 HydrophobicContact CG2-CG 4.43Å; T51-F61 HydrophobicContact CG2-CB 4.27Å |
| 52 | K | 89.1 | Confident | 90.4 | Very high | 122 Ų | 122 | 54.1 Ų | 54.1 | 53% | 0.53 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -62.5 | -40.9 | -175.8 | -165.3 | -171.6 | -174.8 | -172.9 | 0 | 112.5 | Q48 T49 L91 R92 | Q48-K52 WeakPolarHBondContact O-CB 3.47Å; Q48-K52 PolarHBondContact O-N 3.12Å; Q48-K52 VanDerWaalsContact O-N 3.09Å; T49-K52 PolarHBondContact O-N 2.75Å; K52-L91 WeakPolarHBondContact CD-O 3.45Å; K52-R92 PolarHBondContact NZ-O 3.32Å |
| 53 | Q | 89.3 | Confident | 89.3 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -118 | 157.5 | -175.3 | -60.6 | -175.5 | 18 | 0 | 0 | 110.5 | T51 T55 K58 L91 | T51-Q53 PolarHBondContact O-N 2.76Å; Q53-T55 HydrophobicContact CB-CG2 3.95Å; Q53-T55 PolarHBondContact O-N 3Å; Q53-K58 WeakPolarHBondContact O-CB 3.45Å; Q53-K58 WeakPolarHBondContact O-CD 3.48Å; Q53-L91 HydrophobicContact CB-CD2 4.13Å; Q53-L91 HydrophobicContact CG-CD2 4.21Å |
| 54 | D | 90.1 | Very high | 88.1 | Confident | 138 Ų | 138 | 59 Ų | 59 | 74% | 0.738 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -78.2 | 90 | 178.6 | -150 | 48.2 | 0 | 0 | 0 | 111.2 | K58 | D54-K58 IonicContact OD1-NZ 3.87Å; D54-K58 PolarHBondContact OD1-NZ 3.26Å |
| 55 | T | 93.1 | Very high | 87.3 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -133.5 | 167.4 | -171.4 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | Q53 L57 K58 A59 L91 Y115 V117 | Q53-T55 HydrophobicContact CB-CG2 3.95Å; Q53-T55 PolarHBondContact O-N 3Å; T55-L57 PolarHBondContact O-N 3.44Å; T55-K58 WeakPolarHBondContact O-CB 3.36Å; T55-K58 PolarHBondContact O-N 3Å; T55-K58 VanDerWaalsContact O-N 3.13Å; T55-K58 PolarHBondContact OG1-N 3.47Å; T55-A59 PolarHBondContact O-N 3.24Å; T55-L91 HydrophobicContact CG2-CD2 4.05Å; T55-Y115 WeakPolarHBondContact CB-O 3.26Å; T55-V117 HydrophobicContact CG2-CG2 3.96Å |
| 56 | M | 91.3 | Very high | 86.5 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.3 | -39 | 171.7 | -177.3 | -168.3 | 174.3 | 0 | 0 | 111.1 | K58 A59 M60 M65 Y114 Y115 L116 | M56-K58 PolarHBondContact O-N 3.3Å; M56-A59 WeakPolarHBondContact O-CA 3.38Å; M56-A59 WeakPolarHBondContact O-CB 3.43Å; M56-A59 PolarHBondContact O-N 2.93Å; M56-M60 HydrophobicContact CE-SD 4.02Å; M56-M60 HydrophobicContact CG-SD 4.49Å; M56-M60 WeakPolarHBondContact O-CG 3.44Å; M56-M60 PolarHBondContact O-N 2.75Å; M56-M65 HydrophobicContact CE-CE 4.19Å; M56-Y114 HydrophobicContact CE-CE1 4.17Å; M56-Y114 HydrophobicContact SD-CD1 4.24Å; M56-Y114 HydrophobicContact SD-CE1 3.8Å; M56-Y115 WeakPolarHBondContact CB-O 3.44Å; M56-Y115 PolarHBondContact N-O 3.29Å; M56-L116 HydrophobicContact CB-CB 4.5Å; M56-L116 HydrophobicContact CB-CD1 4.2Å; M56-L116 HydrophobicContact CB-CG 4.24Å |
| 57 | L | 91.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 177.5 | -67.1 | 170.5 | 0 | 0 | 0 | 110.7 | L50 T55 A59 M60 F61 I77 F84 I87 L91 Y115 | L50-L57 HydrophobicContact CD2-CB 4.31Å; L50-L57 HydrophobicContact CD2-CD1 4.07Å; T55-L57 PolarHBondContact O-N 3.44Å; L57-A59 PolarHBondContact O-N 3.33Å; L57-M60 HydrophobicContact CD2-SD 4.31Å; L57-M60 WeakPolarHBondContact O-CB 3.49Å; L57-M60 PolarHBondContact O-N 3.33Å; L57-M60 VanDerWaalsContact O-N 3.15Å; L57-F61 WeakPolarHBondContact O-CD2 3.44Å; L57-F61 PolarHBondContact O-N 3.28Å; L57-I77 HydrophobicContact CD2-CD1 4.05Å; L57-F84 HydrophobicContact CD1-CE2 4.23Å; L57-F84 HydrophobicContact CD1-CZ 4.35Å; L57-F84 HydrophobicContact CD2-CE2 4.45Å; L57-F84 HydrophobicContact CD2-CZ 4.49Å; L57-I87 HydrophobicContact CD1-CG2 4.46Å; L57-L91 HydrophobicContact CD1-CD1 3.84Å; L57-Y115 HydrophobicContact CD1-CD1 4.18Å; L57-Y115 HydrophobicContact CD1-CG 4.44Å; L57-Y115 HydrophobicContact CD2-CD1 3.88Å; L57-Y115 HydrophobicContact CD2-CE1 4.08Å; L57-Y115 HydrophobicContact CG-CD1 3.86Å; L57-Y115 HydrophobicContact CG-CG 4.48Å |
| 58 | K | 90.8 | Very high | 86.3 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.8 | -39.8 | 174.1 | -179.8 | -178.9 | 170.8 | -162.1 | 0 | 112 | L50 T51 Q53 D54 T55 M56 F61 S62 | L50-K58 WeakPolarHBondContact O-CA 3.46Å; L50-K58 PolarHBondContact O-N 2.81Å; T51-K58 HydrophobicContact CG2-CG 4.43Å; Q53-K58 WeakPolarHBondContact O-CB 3.45Å; Q53-K58 WeakPolarHBondContact O-CD 3.48Å; D54-K58 IonicContact OD1-NZ 3.87Å; D54-K58 PolarHBondContact OD1-NZ 3.26Å; T55-K58 WeakPolarHBondContact O-CB 3.36Å; T55-K58 PolarHBondContact O-N 3Å; T55-K58 VanDerWaalsContact O-N 3.13Å; T55-K58 PolarHBondContact OG1-N 3.47Å; M56-K58 PolarHBondContact O-N 3.3Å; K58-F61 CarbonylContact O-C 3.57Å; K58-F61 PolarHBondContact O-N 3.28Å; K58-S62 WeakPolarHBondContact O-CB 3.18Å; K58-S62 PolarHBondContact O-N 3.05Å |
| 59 | A | 87.3 | Confident | 86.3 | Confident | 34 Ų | 34 | 56.4 Ų | 56.4 | 28% | 0.281 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T55 M56 L57 F61 S62 M65 | T55-A59 PolarHBondContact O-N 3.24Å; M56-A59 WeakPolarHBondContact O-CA 3.38Å; M56-A59 WeakPolarHBondContact O-CB 3.43Å; M56-A59 PolarHBondContact O-N 2.93Å; L57-A59 PolarHBondContact O-N 3.33Å; A59-F61 PolarHBondContact O-N 3.44Å; A59-S62 PolarHBondContact O-N 3.29Å; A59-S62 PolarHBondContact O-OG 3.17Å; A59-M65 HydrophobicContact CB-SD 3.67Å |
| 60 | M | 86.4 | Confident | 86.2 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.5 | -41.2 | 174.3 | -67.5 | -179.2 | 82.6 | 0 | 0 | 112.1 | M56 L57 M65 V67 I77 | M56-M60 HydrophobicContact CE-SD 4.02Å; M56-M60 HydrophobicContact CG-SD 4.49Å; M56-M60 WeakPolarHBondContact O-CG 3.44Å; M56-M60 PolarHBondContact O-N 2.75Å; L57-M60 HydrophobicContact CD2-SD 4.31Å; L57-M60 WeakPolarHBondContact O-CB 3.49Å; L57-M60 PolarHBondContact O-N 3.33Å; L57-M60 VanDerWaalsContact O-N 3.15Å; M60-M65 HydrophobicContact CG-CE 3.98Å; M60-M65 HydrophobicContact CG-SD 4.09Å; M60-V67 HydrophobicContact CB-CG1 4.03Å; M60-V67 HydrophobicContact CE-CG1 3.9Å; M60-I77 HydrophobicContact CE-CG1 4.37Å |
| 61 | F | 84.9 | Confident | 86.1 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 2.3 | -176 | -73.1 | -77.2 | 0 | 0 | 0 | 114.5 | F24 V34 L36 M47 L50 T51 L57 K58 A59 I75 | F24-F61 HydrophobicContact CE1-CD1 4.45Å; F24-F61 HydrophobicContact CZ-CD1 4.46Å; V34-F61 HydrophobicContact CG1-CD1 4.41Å; V34-F61 HydrophobicContact CG1-CE1 3.47Å; V34-F61 VanDerWaalsContact CG1-CE1 3.47Å; V34-F61 HydrophobicContact CG1-CZ 3.8Å; L36-F61 HydrophobicContact CD2-CE2 4.02Å; L36-F61 HydrophobicContact CD2-CZ 3.69Å; M47-F61 HydrophobicContact CE-CB 3.82Å; M47-F61 HydrophobicContact CE-CD1 4.16Å; M47-F61 HydrophobicContact CE-CG 4.42Å; M47-F61 WeakPolarHBondContact CE-O 3.45Å; M47-F61 HydrophobicContact SD-CB 4.34Å; M47-F61 HydrophobicContact SD-CD1 3.7Å; M47-F61 HydrophobicContact SD-CE1 4.46Å; M47-F61 HydrophobicContact SD-CG 4.33Å; L50-F61 HydrophobicContact CB-CD2 4.12Å; L50-F61 HydrophobicContact CB-CG 4.41Å; L50-F61 HydrophobicContact CD1-CD1 4.21Å; L50-F61 HydrophobicContact CD1-CD2 3.77Å; L50-F61 HydrophobicContact CD1-CE1 4.07Å; L50-F61 HydrophobicContact CD1-CE2 3.68Å; L50-F61 HydrophobicContact CD1-CG 4.08Å; L50-F61 HydrophobicContact CD1-CZ 3.84Å; L50-F61 HydrophobicContact CG-CD2 4.39Å; T51-F61 HydrophobicContact CG2-CB 4.27Å; L57-F61 WeakPolarHBondContact O-CD2 3.44Å; L57-F61 PolarHBondContact O-N 3.28Å; K58-F61 CarbonylContact O-C 3.57Å; K58-F61 PolarHBondContact O-N 3.28Å; A59-F61 PolarHBondContact O-N 3.44Å; F61-I75 HydrophobicContact CD1-CD1 4.42Å; F61-I75 HydrophobicContact CE1-CD1 3.26Å; F61-I75 HydrophobicContact CZ-CD1 3.55Å; F61-I75 HydrophobicContact CZ-CG2 4.18Å |
| 62 | S | 78.2 | Confident | 85.9 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -3.1 | 175.6 | 69.3 | 0 | 0 | 0 | 0 | 114 | K58 A59 R64 | K58-S62 WeakPolarHBondContact O-CB 3.18Å; K58-S62 PolarHBondContact O-N 3.05Å; A59-S62 PolarHBondContact O-N 3.29Å; A59-S62 PolarHBondContact O-OG 3.17Å; S62-R64 PolarHBondContact O-N 3.28Å; S62-R64 WeakPolarHBondContact OG-CB 3.5Å; S62-R64 WeakPolarHBondContact OG-CD 3.25Å; S62-R64 WeakPolarHBondContact OG-CG 3.46Å |
| 63 | G | 73.1 | Confident | 85.8 | Confident | 23 Ų | 23 | 61.7 Ų | 61.7 | 24% | 0.237 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 2.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S23 F24 | S23-G63 PolarHBondContact OG-O 3.17Å; S23-G63 VanDerWaalsContact OG-O 3.07Å; F24-G63 WeakPolarHBondContact O-CA 3.32Å |
| 64 | R | 70.8 | Confident | 86 | Confident | 226 Ų | 226 | 60 Ų | 60 | 85% | 0.853 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -87.3 | -11.7 | -179.3 | -61.9 | 178.6 | -176.8 | -172.9 | 0.2 | 114 | S62 | S62-R64 PolarHBondContact O-N 3.28Å; S62-R64 WeakPolarHBondContact OG-CB 3.5Å; S62-R64 WeakPolarHBondContact OG-CD 3.25Å; S62-R64 WeakPolarHBondContact OG-CG 3.46Å |
| 65 | M | 77.6 | Confident | 86.1 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 35% | 0.345 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -124.8 | 147.9 | 177 | -72.3 | 175.2 | 66.3 | 0 | 0 | 109.6 | M56 A59 M60 | M56-M65 HydrophobicContact CE-CE 4.19Å; A59-M65 HydrophobicContact CB-SD 3.67Å; M60-M65 HydrophobicContact CG-CE 3.98Å; M60-M65 HydrophobicContact CG-SD 4.09Å |
| 66 | E | 78.3 | Confident | 86.1 | Confident | 147 Ų | 147 | 55.4 Ų | 55.4 | 69% | 0.687 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 137.6 | 170.2 | -66.6 | -174 | 164.2 | 0 | 0 | 110 | T21 | T21-E66 HydrophobicContact CG2-CB 3.7Å; T21-E66 HydrophobicContact CG2-CG 4.18Å; T21-E66 WeakPolarHBondContact CG2-OE2 3.41Å |
| 67 | V | 85.8 | Confident | 86.3 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.8 | 175.9 | -62.8 | 0 | 0 | 0 | 0 | 109.8 | T22 F24 M60 I75 | T22-V67 PolarHBondContact N-O 3.3Å; T22-V67 VanDerWaalsContact N-O 3.07Å; T22-V67 PolarHBondContact O-N 2.95Å; F24-V67 HydrophobicContact CB-CG2 4.24Å; M60-V67 HydrophobicContact CB-CG1 4.03Å; M60-V67 HydrophobicContact CE-CG1 3.9Å; V67-I75 HydrophobicContact CB-CG2 4.1Å; V67-I75 HydrophobicContact CG1-CG2 4.49Å |
| 68 | L | 89.9 | Confident | 86.4 | Confident | 80 Ų | 80 | 61.4 Ų | 61.4 | 42% | 0.419 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 126.4 | 173.5 | -68.5 | 174.9 | 0 | 0 | 0 | 108.6 | T21 I75 L76 | T21-L68 WeakPolarHBondContact OG1-CD2 3.14Å; L68-I75 WeakPolarHBondContact O-CA 3.49Å; L68-L76 HydrophobicContact CB-CB 4.19Å; L68-L76 PolarHBondContact O-N 3.19Å |
| 69 | T | 90.6 | Very high | 86.6 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.8 | 176.2 | -47.6 | 0 | 0 | 0 | 0 | 109.3 | R20 W74 | R20-T69 PolarHBondContact N-O 2.89Å; R20-T69 PolarHBondContact O-N 3.17Å; T69-W74 VanDerWaalsContact CA-O 3.28Å; T69-W74 WeakPolarHBondContact CA-O 3.47Å; T69-W74 WeakPolarHBondContact CG2-O 3.48Å |
| 70 | D | 90.9 | Very high | 86.9 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 17% | 0.171 | 34% | 0.336 | C | S | . | . | trans | -82.1 | -179.1 | 173.8 | 73.4 | 8.9 | 0 | 0 | 0 | 112.6 | E72 G73 W74 L76 | D70-E72 PolarHBondContact O-N 3.12Å; D70-E72 WeakPolarHBondContact OD1-CA 3.21Å; D70-E72 PolarHBondContact OD1-N 2.99Å; D70-G73 PolarHBondContact O-N 2.72Å; D70-G73 PolarHBondContact OD1-N 3.26Å; D70-W74 PolarHBondContact N-O 3.45Å; D70-W74 PolarHBondContact OD1-N 3.13Å; D70-W74 WeakPolarHBondContact OD2-CB 3.3Å; D70-W74 VanDerWaalsContact OD2-CD1 3.26Å; D70-L76 HydrophobicContact CB-CD1 4.47Å; D70-L76 HydrophobicContact CB-CD2 4.4Å | ||
| 71 | S | 88.5 | Confident | 87.3 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 70% | 0.699 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.8 | 178.3 | 51.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 72 | E | 86.5 | Confident | 87.8 | Confident | 132 Ų | 132 | 67.8 Ų | 67.8 | 62% | 0.617 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -1.5 | -179.5 | -61.5 | -170 | 162.9 | 0 | 0 | 112.9 | K35 D70 W74 | K35-E72 PolarHBondContact NZ-O 2.92Å; D70-E72 PolarHBondContact O-N 3.12Å; D70-E72 WeakPolarHBondContact OD1-CA 3.21Å; D70-E72 PolarHBondContact OD1-N 2.99Å; E72-W74 PolarHBondContact OE2-NE1 2.92Å |
| 73 | G | 87.4 | Confident | 88.7 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | trans | 86.1 | 18.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D70 | D70-G73 PolarHBondContact O-N 2.72Å; D70-G73 PolarHBondContact OD1-N 3.26Å | ||
| 74 | W | 91.9 | Very high | 89.9 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 128.6 | 170.8 | -64.9 | 95.2 | 0 | 0 | 0 | 110.7 | K35 L36 N37 L42 Y44 T69 D70 E72 L76 | K35-W74 HydrophobicContact CB-CD2 3.92Å; K35-W74 HydrophobicContact CB-CE3 3.58Å; K35-W74 HydrophobicContact CB-CG 4.49Å; K35-W74 HydrophobicContact CB-CH2 4.44Å; K35-W74 HydrophobicContact CB-CZ3 3.86Å; K35-W74 HydrophobicContact CD-CD2 4.3Å; K35-W74 HydrophobicContact CD-CZ2 4.32Å; L36-W74 VanDerWaalsContact C-CE3 3.46Å; L36-W74 VanDerWaalsContact O-CZ3 3.29Å; L36-W74 WeakPolarHBondContact O-CZ3 3.37Å; N37-W74 HydrophobicContact CB-CB 4.03Å; N37-W74 HydrophobicContact CB-CD2 4.47Å; N37-W74 HydrophobicContact CB-CE3 4.15Å; N37-W74 HydrophobicContact CB-CG 4.44Å; L42-W74 HydrophobicContact CB-CH2 3.62Å; L42-W74 HydrophobicContact CB-CZ2 4.4Å; L42-W74 HydrophobicContact CB-CZ3 3.76Å; L42-W74 HydrophobicContact CD1-CH2 4Å; L42-W74 HydrophobicContact CD1-CZ2 3.94Å; L42-W74 HydrophobicContact CD2-CD2 4.09Å; L42-W74 HydrophobicContact CD2-CE3 3.87Å; L42-W74 HydrophobicContact CD2-CH2 3.94Å; L42-W74 HydrophobicContact CD2-CZ2 4.12Å; L42-W74 HydrophobicContact CD2-CZ3 3.81Å; L42-W74 HydrophobicContact CG-CH2 4.05Å; L42-W74 HydrophobicContact CG-CZ2 4.38Å; L42-W74 HydrophobicContact CG-CZ3 4.26Å; Y44-W74 HydrophobicContact CD2-CH2 4.28Å; Y44-W74 HydrophobicContact CE1-CH2 4.39Å; Y44-W74 AromaticContact CE2-CH2 3.47Å; Y44-W74 HydrophobicContact CE2-CH2 3.47Å; Y44-W74 VanDerWaalsContact CE2-CH2 3.47Å; Y44-W74 HydrophobicContact CE2-CZ2 4.25Å; Y44-W74 HydrophobicContact CE2-CZ3 4.3Å; Y44-W74 AromaticContact CZ-CH2 3.53Å; Y44-W74 AromaticContact CZ-CZ2 3.96Å; Y44-W74 WeakPolarHBondContact OH-CH2 3.36Å; Y44-W74 WeakPolarHBondContact OH-CZ2 3.46Å; T69-W74 VanDerWaalsContact CA-O 3.28Å; T69-W74 WeakPolarHBondContact CA-O 3.47Å; T69-W74 WeakPolarHBondContact CG2-O 3.48Å; D70-W74 PolarHBondContact N-O 3.45Å; D70-W74 PolarHBondContact OD1-N 3.13Å; D70-W74 WeakPolarHBondContact OD2-CB 3.3Å; D70-W74 VanDerWaalsContact OD2-CD1 3.26Å; E72-W74 PolarHBondContact OE2-NE1 2.92Å; W74-L76 HydrophobicContact CB-CD2 4.2Å; W74-L76 PolarHBondContact O-N 3.3Å |
| 75 | I | 92.8 | Very high | 91.1 | Very high | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 120.6 | 171.1 | -65.8 | 167.6 | 0 | 0 | 0 | 108 | F24 V34 K35 L36 N37 F61 V67 L68 | F24-I75 HydrophobicContact CD2-CD1 4.17Å; F24-I75 HydrophobicContact CE2-CD1 4.15Å; V34-I75 HydrophobicContact CG1-CD1 4.06Å; K35-I75 PolarHBondContact O-N 2.93Å; L36-I75 HydrophobicContact CD2-CB 4.3Å; L36-I75 HydrophobicContact CD2-CG2 4.31Å; N37-I75 PolarHBondContact N-O 3.07Å; F61-I75 HydrophobicContact CD1-CD1 4.42Å; F61-I75 HydrophobicContact CE1-CD1 3.26Å; F61-I75 HydrophobicContact CZ-CD1 3.55Å; F61-I75 HydrophobicContact CZ-CG2 4.18Å; V67-I75 HydrophobicContact CB-CG2 4.1Å; V67-I75 HydrophobicContact CG1-CG2 4.49Å; L68-I75 WeakPolarHBondContact O-CA 3.49Å |
| 76 | L | 93.7 | Very high | 92.1 | Very high | 46 Ų | 46 | 53.3 Ų | 53.3 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.6 | -173 | -52.5 | -175.7 | 0 | 0 | 0 | 110.3 | T19 N37 L68 D70 W74 | T19-L76 HydrophobicContact CG2-CD1 3.57Å; N37-L76 HydrophobicContact CB-CD2 3.76Å; N37-L76 WeakPolarHBondContact O-CA 3.38Å; L68-L76 HydrophobicContact CB-CB 4.19Å; L68-L76 PolarHBondContact O-N 3.19Å; D70-L76 HydrophobicContact CB-CD1 4.47Å; D70-L76 HydrophobicContact CB-CD2 4.4Å; W74-L76 HydrophobicContact CB-CD2 4.2Å; W74-L76 PolarHBondContact O-N 3.3Å |
| 77 | I | 94.3 | Very high | 93 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.6 | 172.9 | -56.7 | -177.9 | 0 | 0 | 0 | 107.9 | L36 N37 V38 G39 L57 M60 R79 F84 Y115 | L36-I77 HydrophobicContact CD2-CD1 3.91Å; N37-I77 PolarHBondContact O-N 3.39Å; V38-I77 WeakPolarHBondContact CA-O 3.33Å; V38-I77 HydrophobicContact CG1-CB 4.3Å; V38-I77 HydrophobicContact CG1-CG2 4.29Å; V38-I77 HydrophobicContact CG2-CB 4.2Å; V38-I77 HydrophobicContact CG2-CD1 4.17Å; G39-I77 PolarHBondContact N-O 2.85Å; L57-I77 HydrophobicContact CD2-CD1 4.05Å; M60-I77 HydrophobicContact CE-CG1 4.37Å; I77-R79 HydrophobicContact CG2-CB 3.97Å; I77-R79 HydrophobicContact CG2-CG 3.81Å; I77-R79 PolarHBondContact O-N 2.96Å; I77-F84 HydrophobicContact CD1-CE2 4.48Å; I77-F84 HydrophobicContact CD1-CZ 4.46Å; I77-Y115 HydrophobicContact CD1-CE1 4.33Å; I77-Y115 HydrophobicContact CG2-CE1 4.12Å |
| 78 | D | 94.7 | Very high | 93.5 | Very high | 154 Ų | 154 | 46.3 Ų | 46.3 | 82% | 0.824 | 26% | 0.26 | S | S | * | . | trans | -81.4 | 66.3 | 178.8 | -170.7 | 22.3 | 0 | 0 | 0 | 111.1 | ||||
| 79 | R | 95 | Very high | 93.8 | Very high | 74 Ų | 74 | 45.6 Ų | 45.6 | 28% | 0.279 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -142.2 | 161.4 | 178.1 | -68.8 | -58.6 | -63.2 | 176.7 | -1.6 | 110.8 | V38 G39 I77 G81 E111 Y114 Y115 | V38-R79 CarbonylContact C-O 3.6Å; V38-R79 VanDerWaalsContact C-O 3.22Å; V38-R79 HydrophobicContact CG1-CB 3.99Å; G39-R79 WeakPolarHBondContact CA-O 3.47Å; G39-R79 PolarHBondContact N-O 3Å; I77-R79 HydrophobicContact CG2-CB 3.97Å; I77-R79 HydrophobicContact CG2-CG 3.81Å; I77-R79 PolarHBondContact O-N 2.96Å; R79-G81 PolarHBondContact O-N 3.25Å; R79-E111 IonicContact CZ-OE1 3.44Å; R79-E111 IonicContact CZ-OE2 3.65Å; R79-E111 IonicContact NE-OE1 3.47Å; R79-E111 PolarHBondContact NE-OE1 3.29Å; R79-E111 IonicContact NE-OE2 3Å; R79-E111 PolarHBondContact NE-OE2 3.15Å; R79-E111 IonicContact NH2-OE1 3.29Å; R79-E111 PolarHBondContact NH2-OE1 3.18Å; R79-E111 IonicContact NH2-OE2 3.63Å; R79-E111 PolarHBondContact NH2-OE2 3.17Å; R79-Y114 HydrophobicContact CG-CD1 3.71Å; R79-Y114 HydrophobicContact CG-CE1 3.35Å; R79-Y114 HydrophobicContact CG-CE2 4.25Å; R79-Y114 HydrophobicContact CG-CG 4.3Å; R79-Y115 WeakPolarHBondContact CB-OH 3.4Å |
| 80 | C | 94 | Very high | 94.1 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 51% | 0.507 | 25% | 0.253 | S | S | . | . | trans | -69.6 | 122 | 174.7 | -176 | 0 | 0 | 0 | 0 | 110.7 | K82 | C80-K82 VanDerWaalsContact C-N 3.27Å; C80-K82 PolarHBondContact O-N 3.28Å | ||
| 81 | G | 94.7 | Very high | 94.3 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -68.3 | -18.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | V38 Y43 R79 H83 F84 | V38-G81 WeakPolarHBondContact O-CA 3.22Å; V38-G81 PolarHBondContact O-N 3.22Å; Y43-G81 PolarHBondContact OH-O 3.44Å; R79-G81 PolarHBondContact O-N 3.25Å; G81-H83 VanDerWaalsContact C-N 3.26Å; G81-H83 PolarHBondContact O-N 2.99Å; G81-F84 WeakPolarHBondContact O-CB 3.5Å; G81-F84 PolarHBondContact O-N 2.69Å |
| 82 | K | 95.8 | Very high | 94.6 | Very high | 110 Ų | 110 | 43.5 Ų | 43.5 | 48% | 0.478 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -43.6 | -47.8 | -170.4 | -178.7 | -177 | 173.9 | -171.4 | 0 | 113.8 | C80 E104 E107 | C80-K82 VanDerWaalsContact C-N 3.27Å; C80-K82 PolarHBondContact O-N 3.28Å; K82-E104 IonicContact NZ-OE1 3.74Å; K82-E107 IonicContact NZ-OE1 3.63Å; K82-E107 IonicContact NZ-OE2 3.39Å; K82-E107 PolarHBondContact NZ-OE2 3.41Å |
| 83 | H | 97.1 | Very high | 95 | Very high | 15 Ų | 15 | 43 Ų | 43 | 7% | 0.069 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -101.6 | -0.5 | -175.1 | -67.9 | -62.4 | 0 | 0 | 0 | 114.1 | G81 G85 T86 I87 E107 L108 E111 | G81-H83 VanDerWaalsContact C-N 3.26Å; G81-H83 PolarHBondContact O-N 2.99Å; H83-G85 VanDerWaalsContact C-N 3.26Å; H83-G85 PolarHBondContact O-N 3.03Å; H83-T86 VanDerWaalsContact O-CB 3.32Å; H83-T86 WeakPolarHBondContact O-CB 3.33Å; H83-T86 PolarHBondContact O-N 3.27Å; H83-I87 PolarHBondContact O-N 3.29Å; H83-I87 VanDerWaalsContact O-N 3.17Å; H83-E107 IonicContact CD2-OE2 2.69Å; H83-E107 IonicContact CE1-OE2 3.75Å; H83-E107 WeakPolarHBondContact NE2-CB 3.44Å; H83-E107 IonicContact NE2-OE2 2.75Å; H83-E107 PolarHBondContact NE2-OE2 2.88Å; H83-L108 HydrophobicContact CB-CD1 3.88Å; H83-E111 HydrophobicContact CB-CG 4.33Å |
| 84 | F | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.5 | -29.5 | -174.6 | -169 | -100.6 | 0 | 0 | 0 | 112.7 | L36 V38 Y43 L57 I77 G81 T86 I87 L88 Y115 | L36-F84 HydrophobicContact CB-CE1 4.5Å; L36-F84 HydrophobicContact CD1-CE1 3.86Å; L36-F84 HydrophobicContact CD1-CZ 3.99Å; V38-F84 HydrophobicContact CB-CG 4.32Å; V38-F84 HydrophobicContact CG1-CB 4.3Å; V38-F84 HydrophobicContact CG1-CD2 4.15Å; V38-F84 HydrophobicContact CG1-CG 4.19Å; V38-F84 HydrophobicContact CG2-CD1 3.72Å; V38-F84 HydrophobicContact CG2-CD2 4.04Å; V38-F84 HydrophobicContact CG2-CE1 3.77Å; V38-F84 HydrophobicContact CG2-CE2 4.1Å; V38-F84 HydrophobicContact CG2-CG 3.84Å; V38-F84 HydrophobicContact CG2-CZ 3.96Å; Y43-F84 HydrophobicContact CD1-CD1 4.08Å; Y43-F84 HydrophobicContact CD2-CB 4.45Å; Y43-F84 AromaticContact CD2-CD1 3.39Å; Y43-F84 HydrophobicContact CD2-CD1 3.39Å; Y43-F84 HydrophobicContact CD2-CE1 4.02Å; Y43-F84 HydrophobicContact CD2-CG 4.28Å; Y43-F84 HydrophobicContact CE1-CD1 4.29Å; Y43-F84 HydrophobicContact CE2-CB 3.79Å; Y43-F84 AromaticContact CE2-CD1 3.61Å; Y43-F84 HydrophobicContact CE2-CD1 3.61Å; Y43-F84 HydrophobicContact CE2-CG 4.1Å; Y43-F84 AromaticContact CG-CD1 3.64Å; Y43-F84 HydrophobicContact CG-CD1 3.64Å; Y43-F84 HydrophobicContact CG-CE1 4.08Å; L57-F84 HydrophobicContact CD1-CE2 4.23Å; L57-F84 HydrophobicContact CD1-CZ 4.35Å; L57-F84 HydrophobicContact CD2-CE2 4.45Å; L57-F84 HydrophobicContact CD2-CZ 4.49Å; I77-F84 HydrophobicContact CD1-CE2 4.48Å; I77-F84 HydrophobicContact CD1-CZ 4.46Å; G81-F84 WeakPolarHBondContact O-CB 3.5Å; G81-F84 PolarHBondContact O-N 2.69Å; F84-T86 VanDerWaalsContact C-N 3.31Å; F84-T86 PolarHBondContact O-N 2.93Å; F84-I87 WeakPolarHBondContact O-CB 3.29Å; F84-I87 PolarHBondContact O-N 3.42Å; F84-L88 HydrophobicContact CD1-CD1 3.99Å; F84-L88 HydrophobicContact CD1-CG 4.06Å; F84-L88 HydrophobicContact CE1-CD1 3.77Å; F84-L88 HydrophobicContact CE1-CD2 4.01Å; F84-L88 HydrophobicContact CE1-CG 3.78Å; F84-L88 HydrophobicContact CZ-CD2 4.27Å; F84-L88 HydrophobicContact CZ-CG 4.39Å; F84-L88 PolarHBondContact O-N 3.23Å; F84-Y115 HydrophobicContact CD2-CE1 4.35Å; F84-Y115 AromaticContact CD2-CE2 3.72Å; F84-Y115 HydrophobicContact CD2-CE2 3.72Å; F84-Y115 AromaticContact CD2-CZ 3.61Å; F84-Y115 AromaticContact CE2-CE1 3.88Å; F84-Y115 HydrophobicContact CE2-CE1 3.88Å; F84-Y115 HydrophobicContact CE2-CE2 4.01Å; F84-Y115 AromaticContact CE2-CZ 3.61Å |
| 85 | G | 96.9 | Very high | 95.3 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.1 | -41.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H83 L88 N89 | H83-G85 VanDerWaalsContact C-N 3.26Å; H83-G85 PolarHBondContact O-N 3.03Å; G85-L88 PolarHBondContact O-N 2.92Å; G85-N89 PolarHBondContact O-N 3.22Å |
| 86 | T | 97 | Very high | 95.4 | Very high | 33 Ų | 33 | 45.6 Ų | 45.6 | 20% | 0.202 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 176.4 | -49.1 | 0 | 0 | 0 | 0 | 111.2 | H83 F84 L88 N89 Y90 V96 L108 | H83-T86 VanDerWaalsContact O-CB 3.32Å; H83-T86 WeakPolarHBondContact O-CB 3.33Å; H83-T86 PolarHBondContact O-N 3.27Å; F84-T86 VanDerWaalsContact C-N 3.31Å; F84-T86 PolarHBondContact O-N 2.93Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 3.07Å; T86-N89 PolarHBondContact O-N 3.28Å; T86-Y90 PolarHBondContact O-N 2.99Å; T86-V96 HydrophobicContact CG2-CB 4.38Å; T86-V96 HydrophobicContact CG2-CG1 3.81Å; T86-V96 HydrophobicContact CG2-CG2 3.68Å; T86-L108 HydrophobicContact CG2-CD1 3.91Å; T86-L108 HydrophobicContact CG2-CD2 3.93Å |
| 87 | I | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.8 | -48.3 | 172.4 | -59 | -59 | 0 | 0 | 0 | 110.5 | L57 H83 F84 N89 Y90 L91 L108 E111 A112 Y115 V117 L120 | L57-I87 HydrophobicContact CD1-CG2 4.46Å; H83-I87 PolarHBondContact O-N 3.29Å; H83-I87 VanDerWaalsContact O-N 3.17Å; F84-I87 WeakPolarHBondContact O-CB 3.29Å; F84-I87 PolarHBondContact O-N 3.42Å; I87-N89 PolarHBondContact O-N 2.96Å; I87-Y90 PolarHBondContact O-N 3.05Å; I87-L91 HydrophobicContact CG2-CD1 4.36Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.39Å; I87-L108 HydrophobicContact CD1-CD1 3.99Å; I87-E111 HydrophobicContact CD1-CB 4.38Å; I87-E111 HydrophobicContact CG1-CB 4.48Å; I87-A112 HydrophobicContact CD1-CB 4.25Å; I87-Y115 HydrophobicContact CG1-CD2 4.21Å; I87-Y115 HydrophobicContact CG2-CD2 4.31Å; I87-V117 HydrophobicContact CG2-CG2 4.16Å; I87-L120 HydrophobicContact CD1-CD2 3.59Å |
| 88 | L | 96.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -41 | 178.5 | -72.8 | 179.7 | 0 | 0 | 0 | 112.6 | Y43 T45 L50 F84 G85 T86 L91 R92 | Y43-L88 HydrophobicContact CD1-CD1 3.87Å; Y43-L88 HydrophobicContact CG-CD1 4.15Å; T45-L88 HydrophobicContact CG2-CD2 4.11Å; L50-L88 HydrophobicContact CD2-CD2 4.09Å; F84-L88 HydrophobicContact CD1-CD1 3.99Å; F84-L88 HydrophobicContact CD1-CG 4.06Å; F84-L88 HydrophobicContact CE1-CD1 3.77Å; F84-L88 HydrophobicContact CE1-CD2 4.01Å; F84-L88 HydrophobicContact CE1-CG 3.78Å; F84-L88 HydrophobicContact CZ-CD2 4.27Å; F84-L88 HydrophobicContact CZ-CG 4.39Å; F84-L88 PolarHBondContact O-N 3.23Å; G85-L88 PolarHBondContact O-N 2.92Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 3.07Å; L88-L91 PolarHBondContact O-N 2.72Å; L88-R92 VanDerWaalsContact O-CG 3.29Å; L88-R92 WeakPolarHBondContact O-CG 3.35Å; L88-R92 PolarHBondContact O-N 3.26Å |
| 89 | N | 96.9 | Very high | 95.2 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 177.5 | -70.2 | -15 | 0 | 0 | 0 | 111.2 | G85 T86 I87 L91 R92 D93 V96 | G85-N89 PolarHBondContact O-N 3.22Å; T86-N89 PolarHBondContact O-N 3.28Å; I87-N89 PolarHBondContact O-N 2.96Å; N89-L91 VanDerWaalsContact C-N 3.31Å; N89-L91 PolarHBondContact O-N 3.45Å; N89-R92 WeakPolarHBondContact O-CB 3.44Å; N89-R92 PolarHBondContact O-N 3.32Å; N89-R92 PolarHBondContact OD1-NH1 3.46Å; N89-D93 PolarHBondContact O-N 3.27Å; N89-V96 HydrophobicContact CB-CG2 4.25Å |
| 90 | Y | 97.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.9 | -41 | 173.7 | -172.1 | -85.4 | 0 | 0 | 0 | 112.1 | T86 I87 R92 G94 V96 V117 G119 L120 | T86-Y90 PolarHBondContact O-N 2.99Å; I87-Y90 PolarHBondContact O-N 3.05Å; Y90-R92 VanDerWaalsContact C-N 3.28Å; Y90-R92 PolarHBondContact O-N 2.95Å; Y90-G94 WeakPolarHBondContact O-CA 3.35Å; Y90-G94 PolarHBondContact O-N 3Å; Y90-V96 HydrophobicContact CD2-CB 4.36Å; Y90-V96 HydrophobicContact CD2-CG1 3.98Å; Y90-V117 HydrophobicContact CD1-CG1 3.52Å; Y90-V117 HydrophobicContact CE1-CG1 3.66Å; Y90-V117 HydrophobicContact CG-CG1 4.49Å; Y90-G119 WeakPolarHBondContact OH-CA 3.45Å; Y90-L120 HydrophobicContact CD1-CB 4.1Å; Y90-L120 HydrophobicContact CD2-CB 3.94Å; Y90-L120 HydrophobicContact CD2-CD1 3.82Å; Y90-L120 HydrophobicContact CD2-CD2 4.33Å; Y90-L120 HydrophobicContact CD2-CG 4.25Å; Y90-L120 HydrophobicContact CE1-CB 4.08Å; Y90-L120 HydrophobicContact CE2-CB 3.88Å; Y90-L120 HydrophobicContact CE2-CD1 4.15Å; Y90-L120 HydrophobicContact CG-CB 4.04Å; Y90-L120 HydrophobicContact CG-CD1 4.41Å; Y90-L120 HydrophobicContact CG-CD2 4.1Å; Y90-L120 HydrophobicContact CG-CG 4.42Å; Y90-L120 PolarHBondContact OH-N 2.98Å |
| 91 | L | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -30.1 | 175.5 | -66.3 | 177.8 | 0 | 0 | 0 | 112.8 | T49 K52 Q53 T55 L57 I87 L88 N89 V117 | T49-L91 HydrophobicContact CG2-CB 3.78Å; K52-L91 WeakPolarHBondContact CD-O 3.45Å; Q53-L91 HydrophobicContact CB-CD2 4.13Å; Q53-L91 HydrophobicContact CG-CD2 4.21Å; T55-L91 HydrophobicContact CG2-CD2 4.05Å; L57-L91 HydrophobicContact CD1-CD1 3.84Å; I87-L91 HydrophobicContact CG2-CD1 4.36Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.39Å; L88-L91 PolarHBondContact O-N 2.72Å; N89-L91 VanDerWaalsContact C-N 3.31Å; N89-L91 PolarHBondContact O-N 3.45Å; L91-V117 HydrophobicContact CD2-CG1 4.49Å; L91-V117 HydrophobicContact CD2-CG2 4.49Å |
| 92 | R | 94.8 | Very high | 94 | Very high | 97 Ų | 97 | 55.3 Ų | 55.3 | 37% | 0.366 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74.1 | -51.6 | 176.7 | -71.3 | 167.1 | -176 | 164.1 | -0.2 | 111.4 | T49 K52 L88 N89 Y90 | T49-R92 HydrophobicContact CG2-CG 3.67Å; K52-R92 PolarHBondContact NZ-O 3.32Å; L88-R92 VanDerWaalsContact O-CG 3.29Å; L88-R92 WeakPolarHBondContact O-CG 3.35Å; L88-R92 PolarHBondContact O-N 3.26Å; N89-R92 WeakPolarHBondContact O-CB 3.44Å; N89-R92 PolarHBondContact O-N 3.32Å; N89-R92 PolarHBondContact OD1-NH1 3.46Å; Y90-R92 VanDerWaalsContact C-N 3.28Å; Y90-R92 PolarHBondContact O-N 2.95Å |
| 93 | D | 94.7 | Very high | 93.8 | Very high | 122 Ų | 122 | 58.3 Ų | 58.3 | 65% | 0.652 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -102.1 | -20.8 | -164 | -56.8 | -33.1 | 0 | 0 | 0 | 112.7 | N89 A95 | N89-D93 PolarHBondContact O-N 3.27Å; D93-A95 VanDerWaalsContact C-N 3.25Å |
| 94 | G | 91.8 | Very high | 93.7 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 82.6 | -1.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y90 | Y90-G94 WeakPolarHBondContact O-CA 3.35Å; Y90-G94 PolarHBondContact O-N 3Å |
| 95 | A | 92.4 | Very high | 93.5 | Very high | 58 Ų | 58 | 61.4 Ų | 61.4 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | trans | -152.8 | 157.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | D93 | D93-A95 VanDerWaalsContact C-N 3.25Š| ||
| 96 | V | 95.1 | Very high | 93.4 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 13% | 0.133 | 33% | 0.333 | C | S | . | . | trans | -150.5 | 142.3 | 176.2 | 73 | 0 | 0 | 0 | 0 | 109.7 | T86 N89 Y90 L98 L120 | T86-V96 HydrophobicContact CG2-CB 4.38Å; T86-V96 HydrophobicContact CG2-CG1 3.81Å; T86-V96 HydrophobicContact CG2-CG2 3.68Å; N89-V96 HydrophobicContact CB-CG2 4.25Å; Y90-V96 HydrophobicContact CD2-CB 4.36Å; Y90-V96 HydrophobicContact CD2-CG1 3.98Å; V96-L98 HydrophobicContact CG1-CD2 4.47Å; V96-L98 PolarHBondContact O-N 3.28Å; V96-L120 HydrophobicContact CG1-CD1 3.75Å | ||
| 97 | P | 92.9 | Very high | 93.4 | Very high | 116 Ų | 116 | 65.4 Ų | 65.4 | 75% | 0.753 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 127.3 | 169.3 | 25.7 | -34.1 | 0 | 0 | 0 | 109.7 | ||
| 98 | L | 92.9 | Very high | 93.4 | Very high | 53 Ų | 53 | 65.4 Ų | 65.4 | 28% | 0.277 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 150.3 | 177.2 | -61.5 | -177.6 | 0 | 0 | 0 | 110.9 | V96 L108 L120 E123 A127 | V96-L98 HydrophobicContact CG1-CD2 4.47Å; V96-L98 PolarHBondContact O-N 3.28Å; L98-L108 HydrophobicContact CD2-CD2 4.14Å; L98-L120 HydrophobicContact CD2-CD1 3.85Å; L98-E123 HydrophobicContact CD1-CB 4.38Å; L98-A127 HydrophobicContact CD1-CB 3.65Å |
| 99 | P | 92.3 | Very high | 93.4 | Very high | 29 Ų | 29 | 66.1 Ų | 66.1 | 19% | 0.188 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 145.6 | 173.7 | -22 | 32.8 | 0 | 0 | 0 | 112.7 | E104 T105 L108 | P99-E104 HydrophobicContact CB-CB 3.58Å; P99-E104 HydrophobicContact CG-CB 4.04Å; P99-T105 PolarHBondContact O-OG1 3.04Å; P99-L108 HydrophobicContact CG-CD2 4.17Å |
| 100 | E | 83.7 | Confident | 93.5 | Very high | 203 Ų | 203 | 65.2 Ų | 65.2 | 95% | 0.949 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -73.5 | -32.2 | 176.4 | -63.9 | -176.7 | 171.3 | 0 | 0 | 112 | ||
| 101 | S | 88.8 | Confident | 93.5 | Very high | 53 Ų | 53 | 65.1 Ų | 65.1 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -77 | 127.7 | -179.7 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | R103 E104 T105 | S101-R103 VanDerWaalsContact C-N 3.25Å; S101-R103 PolarHBondContact O-N 3.46Å; S101-R103 PolarHBondContact OG-N 3.09Å; S101-E104 PolarHBondContact O-N 3.39Å; S101-E104 VanDerWaalsContact O-N 3.08Å; S101-T105 PolarHBondContact O-N 3.32Å; S101-T105 PolarHBondContact O-OG1 3.4Å |
| 102 | R | 87.4 | Confident | 93.6 | Very high | 112 Ų | 112 | 65.1 Ų | 65.1 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -51.7 | -45.5 | 174.3 | -176.3 | -178 | 175.3 | 87.5 | 14.6 | 112 | E104 T105 E106 L128 | R102-E104 VanDerWaalsContact C-N 3.33Å; R102-E104 PolarHBondContact O-N 2.85Å; R102-T105 PolarHBondContact O-N 3.26Å; R102-E106 IonicContact CZ-OE1 3.91Å; R102-E106 IonicContact NE-OE1 3.72Å; R102-E106 PolarHBondContact NE-OE1 3.46Å; R102-E106 IonicContact NH2-OE1 3.78Å; R102-E106 PolarHBondContact NH2-OE1 3.01Å; R102-E106 WeakPolarHBondContact O-CG 3.21Å; R102-E106 PolarHBondContact O-N 2.96Å; R102-L128 HydrophobicContact CG-CD2 3.72Å; R102-L128 PolarHBondContact NH1-O 3.49Å |
| 103 | R | 91.4 | Very high | 93.7 | Very high | 173 Ų | 173 | 66.3 Ų | 66.3 | 65% | 0.653 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.9 | -44.1 | 179.5 | 177.2 | -177 | 168.4 | 170.2 | 4.9 | 111.4 | S101 T105 E106 E107 | S101-R103 VanDerWaalsContact C-N 3.25Å; S101-R103 PolarHBondContact O-N 3.46Å; S101-R103 PolarHBondContact OG-N 3.09Å; R103-T105 VanDerWaalsContact C-N 3.34Å; R103-E106 PolarHBondContact O-N 3.33Å; R103-E107 IonicContact CZ-OE1 2.92Å; R103-E107 IonicContact NE-OE1 2.72Å; R103-E107 PolarHBondContact NE-OE1 3.28Å; R103-E107 IonicContact NH2-OE1 3.88Å; R103-E107 VanDerWaalsContact O-CG 3.3Å; R103-E107 WeakPolarHBondContact O-CG 3.42Å; R103-E107 PolarHBondContact O-N 2.92Å |
| 104 | E | 94 | Very high | 93.8 | Very high | 74 Ų | 74 | 64.6 Ų | 64.6 | 35% | 0.346 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.9 | -35.2 | -179.2 | -65.1 | -170.3 | 150.1 | 0 | 0 | 111.9 | K82 P99 S101 R102 E107 L108 | K82-E104 IonicContact NZ-OE1 3.74Å; P99-E104 HydrophobicContact CB-CB 3.58Å; P99-E104 HydrophobicContact CG-CB 4.04Å; S101-E104 PolarHBondContact O-N 3.39Å; S101-E104 VanDerWaalsContact O-N 3.08Å; R102-E104 VanDerWaalsContact C-N 3.33Å; R102-E104 PolarHBondContact O-N 2.85Å; E104-E107 PolarHBondContact O-N 3.08Å; E104-L108 WeakPolarHBondContact O-CB 3.42Å; E104-L108 PolarHBondContact O-N 3.43Å |
| 105 | T | 94.5 | Very high | 94 | Very high | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.9 | -35.9 | 173.3 | -60.6 | 0 | 0 | 0 | 0 | 112 | P99 S101 R102 R103 L109 C124 A127 L128 | P99-T105 PolarHBondContact O-OG1 3.04Å; S101-T105 PolarHBondContact O-N 3.32Å; S101-T105 PolarHBondContact O-OG1 3.4Å; R102-T105 PolarHBondContact O-N 3.26Å; R103-T105 VanDerWaalsContact C-N 3.34Å; T105-L109 VanDerWaalsContact O-CB 3.27Å; T105-L109 WeakPolarHBondContact O-CB 3.45Å; T105-L109 PolarHBondContact O-N 3.07Å; T105-C124 HydrophobicContact CG2-CB 4.14Å; T105-A127 HydrophobicContact CG2-CB 4.32Å; T105-L128 HydrophobicContact CG2-CD1 4.27Å; T105-L128 HydrophobicContact CG2-CD2 3.89Å; T105-L128 HydrophobicContact CG2-CG 3.79Å |
| 106 | E | 95.1 | Very high | 94.1 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 41% | 0.407 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -43 | 171.6 | -75.3 | 173.3 | 179.9 | 0 | 0 | 112 | R102 R103 L109 A110 L128 | R102-E106 IonicContact CZ-OE1 3.91Å; R102-E106 IonicContact NE-OE1 3.72Å; R102-E106 PolarHBondContact NE-OE1 3.46Å; R102-E106 IonicContact NH2-OE1 3.78Å; R102-E106 PolarHBondContact NH2-OE1 3.01Å; R102-E106 WeakPolarHBondContact O-CG 3.21Å; R102-E106 PolarHBondContact O-N 2.96Å; R103-E106 PolarHBondContact O-N 3.33Å; E106-L109 PolarHBondContact O-N 3.33Å; E106-A110 PolarHBondContact O-N 2.96Å; E106-A110 VanDerWaalsContact O-N 3.1Å; E106-L128 HydrophobicContact CB-CD1 4.46Å; E106-L128 HydrophobicContact CG-CD1 3.62Å; E106-L128 HydrophobicContact CG-CD2 3.72Å; E106-L128 HydrophobicContact CG-CG 4.33Å |
| 107 | E | 96.7 | Very high | 94.2 | Very high | 52 Ų | 52 | 64.3 Ų | 64.3 | 24% | 0.243 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 174.3 | -70.4 | 169.7 | -173.8 | 0 | 0 | 111.5 | K82 H83 R103 E104 A110 E111 | K82-E107 IonicContact NZ-OE1 3.63Å; K82-E107 IonicContact NZ-OE2 3.39Å; K82-E107 PolarHBondContact NZ-OE2 3.41Å; H83-E107 IonicContact CD2-OE2 2.69Å; H83-E107 IonicContact CE1-OE2 3.75Å; H83-E107 WeakPolarHBondContact NE2-CB 3.44Å; H83-E107 IonicContact NE2-OE2 2.75Å; H83-E107 PolarHBondContact NE2-OE2 2.88Å; R103-E107 IonicContact CZ-OE1 2.92Å; R103-E107 IonicContact NE-OE1 2.72Å; R103-E107 PolarHBondContact NE-OE1 3.28Å; R103-E107 IonicContact NH2-OE1 3.88Å; R103-E107 VanDerWaalsContact O-CG 3.3Å; R103-E107 WeakPolarHBondContact O-CG 3.42Å; R103-E107 PolarHBondContact O-N 2.92Å; E104-E107 PolarHBondContact O-N 3.08Å; E107-A110 WeakPolarHBondContact O-CB 3.47Å; E107-A110 PolarHBondContact O-N 3.4Å; E107-E111 PolarHBondContact O-N 3.1Å |
| 108 | L | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 176.5 | 179.1 | 62.9 | 0 | 0 | 0 | 111.8 | H83 T86 I87 L98 P99 E104 A110 E111 A112 L120 | H83-L108 HydrophobicContact CB-CD1 3.88Å; T86-L108 HydrophobicContact CG2-CD1 3.91Å; T86-L108 HydrophobicContact CG2-CD2 3.93Å; I87-L108 HydrophobicContact CD1-CD1 3.99Å; L98-L108 HydrophobicContact CD2-CD2 4.14Å; P99-L108 HydrophobicContact CG-CD2 4.17Å; E104-L108 WeakPolarHBondContact O-CB 3.42Å; E104-L108 PolarHBondContact O-N 3.43Å; L108-A110 VanDerWaalsContact C-N 3.29Å; L108-A110 PolarHBondContact O-N 3.41Å; L108-E111 PolarHBondContact O-N 2.87Å; L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 2.85Å; L108-L120 HydrophobicContact CD1-CD2 4.32Å; L108-L120 HydrophobicContact CD2-CD1 4.48Å |
| 109 | L | 97.3 | Very high | 94.4 | Very high | 19 Ų | 19 | 63.3 Ų | 63.3 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 175.7 | 176.5 | 59.6 | 0 | 0 | 0 | 111.6 | T105 E106 E111 A112 K113 A121 C124 S125 L128 | T105-L109 VanDerWaalsContact O-CB 3.27Å; T105-L109 WeakPolarHBondContact O-CB 3.45Å; T105-L109 PolarHBondContact O-N 3.07Å; E106-L109 PolarHBondContact O-N 3.33Å; L109-E111 VanDerWaalsContact C-N 3.34Å; L109-A112 PolarHBondContact O-N 3.25Å; L109-K113 HydrophobicContact CD1-CD 4.26Å; L109-K113 HydrophobicContact CD1-CG 4.19Å; L109-K113 HydrophobicContact CG-CD 4.33Å; L109-K113 WeakPolarHBondContact O-CB 3.27Å; L109-K113 WeakPolarHBondContact O-CG 3.44Å; L109-K113 PolarHBondContact O-N 2.89Å; L109-A121 HydrophobicContact CD1-CB 4.04Å; L109-A121 WeakPolarHBondContact CD1-O 3.37Å; L109-C124 HydrophobicContact CB-CB 3.89Å; L109-C124 HydrophobicContact CD1-CB 3.89Å; L109-C124 HydrophobicContact CG-CB 4.39Å; L109-S125 WeakPolarHBondContact CD1-OG 3.45Å; L109-L128 HydrophobicContact CD2-CD1 3.68Å |
| 110 | A | 97.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 61.9 Ų | 61.9 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E106 E107 L108 Y114 | E106-A110 PolarHBondContact O-N 2.96Å; E106-A110 VanDerWaalsContact O-N 3.1Å; E107-A110 WeakPolarHBondContact O-CB 3.47Å; E107-A110 PolarHBondContact O-N 3.4Å; L108-A110 VanDerWaalsContact C-N 3.29Å; L108-A110 PolarHBondContact O-N 3.41Å; A110-Y114 PolarHBondContact O-N 3.41Å |
| 111 | E | 97.7 | Very high | 95.2 | Very high | 14 Ų | 14 | 52.4 Ų | 52.4 | 7% | 0.065 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.6 | -42.7 | 175.6 | -61.7 | -49.9 | 136.7 | 0 | 0 | 112.3 | R79 H83 I87 E107 L108 L109 K113 Y114 Y115 | R79-E111 IonicContact CZ-OE1 3.44Å; R79-E111 IonicContact CZ-OE2 3.65Å; R79-E111 IonicContact NE-OE1 3.47Å; R79-E111 PolarHBondContact NE-OE1 3.29Å; R79-E111 IonicContact NE-OE2 3Å; R79-E111 PolarHBondContact NE-OE2 3.15Å; R79-E111 IonicContact NH2-OE1 3.29Å; R79-E111 PolarHBondContact NH2-OE1 3.18Å; R79-E111 IonicContact NH2-OE2 3.63Å; R79-E111 PolarHBondContact NH2-OE2 3.17Å; H83-E111 HydrophobicContact CB-CG 4.33Å; I87-E111 HydrophobicContact CD1-CB 4.38Å; I87-E111 HydrophobicContact CG1-CB 4.48Å; E107-E111 PolarHBondContact O-N 3.1Å; L108-E111 PolarHBondContact O-N 2.87Å; L109-E111 VanDerWaalsContact C-N 3.34Å; E111-K113 VanDerWaalsContact C-N 3.27Å; E111-K113 PolarHBondContact O-N 2.8Å; E111-Y114 WeakPolarHBondContact O-CB 3.2Å; E111-Y114 PolarHBondContact O-N 2.89Å; E111-Y114 VanDerWaalsContact O-N 3.07Å; E111-Y115 HydrophobicContact CB-CD2 4.31Å; E111-Y115 HydrophobicContact CB-CE2 4.18Å; E111-Y115 WeakPolarHBondContact O-CD2 3.08Å; E111-Y115 PolarHBondContact O-N 2.7Å |
| 112 | A | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I87 L108 L109 L116 V117 L120 A121 | I87-A112 HydrophobicContact CD1-CB 4.25Å; L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 2.85Å; L109-A112 PolarHBondContact O-N 3.25Å; A112-L116 PolarHBondContact O-N 3.04Å; A112-V117 PolarHBondContact O-N 2.95Å; A112-L120 HydrophobicContact CB-CB 4.25Å; A112-L120 HydrophobicContact CB-CD2 4.12Å; A112-L120 HydrophobicContact CB-CG 4Å; A112-A121 HydrophobicContact CB-CB 4.06Å |
| 113 | K | 97.1 | Very high | 95.9 | Very high | 122 Ų | 122 | 52.2 Ų | 52.2 | 53% | 0.53 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 172.2 | -75.1 | 179.9 | 176.6 | 176.8 | 0 | 112.3 | L109 E111 L116 A121 | L109-K113 HydrophobicContact CD1-CD 4.26Å; L109-K113 HydrophobicContact CD1-CG 4.19Å; L109-K113 HydrophobicContact CG-CD 4.33Å; L109-K113 WeakPolarHBondContact O-CB 3.27Å; L109-K113 WeakPolarHBondContact O-CG 3.44Å; L109-K113 PolarHBondContact O-N 2.89Å; E111-K113 VanDerWaalsContact C-N 3.27Å; E111-K113 PolarHBondContact O-N 2.8Å; K113-L116 WeakPolarHBondContact O-CD2 3.31Å; K113-L116 PolarHBondContact O-N 3.17Å; K113-A121 HydrophobicContact CG-CB 4.17Å |
| 114 | Y | 96.1 | Very high | 96.1 | Very high | 86 Ų | 86 | 44 Ų | 44 | 34% | 0.337 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.9 | -49.1 | 178.8 | 178.7 | -92.6 | 0 | 0 | 0 | 111.9 | M56 R79 A110 E111 L116 | M56-Y114 HydrophobicContact CE-CE1 4.17Å; M56-Y114 HydrophobicContact SD-CD1 4.24Å; M56-Y114 HydrophobicContact SD-CE1 3.8Å; R79-Y114 HydrophobicContact CG-CD1 3.71Å; R79-Y114 HydrophobicContact CG-CE1 3.35Å; R79-Y114 HydrophobicContact CG-CE2 4.25Å; R79-Y114 HydrophobicContact CG-CG 4.3Å; A110-Y114 PolarHBondContact O-N 3.41Å; E111-Y114 WeakPolarHBondContact O-CB 3.2Å; E111-Y114 PolarHBondContact O-N 2.89Å; E111-Y114 VanDerWaalsContact O-N 3.07Å; Y114-L116 PolarHBondContact O-N 3.37Å |
| 115 | Y | 96.1 | Very high | 96 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 1.6 | 179.3 | -62.7 | -66.3 | 0 | 0 | 0 | 113.9 | V38 T55 M56 L57 I77 R79 F84 I87 E111 V117 | V38-Y115 WeakPolarHBondContact CG1-OH 3.41Å; T55-Y115 WeakPolarHBondContact CB-O 3.26Å; M56-Y115 WeakPolarHBondContact CB-O 3.44Å; M56-Y115 PolarHBondContact N-O 3.29Å; L57-Y115 HydrophobicContact CD1-CD1 4.18Å; L57-Y115 HydrophobicContact CD1-CG 4.44Å; L57-Y115 HydrophobicContact CD2-CD1 3.88Å; L57-Y115 HydrophobicContact CD2-CE1 4.08Å; L57-Y115 HydrophobicContact CG-CD1 3.86Å; L57-Y115 HydrophobicContact CG-CG 4.48Å; I77-Y115 HydrophobicContact CD1-CE1 4.33Å; I77-Y115 HydrophobicContact CG2-CE1 4.12Å; R79-Y115 WeakPolarHBondContact CB-OH 3.4Å; F84-Y115 HydrophobicContact CD2-CE1 4.35Å; F84-Y115 AromaticContact CD2-CE2 3.72Å; F84-Y115 HydrophobicContact CD2-CE2 3.72Å; F84-Y115 AromaticContact CD2-CZ 3.61Å; F84-Y115 AromaticContact CE2-CE1 3.88Å; F84-Y115 HydrophobicContact CE2-CE1 3.88Å; F84-Y115 HydrophobicContact CE2-CE2 4.01Å; F84-Y115 AromaticContact CE2-CZ 3.61Å; I87-Y115 HydrophobicContact CG1-CD2 4.21Å; I87-Y115 HydrophobicContact CG2-CD2 4.31Å; E111-Y115 HydrophobicContact CB-CD2 4.31Å; E111-Y115 HydrophobicContact CB-CE2 4.18Å; E111-Y115 WeakPolarHBondContact O-CD2 3.08Å; E111-Y115 PolarHBondContact O-N 2.7Å; Y115-V117 VanDerWaalsContact C-N 3.3Å; Y115-V117 PolarHBondContact O-N 3.39Å |
| 116 | L | 95.9 | Very high | 95.9 | Very high | 104 Ų | 104 | 44.2 Ų | 44.2 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 39.9 | -177.3 | -53.1 | 174.8 | 0 | 0 | 0 | 113.1 | M56 A112 K113 Y114 Q118 | M56-L116 HydrophobicContact CB-CB 4.5Å; M56-L116 HydrophobicContact CB-CD1 4.2Å; M56-L116 HydrophobicContact CB-CG 4.24Å; A112-L116 PolarHBondContact O-N 3.04Å; K113-L116 WeakPolarHBondContact O-CD2 3.31Å; K113-L116 PolarHBondContact O-N 3.17Å; Y114-L116 PolarHBondContact O-N 3.37Å; L116-Q118 VanDerWaalsContact C-N 3.34Å; L116-Q118 PolarHBondContact O-N 3.46Å |
| 117 | V | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | trans | -88 | 77.5 | 174.3 | -170.2 | 0 | 0 | 0 | 0 | 108.4 | T55 I87 Y90 L91 A112 Y115 G119 L120 A121 | T55-V117 HydrophobicContact CG2-CG2 3.96Å; I87-V117 HydrophobicContact CG2-CG2 4.16Å; Y90-V117 HydrophobicContact CD1-CG1 3.52Å; Y90-V117 HydrophobicContact CE1-CG1 3.66Å; Y90-V117 HydrophobicContact CG-CG1 4.49Å; L91-V117 HydrophobicContact CD2-CG1 4.49Å; L91-V117 HydrophobicContact CD2-CG2 4.49Å; A112-V117 PolarHBondContact O-N 2.95Å; Y115-V117 VanDerWaalsContact C-N 3.3Å; Y115-V117 PolarHBondContact O-N 3.39Å; V117-G119 PolarHBondContact O-N 3.21Å; V117-L120 HydrophobicContact CB-CB 4.34Å; V117-L120 HydrophobicContact CG1-CB 3.76Å; V117-L120 PolarHBondContact O-N 3.46Å; V117-A121 PolarHBondContact O-N 3.01Å | ||
| 118 | Q | 94.6 | Very high | 95.2 | Very high | 120 Ų | 120 | 40.6 Ų | 40.6 | 56% | 0.561 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -56.4 | -46.3 | -167.1 | -168.9 | 61.8 | 48.1 | 0 | 0 | 113.4 | L116 L120 A121 D122 | L116-Q118 VanDerWaalsContact C-N 3.34Å; L116-Q118 PolarHBondContact O-N 3.46Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-L120 PolarHBondContact O-N 2.97Å; Q118-A121 WeakPolarHBondContact O-CB 3.33Å; Q118-A121 PolarHBondContact O-N 3.32Å; Q118-A121 VanDerWaalsContact O-N 3.12Å; Q118-D122 PolarHBondContact NE2-OD1 3.19Å; Q118-D122 VanDerWaalsContact O-CG 3.24Å; Q118-D122 PolarHBondContact O-N 3.36Å |
| 119 | G | 95.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 48.1 Ų | 48.1 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.8 | -44 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y90 V117 D122 E123 | Y90-G119 WeakPolarHBondContact OH-CA 3.45Å; V117-G119 PolarHBondContact O-N 3.21Å; G119-D122 PolarHBondContact O-N 2.8Å; G119-E123 WeakPolarHBondContact O-CG 3.42Å; G119-E123 PolarHBondContact O-N 3.3Å |
| 120 | L | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -37 | 176.5 | -177.5 | 58.4 | 0 | 0 | 0 | 112.2 | I87 Y90 V96 L98 L108 A112 V117 Q118 D122 E123 C124 | I87-L120 HydrophobicContact CD1-CD2 3.59Å; Y90-L120 HydrophobicContact CD1-CB 4.1Å; Y90-L120 HydrophobicContact CD2-CB 3.94Å; Y90-L120 HydrophobicContact CD2-CD1 3.82Å; Y90-L120 HydrophobicContact CD2-CD2 4.33Å; Y90-L120 HydrophobicContact CD2-CG 4.25Å; Y90-L120 HydrophobicContact CE1-CB 4.08Å; Y90-L120 HydrophobicContact CE2-CB 3.88Å; Y90-L120 HydrophobicContact CE2-CD1 4.15Å; Y90-L120 HydrophobicContact CG-CB 4.04Å; Y90-L120 HydrophobicContact CG-CD1 4.41Å; Y90-L120 HydrophobicContact CG-CD2 4.1Å; Y90-L120 HydrophobicContact CG-CG 4.42Å; Y90-L120 PolarHBondContact OH-N 2.98Å; V96-L120 HydrophobicContact CG1-CD1 3.75Å; L98-L120 HydrophobicContact CD2-CD1 3.85Å; L108-L120 HydrophobicContact CD1-CD2 4.32Å; L108-L120 HydrophobicContact CD2-CD1 4.48Å; A112-L120 HydrophobicContact CB-CB 4.25Å; A112-L120 HydrophobicContact CB-CD2 4.12Å; A112-L120 HydrophobicContact CB-CG 4Å; V117-L120 HydrophobicContact CB-CB 4.34Å; V117-L120 HydrophobicContact CG1-CB 3.76Å; V117-L120 PolarHBondContact O-N 3.46Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-L120 PolarHBondContact O-N 2.97Å; L120-D122 VanDerWaalsContact C-N 3.32Å; L120-E123 PolarHBondContact O-N 2.75Å; L120-C124 WeakPolarHBondContact O-CB 3.18Å; L120-C124 PolarHBondContact O-N 3.12Å; L120-C124 PolarHBondContact O-SG 2.94Å |
| 121 | A | 96.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L109 A112 K113 V117 Q118 S125 | L109-A121 HydrophobicContact CD1-CB 4.04Å; L109-A121 WeakPolarHBondContact CD1-O 3.37Å; A112-A121 HydrophobicContact CB-CB 4.06Å; K113-A121 HydrophobicContact CG-CB 4.17Å; V117-A121 PolarHBondContact O-N 3.01Å; Q118-A121 WeakPolarHBondContact O-CB 3.33Å; Q118-A121 PolarHBondContact O-N 3.32Å; Q118-A121 VanDerWaalsContact O-N 3.12Å; A121-S125 WeakPolarHBondContact O-CB 3.48Å; A121-S125 PolarHBondContact O-N 2.89Å; A121-S125 PolarHBondContact O-OG 2.96Å |
| 122 | D | 95.6 | Very high | 89.7 | Confident | 88 Ų | 88 | 69 Ų | 69 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.1 | -45.4 | 176.5 | -65.8 | -21.7 | 0 | 0 | 0 | 110.9 | Q118 G119 L120 C124 S125 A126 | Q118-D122 PolarHBondContact NE2-OD1 3.19Å; Q118-D122 VanDerWaalsContact O-CG 3.24Å; Q118-D122 PolarHBondContact O-N 3.36Å; G119-D122 PolarHBondContact O-N 2.8Å; L120-D122 VanDerWaalsContact C-N 3.32Å; D122-C124 PolarHBondContact O-N 2.7Å; D122-S125 PolarHBondContact O-N 3.4Å; D122-A126 WeakPolarHBondContact O-CB 3.38Å; D122-A126 PolarHBondContact O-N 2.99Å |
| 123 | E | 94.9 | Very high | 88 | Confident | 74 Ų | 74 | 74.4 Ų | 74.4 | 35% | 0.346 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.2 | -46.6 | 175 | -75.4 | 177.5 | -155.5 | 0 | 0 | 112.2 | L98 G119 L120 A126 A127 | L98-E123 HydrophobicContact CD1-CB 4.38Å; G119-E123 WeakPolarHBondContact O-CG 3.42Å; G119-E123 PolarHBondContact O-N 3.3Å; L120-E123 PolarHBondContact O-N 2.75Å; E123-A126 PolarHBondContact O-N 2.92Å; E123-A127 WeakPolarHBondContact O-CB 3.41Å; E123-A127 PolarHBondContact O-N 3.11Å |
| 124 | C | 94.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | 176.9 | -68 | 0 | 0 | 0 | 0 | 111.8 | T105 L109 L120 D122 A127 L128 | T105-C124 HydrophobicContact CG2-CB 4.14Å; L109-C124 HydrophobicContact CB-CB 3.89Å; L109-C124 HydrophobicContact CD1-CB 3.89Å; L109-C124 HydrophobicContact CG-CB 4.39Å; L120-C124 WeakPolarHBondContact O-CB 3.18Å; L120-C124 PolarHBondContact O-N 3.12Å; L120-C124 PolarHBondContact O-SG 2.94Å; D122-C124 PolarHBondContact O-N 2.7Å; C124-A127 PolarHBondContact O-N 3.04Å; C124-L128 VanDerWaalsContact O-CG 3.31Å; C124-L128 WeakPolarHBondContact O-CG 3.41Å; C124-L128 PolarHBondContact O-N 2.77Å |
| 125 | S | 93.3 | Very high | 85.2 | Confident | 31 Ų | 31 | 80.3 Ų | 80.3 | 22% | 0.217 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.1 | -42 | 177.6 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | L109 A121 D122 L128 Q129 | L109-S125 WeakPolarHBondContact CD1-OG 3.45Å; A121-S125 WeakPolarHBondContact O-CB 3.48Å; A121-S125 PolarHBondContact O-N 2.89Å; A121-S125 PolarHBondContact O-OG 2.96Å; D122-S125 PolarHBondContact O-N 3.4Å; S125-L128 PolarHBondContact O-N 3.36Å; S125-Q129 WeakPolarHBondContact O-CG 3.43Å; S125-Q129 PolarHBondContact O-N 3.41Å |
| 126 | A | 91.6 | Very high | 84.3 | Confident | 54 Ų | 54 | 82.5 Ų | 82.5 | 45% | 0.446 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D122 E123 L128 Q129 K130 | D122-A126 WeakPolarHBondContact O-CB 3.38Å; D122-A126 PolarHBondContact O-N 2.99Å; E123-A126 PolarHBondContact O-N 2.92Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 3.34Å; A126-Q129 PolarHBondContact O-N 3.26Å; A126-K130 PolarHBondContact O-N 3.35Å |
| 127 | A | 89.3 | Confident | 83.4 | Confident | 37 Ų | 37 | 85.2 Ų | 85.2 | 31% | 0.306 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L98 T105 E123 C124 K130 | L98-A127 HydrophobicContact CD1-CB 3.65Å; T105-A127 HydrophobicContact CG2-CB 4.32Å; E123-A127 WeakPolarHBondContact O-CB 3.41Å; E123-A127 PolarHBondContact O-N 3.11Å; C124-A127 PolarHBondContact O-N 3.04Å; A127-K130 WeakPolarHBondContact O-CB 3.43Å; A127-K130 PolarHBondContact O-N 3Å |
| 128 | L | 88.1 | Confident | 83 | Confident | 26 Ų | 26 | 86.7 Ų | 86.7 | 14% | 0.136 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -76.4 | -23.6 | 178.1 | -68 | 171.9 | 0 | 0 | 0 | 114.2 | R102 T105 E106 L109 C124 S125 A126 K130 | R102-L128 HydrophobicContact CG-CD2 3.72Å; R102-L128 PolarHBondContact NH1-O 3.49Å; T105-L128 HydrophobicContact CG2-CD1 4.27Å; T105-L128 HydrophobicContact CG2-CD2 3.89Å; T105-L128 HydrophobicContact CG2-CG 3.79Å; E106-L128 HydrophobicContact CB-CD1 4.46Å; E106-L128 HydrophobicContact CG-CD1 3.62Å; E106-L128 HydrophobicContact CG-CD2 3.72Å; E106-L128 HydrophobicContact CG-CG 4.33Å; L109-L128 HydrophobicContact CD2-CD1 3.68Å; C124-L128 VanDerWaalsContact O-CG 3.31Å; C124-L128 WeakPolarHBondContact O-CG 3.41Å; C124-L128 PolarHBondContact O-N 2.77Å; S125-L128 PolarHBondContact O-N 3.36Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 3.34Å; L128-K130 VanDerWaalsContact C-N 3.34Å |
| 129 | Q | 83 | Confident | 82.8 | Confident | 158 Ų | 158 | 86.9 Ų | 86.9 | 74% | 0.738 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -77.3 | -18.4 | 172.9 | -77.6 | -178.3 | 17.8 | 0 | 0 | 113.1 | S125 A126 K131 | S125-Q129 WeakPolarHBondContact O-CG 3.43Å; S125-Q129 PolarHBondContact O-N 3.41Å; A126-Q129 PolarHBondContact O-N 3.26Å; Q129-K131 VanDerWaalsContact C-N 3.29Å; Q129-K131 PolarHBondContact O-N 3.48Å |
| 130 | K | 71.6 | Confident | 82.8 | Confident | 167 Ų | 167 | 87.8 Ų | 87.8 | 73% | 0.726 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -60.2 | 101.4 | 163.9 | -72.3 | -179.5 | 177.1 | 175.9 | 0 | 106.4 | A126 A127 L128 E132 | A126-K130 PolarHBondContact O-N 3.35Å; A127-K130 WeakPolarHBondContact O-CB 3.43Å; A127-K130 PolarHBondContact O-N 3Å; L128-K130 VanDerWaalsContact C-N 3.34Å; K130-E132 PolarHBondContact O-N 3.32Å |
| 131 | K | 58.2 | Low | 82.8 | Confident | 183 Ų | 183 | 89.8 Ų | 89.8 | 80% | 0.796 | 45% | 0.454 | S | S | * | . | trans | -42.5 | 136 | 171.3 | -85.9 | -179.7 | 171.4 | 178.3 | 0 | 107.4 | Q129 T133 | Q129-K131 VanDerWaalsContact C-N 3.29Å; Q129-K131 PolarHBondContact O-N 3.48Å; K131-T133 PolarHBondContact O-N 2.88Å; K131-T133 PolarHBondContact O-OG1 3.24Å | ||
| 132 | E | 60.6 | Low | 82.6 | Confident | 167 Ų | 167 | 93.8 Ų | 93.8 | 78% | 0.78 | 48% | 0.475 | S | S | * | . | trans | -46.1 | 97.1 | 163 | -77.4 | -177.9 | 166 | 0 | 0 | 106.8 | K130 Y134 | K130-E132 PolarHBondContact O-N 3.32Å; E132-Y134 PolarHBondContact O-N 2.81Å | ||
| 133 | T | 61.7 | Low | 82.5 | Confident | 114 Ų | 114 | 89.6 Ų | 89.6 | 70% | 0.699 | 45% | 0.452 | S | S | * | . | trans | -78.9 | 105.7 | -178.7 | -58.6 | 0 | 0 | 0 | 0 | 101.4 | K131 E135 | K131-T133 PolarHBondContact O-N 2.88Å; K131-T133 PolarHBondContact O-OG1 3.24Å; T133-E135 PolarHBondContact O-N 3.22Å | ||
| 134 | Y | 67.8 | Low | 82 | Confident | 192 Ų | 192 | 90.8 Ų | 90.8 | 75% | 0.753 | 47% | 0.465 | S | S | * | . | trans | -46.8 | 109.2 | 174.7 | 168 | -100.7 | 0 | 0 | 0 | 107.9 | E132 P136 | E132-Y134 PolarHBondContact O-N 2.81Å; Y134-P136 HydrophobicContact CE1-CB 3.8Å; Y134-P136 HydrophobicContact CE1-CG 4.41Å; Y134-P136 WeakPolarHBondContact O-CD 3.34Å | ||
| 135 | E | 68.1 | Low | 81.8 | Confident | 140 Ų | 140 | 93 Ų | 93 | 65% | 0.654 | 48% | 0.48 | S | S | * | . | trans | -92.5 | 105.5 | 176 | -77.1 | -129.6 | 109.4 | 0 | 0 | 107.1 | T133 L137 K139 | T133-E135 PolarHBondContact O-N 3.22Å; E135-L137 PolarHBondContact O-N 2.94Å; E135-K139 IonicContact OE1-NZ 3.34Å; E135-K139 PolarHBondContact OE1-NZ 3.43Å | ||
| 136 | P | 75.6 | Confident | 81.6 | Confident | 46 Ų | 46 | 94.9 Ų | 94.9 | 30% | 0.299 | 49% | 0.493 | S | S | . | . | trans | -62.6 | 133.6 | 178.3 | 23.7 | -32.5 | 0 | 0 | 0 | 110 | Y134 C138 K139 | Y134-P136 HydrophobicContact CE1-CB 3.8Å; Y134-P136 HydrophobicContact CE1-CG 4.41Å; Y134-P136 WeakPolarHBondContact O-CD 3.34Å; P136-C138 PolarHBondContact O-N 2.94Å; P136-K139 HydrophobicContact CB-CG 4.5Å; P136-K139 HydrophobicContact CG-CD 4.31Å; P136-K139 HydrophobicContact CG-CG 3.73Å | ||
| 137 | L | 77.9 | Confident | 81.5 | Confident | 161 Ų | 161 | 100.6 Ų | 100.6 | 84% | 0.843 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -59.2 | -35.7 | 179.2 | -69.4 | 169 | 0 | 0 | 0 | 112.6 | E135 N197 | E135-L137 PolarHBondContact O-N 2.94Å; L137-N197 PolarHBondContact O-ND2 2.85Å; L137-N197 PolarHBondContact O-OD1 3.5Å |
| 138 | C | 88.3 | Confident | 81.5 | Confident | 31 Ų | 31 | 102.5 Ų | 102.5 | 21% | 0.209 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -124.6 | 122.2 | 177.7 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | P136 L194 | P136-C138 PolarHBondContact O-N 2.94Å; C138-L194 HydrophobicContact CB-CD2 3.96Å |
| 139 | K | 91.3 | Very high | 81.6 | Confident | 125 Ų | 125 | 102.3 Ų | 102.3 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | trans | -110.2 | 113.2 | 177.4 | -68.9 | 173.4 | -174.5 | 172.7 | 0 | 107.7 | E135 P136 | E135-K139 IonicContact OE1-NZ 3.34Å; E135-K139 PolarHBondContact OE1-NZ 3.43Å; P136-K139 HydrophobicContact CB-CG 4.5Å; P136-K139 HydrophobicContact CG-CD 4.31Å; P136-K139 HydrophobicContact CG-CG 3.73Å | ||
| 140 | V | 95.3 | Very high | 82 | Confident | 47 Ų | 47 | 100.7 Ų | 100.7 | 29% | 0.285 | 50% | 0.501 | S | S | . | . | trans | -107.3 | 108.8 | 175 | 175.9 | 0 | 0 | 0 | 0 | 108.2 | F189 F202 K204 | V140-F189 HydrophobicContact CG1-CE1 3.69Å; V140-F189 HydrophobicContact CG1-CZ 4.02Å; V140-F189 HydrophobicContact CG2-CE1 4.48Å; V140-F202 HydrophobicContact CG2-CB 4.31Å; V140-K204 HydrophobicContact CG1-CB 4.49Å; V140-K204 HydrophobicContact CG1-CD 4.29Å; V140-K204 HydrophobicContact CG1-CG 3.93Å | ||
| 141 | P | 94.8 | Very high | 83 | Confident | 41 Ų | 41 | 101.9 Ų | 101.9 | 27% | 0.266 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -63 | 138.8 | 174.7 | -24.2 | 37 | 0 | 0 | 0 | 111.8 | L152 F202 K204 | P141-L152 HydrophobicContact CB-CD2 4.01Å; P141-L152 HydrophobicContact CG-CD2 3.99Å; P141-F202 WeakPolarHBondContact CD-O 3.33Å; P141-K204 PolarHBondContact O-N 2.91Å |
| 142 | L | 94.1 | Very high | 84.6 | Confident | 87 Ų | 87 | 95.4 Ų | 95.4 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117.1 | 170.2 | -175.6 | 71.2 | 0 | 0 | 0 | 108.3 | K204 V206 | L142-K204 CarbonylContact C-O 3.49Å; L142-K204 WeakPolarHBondContact CA-O 3.3Å; L142-K204 HydrophobicContact CD1-CB 3.73Å; L142-V206 HydrophobicContact CD1-CB 4.41Å; L142-V206 HydrophobicContact CD1-CG1 3.64Å; L142-V206 HydrophobicContact CD1-CG2 3.91Å; L142-V206 HydrophobicContact CD2-CG2 4.39Å; L142-V206 HydrophobicContact CG-CG2 4.14Å |
| 143 | M | 92.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 130.6 | -177 | -55 | -48.2 | -47.6 | 0 | 0 | 111.4 | E148 E149 L152 I203 K204 D205 | M143-E148 HydrophobicContact CE-CB 3.47Å; M143-E148 VanDerWaalsContact CE-CB 3.47Å; M143-E148 HydrophobicContact CE-CG 3.38Å; M143-E149 HydrophobicContact CE-CB 3.81Å; M143-E149 HydrophobicContact CG-CB 4.44Å; M143-L152 HydrophobicContact SD-CD2 4.08Å; M143-I203 HydrophobicContact CG-CG2 3.16Å; M143-I203 HydrophobicContact SD-CG2 3.36Å; M143-I203 WeakPolarHBondContact SD-CG2 3.44Å; M143-K204 PolarHBondContact N-O 2.83Å; M143-D205 HydrophobicContact CB-CB 4.43Å; M143-D205 HydrophobicContact CG-CB 4.49Å |
| 144 | T | 85.6 | Confident | 87.4 | Confident | 99 Ų | 99 | 86 Ų | 86 | 61% | 0.607 | 44% | 0.435 | S | S | * | . | trans | -116.3 | -8.8 | 176.9 | 63.4 | 0 | 0 | 0 | 0 | 113 | E148 | T144-E148 PolarHBondContact N-OE2 2.94Å; T144-E148 PolarHBondContact OG1-OE2 2.86Å; T144-E148 VanDerWaalsContact OG1-OE2 3.06Å | ||
| 145 | S | 89.3 | Confident | 88.5 | Confident | 47 Ų | 47 | 81.7 Ų | 81.7 | 33% | 0.329 | 43% | 0.429 | S | S | . | . | trans | -150.8 | 150.8 | 171.7 | 74.6 | 0 | 0 | 0 | 0 | 112.6 | K147 E148 E149 I207 | S145-K147 PolarHBondContact O-N 3.09Å; S145-E148 WeakPolarHBondContact O-CB 3.41Å; S145-E148 PolarHBondContact O-N 3.44Å; S145-E148 WeakPolarHBondContact OG-CB 3.36Å; S145-E148 PolarHBondContact OG-N 3.44Å; S145-E149 PolarHBondContact O-N 3.01Å; S145-I207 VanDerWaalsContact CA-CD1 3.42Å | ||
| 146 | C | 88.4 | Confident | 89.5 | Confident | 70 Ų | 70 | 76.2 Ų | 76.2 | 47% | 0.473 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.9 | -31.7 | 175.4 | -179.4 | 0 | 0 | 0 | 0 | 112.6 | E149 Q150 | C146-E149 WeakPolarHBondContact O-CB 3.46Å; C146-E149 PolarHBondContact O-N 3.09Å; C146-Q150 WeakPolarHBondContact O-CG 3.5Å; C146-Q150 PolarHBondContact O-N 3.39Å |
| 147 | K | 89.8 | Confident | 90.1 | Very high | 174 Ų | 174 | 79.6 Ų | 79.6 | 76% | 0.757 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.1 | -41.6 | 176.6 | -69.8 | -175.1 | 179.1 | -179.9 | 0 | 112.2 | S145 E149 R151 | S145-K147 PolarHBondContact O-N 3.09Å; K147-E149 VanDerWaalsContact C-N 3.29Å; K147-R151 WeakPolarHBondContact O-CB 3.33Å; K147-R151 PolarHBondContact O-N 3.23Å |
| 148 | E | 90.6 | Very high | 90.7 | Very high | 78 Ų | 78 | 75.8 Ų | 75.8 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 175.7 | -168.9 | -171.1 | -175.4 | 0 | 0 | 110.3 | M143 T144 S145 R151 L152 | M143-E148 HydrophobicContact CE-CB 3.47Å; M143-E148 VanDerWaalsContact CE-CB 3.47Å; M143-E148 HydrophobicContact CE-CG 3.38Å; T144-E148 PolarHBondContact N-OE2 2.94Å; T144-E148 PolarHBondContact OG1-OE2 2.86Å; T144-E148 VanDerWaalsContact OG1-OE2 3.06Å; S145-E148 WeakPolarHBondContact O-CB 3.41Å; S145-E148 PolarHBondContact O-N 3.44Å; S145-E148 WeakPolarHBondContact OG-CB 3.36Å; S145-E148 PolarHBondContact OG-N 3.44Å; E148-R151 PolarHBondContact O-N 3.21Å; E148-L152 VanDerWaalsContact O-CB 3.27Å; E148-L152 WeakPolarHBondContact O-CB 3.04Å; E148-L152 PolarHBondContact O-N 3.11Å |
| 149 | E | 90.3 | Very high | 91 | Very high | 22 Ų | 22 | 74.4 Ų | 74.4 | 10% | 0.103 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62 | -54.4 | 179.2 | -179.8 | -166.5 | 157.4 | 0 | 0 | 110.7 | M143 S145 C146 K147 R151 L152 I153 K162 Y217 | M143-E149 HydrophobicContact CE-CB 3.81Å; M143-E149 HydrophobicContact CG-CB 4.44Å; S145-E149 PolarHBondContact O-N 3.01Å; C146-E149 WeakPolarHBondContact O-CB 3.46Å; C146-E149 PolarHBondContact O-N 3.09Å; K147-E149 VanDerWaalsContact C-N 3.29Å; E149-R151 VanDerWaalsContact C-N 3.27Å; E149-R151 PolarHBondContact O-N 3.13Å; E149-L152 PolarHBondContact O-N 3.23Å; E149-L152 VanDerWaalsContact O-N 3.17Å; E149-I153 HydrophobicContact CG-CD1 3.67Å; E149-I153 HydrophobicContact CG-CG1 4.43Å; E149-I153 WeakPolarHBondContact O-CG1 3.3Å; E149-I153 PolarHBondContact O-N 3.37Å; E149-K162 HydrophobicContact CG-CD 4.28Å; E149-K162 WeakPolarHBondContact OE1-CE 3.29Å; E149-K162 IonicContact OE1-NZ 2.89Å; E149-K162 PolarHBondContact OE1-NZ 3.01Å; E149-K162 IonicContact OE2-NZ 2.65Å; E149-K162 PolarHBondContact OE2-NZ 3.45Å; E149-Y217 PolarHBondContact OE1-OH 3.37Å |
| 150 | Q | 90.5 | Very high | 91.3 | Very high | 124 Ų | 124 | 68.5 Ų | 68.5 | 58% | 0.579 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -58 | -43.4 | -178.8 | -72.2 | 175.5 | -3.7 | 0 | 0 | 111.3 | C146 A154 | C146-Q150 WeakPolarHBondContact O-CG 3.5Å; C146-Q150 PolarHBondContact O-N 3.39Å; Q150-A154 WeakPolarHBondContact O-CB 3.43Å; Q150-A154 PolarHBondContact O-N 2.82Å |
| 151 | R | 92.5 | Very high | 91.4 | Very high | 191 Ų | 191 | 66.3 Ų | 66.3 | 72% | 0.721 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.6 | -49.7 | 176.9 | -173.8 | -179.8 | -177.4 | -177.7 | 1.3 | 110.9 | K147 E148 E149 I153 A154 T155 | K147-R151 WeakPolarHBondContact O-CB 3.33Å; K147-R151 PolarHBondContact O-N 3.23Å; E148-R151 PolarHBondContact O-N 3.21Å; E149-R151 VanDerWaalsContact C-N 3.27Å; E149-R151 PolarHBondContact O-N 3.13Å; R151-I153 PolarHBondContact O-N 3.26Å; R151-A154 PolarHBondContact O-N 3.08Å; R151-T155 HydrophobicContact CG-CG2 4.43Å; R151-T155 WeakPolarHBondContact O-CG2 3.33Å; R151-T155 PolarHBondContact O-N 3.09Å; R151-T155 PolarHBondContact O-OG1 3.16Å |
| 152 | L | 92.4 | Very high | 91.5 | Very high | 48 Ų | 48 | 65 Ų | 65 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | -176.4 | -172.4 | 65.1 | 0 | 0 | 0 | 111.5 | P141 M143 E148 E149 T155 S156 L201 I203 | P141-L152 HydrophobicContact CB-CD2 4.01Å; P141-L152 HydrophobicContact CG-CD2 3.99Å; M143-L152 HydrophobicContact SD-CD2 4.08Å; E148-L152 VanDerWaalsContact O-CB 3.27Å; E148-L152 WeakPolarHBondContact O-CB 3.04Å; E148-L152 PolarHBondContact O-N 3.11Å; E149-L152 PolarHBondContact O-N 3.23Å; E149-L152 VanDerWaalsContact O-N 3.17Å; L152-T155 PolarHBondContact O-OG1 2.78Å; L152-S156 WeakPolarHBondContact O-CB 3.35Å; L152-S156 PolarHBondContact O-N 2.9Å; L152-S156 VanDerWaalsContact O-N 3.12Å; L152-L201 HydrophobicContact CD1-CD2 4.41Å; L152-L201 HydrophobicContact CD2-CD2 4.34Å; L152-L201 HydrophobicContact CG-CD2 3.98Å; L152-I203 HydrophobicContact CD2-CD1 3.62Å; L152-I203 HydrophobicContact CD2-CG1 3.97Å; L152-I203 HydrophobicContact CG-CD1 4.24Å |
| 153 | I | 91.8 | Very high | 91.7 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 177.1 | -65.9 | 174.2 | 0 | 0 | 0 | 111.3 | E149 R151 S156 T160 I203 Y217 | E149-I153 HydrophobicContact CG-CD1 3.67Å; E149-I153 HydrophobicContact CG-CG1 4.43Å; E149-I153 WeakPolarHBondContact O-CG1 3.3Å; E149-I153 PolarHBondContact O-N 3.37Å; R151-I153 PolarHBondContact O-N 3.26Å; I153-S156 PolarHBondContact O-N 3.19Å; I153-T160 HydrophobicContact CG1-CG2 4.31Å; I153-I203 HydrophobicContact CG1-CD1 4.17Å; I153-Y217 HydrophobicContact CD1-CD1 3.96Å; I153-Y217 HydrophobicContact CD1-CD2 4.18Å; I153-Y217 HydrophobicContact CD1-CE1 3.64Å; I153-Y217 HydrophobicContact CD1-CE2 3.91Å; I153-Y217 HydrophobicContact CD1-CG 4.23Å; I153-Y217 HydrophobicContact CG2-CD1 3.75Å; I153-Y217 HydrophobicContact CG2-CE1 4.35Å; I153-Y217 HydrophobicContact CG2-CG 4.1Å |
| 154 | A | 89.8 | Confident | 91.9 | Very high | 74 Ų | 74 | 61.5 Ų | 61.5 | 61% | 0.612 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.8 | -32.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q150 R151 | Q150-A154 WeakPolarHBondContact O-CB 3.43Å; Q150-A154 PolarHBondContact O-N 2.82Å; R151-A154 PolarHBondContact O-N 3.08Å |
| 155 | T | 89.6 | Confident | 92.3 | Very high | 102 Ų | 102 | 59.5 Ų | 59.5 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -89 | -12.4 | 179.5 | 59 | 0 | 0 | 0 | 0 | 113.9 | R151 L152 | R151-T155 HydrophobicContact CG-CG2 4.43Å; R151-T155 WeakPolarHBondContact O-CG2 3.33Å; R151-T155 PolarHBondContact O-N 3.09Å; R151-T155 PolarHBondContact O-OG1 3.16Å; L152-T155 PolarHBondContact O-OG1 2.78Å |
| 156 | S | 88.9 | Confident | 92.4 | Very high | 25 Ų | 25 | 58.3 Ų | 58.3 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | trans | -73.1 | 129 | -179.8 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | L152 I153 K158 | L152-S156 WeakPolarHBondContact O-CB 3.35Å; L152-S156 PolarHBondContact O-N 2.9Å; L152-S156 VanDerWaalsContact O-N 3.12Å; I153-S156 PolarHBondContact O-N 3.19Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact OG-N 3.48Å; S156-K158 VanDerWaalsContact OG-N 3.08Å; S156-K158 PolarHBondContact OG-O 3.19Å | ||
| 157 | N | 87.9 | Confident | 92.5 | Very high | 117 Ų | 117 | 61.2 Ų | 61.2 | 63% | 0.626 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -83.6 | -8.5 | 167.2 | 62.8 | -19.9 | 0 | 0 | 0 | 112.9 | S261 | N157-S261 PolarHBondContact O-OG 3.32Š|
| 158 | K | 92 | Very high | 92.5 | Very high | 81 Ų | 81 | 57.5 Ų | 57.5 | 35% | 0.352 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -94.1 | 146.6 | 178.3 | -59.4 | -178.7 | -169.8 | -172.8 | 0 | 110.4 | S156 T160 G198 R199 L201 | S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact OG-N 3.48Å; S156-K158 VanDerWaalsContact OG-N 3.08Å; S156-K158 PolarHBondContact OG-O 3.19Å; K158-T160 PolarHBondContact O-OG1 3.41Å; K158-G198 VanDerWaalsContact CE-O 3.24Å; K158-G198 WeakPolarHBondContact CE-O 3.48Å; K158-G198 PolarHBondContact NZ-O 2.97Å; K158-R199 WeakPolarHBondContact CB-O 3.42Å; K158-L201 HydrophobicContact CB-CB 4.31Å |
| 159 | P | 95 | Very high | 92.5 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | trans | -58.2 | 150.2 | 163.1 | 28 | -35.1 | 0 | 0 | 0 | 109.9 | V200 L201 Y217 I256 E260 | P159-V200 HydrophobicContact CG-CG2 4.12Å; P159-V200 WeakPolarHBondContact O-CA 3.23Å; P159-V200 WeakPolarHBondContact O-CG1 3.32Å; P159-L201 PolarHBondContact O-N 3.47Å; P159-Y217 WeakPolarHBondContact CA-O 3.42Å; P159-I256 HydrophobicContact CB-CB 4.1Å; P159-I256 HydrophobicContact CB-CD1 4.17Å; P159-I256 WeakPolarHBondContact CB-O 3.2Å; P159-E260 HydrophobicContact CG-CG 3.83Å | ||
| 160 | T | 96.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.6 | -170.4 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | I153 K158 L201 I203 Y217 | I153-T160 HydrophobicContact CG1-CG2 4.31Å; K158-T160 PolarHBondContact O-OG1 3.41Å; T160-L201 CarbonylContact C-O 3.48Å; T160-L201 VanDerWaalsContact CA-O 3.23Å; T160-L201 WeakPolarHBondContact CA-O 3.4Å; T160-L201 HydrophobicContact CG2-CB 4.27Å; T160-L201 HydrophobicContact CG2-CD2 4.21Å; T160-L201 HydrophobicContact CG2-CG 4.14Å; T160-L201 WeakPolarHBondContact CG2-O 3.27Å; T160-I203 HydrophobicContact CG2-CD1 3.43Å; T160-I203 VanDerWaalsContact CG2-CD1 3.43Å; T160-I203 HydrophobicContact CG2-CG1 4Å; T160-Y217 HydrophobicContact CG2-CD2 4.46Å; T160-Y217 PolarHBondContact N-O 2.88Å; T160-Y217 PolarHBondContact O-N 3.04Å |
| 161 | V | 97.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.2 | 167.7 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | F189 V200 L201 F202 I203 W214 F216 T253 I256 | V161-F189 HydrophobicContact CG1-CE2 4.35Å; V161-V200 HydrophobicContact CB-CG1 4.39Å; V161-V200 HydrophobicContact CG2-CG1 3.77Å; V161-L201 PolarHBondContact N-O 3.15Å; V161-F202 HydrophobicContact CB-CD1 3.79Å; V161-F202 HydrophobicContact CB-CE1 3.75Å; V161-F202 HydrophobicContact CB-CZ 4.47Å; V161-F202 HydrophobicContact CG1-CD1 4.12Å; V161-F202 HydrophobicContact CG1-CE1 4.01Å; V161-F202 HydrophobicContact CG2-CD1 4.46Å; V161-F202 HydrophobicContact CG2-CE1 3.97Å; V161-F202 HydrophobicContact CG2-CZ 4.28Å; V161-F202 CarbonylContact O-C 3.56Å; V161-F202 WeakPolarHBondContact O-CA 3.47Å; V161-I203 PolarHBondContact O-N 2.92Å; V161-W214 HydrophobicContact CG1-CE3 3.63Å; V161-W214 HydrophobicContact CG1-CZ3 3.83Å; V161-F216 HydrophobicContact CG1-CE1 4.2Å; V161-F216 HydrophobicContact CG2-CD1 4.08Å; V161-F216 HydrophobicContact CG2-CE1 4.22Å; V161-T253 HydrophobicContact CG2-CG2 4.49Å; V161-I256 HydrophobicContact CG2-CD1 3.26Å; V161-I256 HydrophobicContact CG2-CG1 4.44Å |
| 162 | K | 96.9 | Very high | 92.2 | Very high | 15 Ų | 15 | 53 Ų | 53 | 7% | 0.065 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.6 | 174 | -174.7 | 178.8 | 81.3 | 151.9 | 0 | 109.6 | E149 I203 D205 W214 S215 Y217 | E149-K162 HydrophobicContact CG-CD 4.28Å; E149-K162 WeakPolarHBondContact OE1-CE 3.29Å; E149-K162 IonicContact OE1-NZ 2.89Å; E149-K162 PolarHBondContact OE1-NZ 3.01Å; E149-K162 IonicContact OE2-NZ 2.65Å; E149-K162 PolarHBondContact OE2-NZ 3.45Å; K162-I203 CarbonylContact C-O 3.55Å; K162-I203 WeakPolarHBondContact CA-O 3.27Å; K162-I203 HydrophobicContact CB-CB 4.38Å; K162-I203 HydrophobicContact CG-CB 4.26Å; K162-I203 HydrophobicContact CG-CG2 4.16Å; K162-D205 HydrophobicContact CD-CB 3.96Å; K162-D205 HydrophobicContact CG-CB 4.09Å; K162-D205 IonicContact NZ-OD2 2.96Å; K162-D205 PolarHBondContact NZ-OD2 2.92Å; K162-W214 CarbonylContact O-C 3.57Å; K162-W214 WeakPolarHBondContact O-CA 3.4Å; K162-S215 PolarHBondContact N-O 3.3Å; K162-S215 PolarHBondContact O-N 3.49Å; K162-Y217 HydrophobicContact CB-CE2 4.07Å |
| 163 | L | 97.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.4 | 165.2 | 172.9 | 62.9 | 0 | 0 | 0 | 108.9 | Y165 I186 F189 I203 K204 D205 W214 | L163-Y165 HydrophobicContact CD2-CD1 4.14Å; L163-Y165 HydrophobicContact CG-CD1 4.05Å; L163-I186 HydrophobicContact CD2-CG1 4.37Å; L163-F189 HydrophobicContact CB-CB 4.45Å; L163-F189 HydrophobicContact CB-CD2 3.28Å; L163-F189 HydrophobicContact CB-CE2 3.56Å; L163-F189 HydrophobicContact CB-CG 3.94Å; L163-F189 HydrophobicContact CB-CZ 4.44Å; L163-F189 HydrophobicContact CD2-CB 3.63Å; L163-F189 HydrophobicContact CD2-CD2 4.08Å; L163-F189 HydrophobicContact CD2-CG 3.87Å; L163-F189 HydrophobicContact CG-CD2 4.3Å; L163-I203 PolarHBondContact N-O 3.48Å; L163-K204 WeakPolarHBondContact O-CA 3.44Å; L163-D205 PolarHBondContact O-N 3Å; L163-W214 HydrophobicContact CD1-CD2 4.13Å; L163-W214 HydrophobicContact CD1-CG 4.18Å; L163-W214 HydrophobicContact CD1-CZ2 4.36Å; L163-W214 HydrophobicContact CD2-CZ2 4.49Å |
| 164 | L | 95.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 127.7 | 166.5 | -177 | 164.2 | 0 | 0 | 0 | 108.5 | D205 E210 C212 C213 | L164-D205 VanDerWaalsContact CA-O 3.28Å; L164-D205 WeakPolarHBondContact CA-O 3.47Å; L164-D205 HydrophobicContact CB-CB 4.17Å; L164-D205 HydrophobicContact CG-CB 4.4Å; L164-E210 HydrophobicContact CD1-CB 4.15Å; L164-E210 HydrophobicContact CD2-CB 3.77Å; L164-E210 WeakPolarHBondContact CD2-O 3.49Å; L164-C212 CarbonylContact O-C 3.53Å; L164-C212 VanDerWaalsContact O-CA 3.26Å; L164-C212 WeakPolarHBondContact O-CA 3.24Å; L164-C213 HydrophobicContact CB-CB 4.43Å; L164-C213 PolarHBondContact N-O 3.41Å; L164-C213 PolarHBondContact O-N 2.95Å |
| 165 | Y | 94.4 | Very high | 92 | Very high | 57 Ų | 57 | 55.9 Ų | 55.9 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 128.9 | 170.9 | 66.5 | -79.8 | 0 | 0 | 0 | 111.5 | L163 I186 K204 D205 V206 I211 | L163-Y165 HydrophobicContact CD2-CD1 4.14Å; L163-Y165 HydrophobicContact CG-CD1 4.05Å; Y165-I186 HydrophobicContact CD2-CD1 3.98Å; Y165-I186 HydrophobicContact CD2-CG1 4.43Å; Y165-I186 HydrophobicContact CE2-CD1 4.11Å; Y165-I186 HydrophobicContact CG-CD1 4.43Å; Y165-I186 HydrophobicContact CG-CG1 4.41Å; Y165-K204 HydrophobicContact CE1-CB 4.2Å; Y165-K204 HydrophobicContact CE1-CD 4.08Å; Y165-K204 HydrophobicContact CE1-CG 4.17Å; Y165-D205 PolarHBondContact N-O 3.42Å; Y165-V206 HydrophobicContact CE1-CG1 4.03Å; Y165-V206 HydrophobicContact CE2-CG1 4.19Å; Y165-I211 CarbonylContact C-O 3.52Å; Y165-I211 VanDerWaalsContact CA-O 3.3Å; Y165-I211 WeakPolarHBondContact CA-O 3.43Å |
| 166 | N | 92.3 | Very high | 92.1 | Very high | 22 Ų | 22 | 55.5 Ų | 55.5 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | trans | -140 | 86.1 | -176.1 | -173.9 | -11.3 | 0 | 0 | 0 | 110.3 | S168 N169 G208 E210 I211 | N166-S168 PolarHBondContact O-N 3.28Å; N166-S168 PolarHBondContact OD1-N 3.33Å; N166-S168 PolarHBondContact OD1-OG 3.09Å; N166-N169 WeakPolarHBondContact O-CB 3.33Å; N166-N169 PolarHBondContact O-N 2.92Å; N166-N169 PolarHBondContact OD1-N 3.4Å; N166-G208 PolarHBondContact ND2-O 3.26Å; N166-E210 WeakPolarHBondContact CB-O 3.46Å; N166-I211 PolarHBondContact N-O 3.03Å | ||
| 167 | R | 90.6 | Very high | 92.3 | Very high | 132 Ų | 132 | 58.4 Ų | 58.4 | 50% | 0.498 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -19.9 | 177.8 | -172 | 176 | -178.8 | -133 | 2.2 | 113.1 | N169 Y172 Y174 D179 | R167-N169 VanDerWaalsContact C-N 3.27Å; R167-N169 PolarHBondContact O-N 2.81Å; R167-Y172 HydrophobicContact CG-CD1 4.42Å; R167-Y172 HydrophobicContact CG-CE1 4.08Å; R167-Y174 HydrophobicContact CG-CE1 4.23Å; R167-Y174 PolarHBondContact O-OH 3Å; R167-D179 IonicContact CZ-OD1 3.61Å; R167-D179 IonicContact CZ-OD2 3.75Å; R167-D179 IonicContact NE-OD1 2.99Å; R167-D179 PolarHBondContact NE-OD1 3.31Å; R167-D179 IonicContact NE-OD2 3.88Å; R167-D179 IonicContact NH2-OD1 3.42Å; R167-D179 PolarHBondContact NH2-OD1 3.49Å; R167-D179 IonicContact NH2-OD2 2.84Å; R167-D179 PolarHBondContact NH2-OD2 2.93Å |
| 168 | S | 90.2 | Very high | 92.6 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 67% | 0.671 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.1 | 177.6 | 48.4 | 0 | 0 | 0 | 0 | 114.1 | N166 N170 | N166-S168 PolarHBondContact O-N 3.28Å; N166-S168 PolarHBondContact OD1-N 3.33Å; N166-S168 PolarHBondContact OD1-OG 3.09Å; S168-N170 PolarHBondContact O-N 2.78Å |
| 169 | N | 89.8 | Confident | 92.7 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | trans | -63.3 | 130.2 | 179.4 | -168.2 | -60.5 | 0 | 0 | 0 | 110.8 | N166 R167 K171 Y172 D209 I211 | N166-N169 WeakPolarHBondContact O-CB 3.33Å; N166-N169 PolarHBondContact O-N 2.92Å; N166-N169 PolarHBondContact OD1-N 3.4Å; R167-N169 VanDerWaalsContact C-N 3.27Å; R167-N169 PolarHBondContact O-N 2.81Å; N169-K171 PolarHBondContact O-N 3.32Å; N169-K171 WeakPolarHBondContact OD1-CB 3.41Å; N169-K171 PolarHBondContact OD1-N 2.65Å; N169-Y172 WeakPolarHBondContact O-CB 3.4Å; N169-Y172 PolarHBondContact O-N 3.36Å; N169-D209 PolarHBondContact ND2-O 3.23Å; N169-I211 HydrophobicContact CB-CD1 4.43Å; N169-I211 HydrophobicContact CB-CG1 3.67Å | ||
| 170 | N | 88.1 | Confident | 92.8 | Very high | 166 Ų | 166 | 54.8 Ų | 54.8 | 89% | 0.888 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -17.8 | -177.2 | -69.5 | -30.3 | 0 | 0 | 0 | 114.3 | S168 Y172 | S168-N170 PolarHBondContact O-N 2.78Å; N170-Y172 VanDerWaalsContact C-N 3.35Å |
| 171 | K | 88.8 | Confident | 92.8 | Very high | 127 Ų | 127 | 55.3 Ų | 55.3 | 55% | 0.552 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -5 | 176.6 | -61.1 | 172.1 | -174.8 | 162.2 | 0 | 112.8 | N169 I211 T240 | N169-K171 PolarHBondContact O-N 3.32Å; N169-K171 WeakPolarHBondContact OD1-CB 3.41Å; N169-K171 PolarHBondContact OD1-N 2.65Å; K171-I211 HydrophobicContact CB-CD1 4.12Å; K171-T240 WeakPolarHBondContact O-CB 3.27Å; K171-T240 PolarHBondContact O-N 2.92Å; K171-T240 PolarHBondContact O-OG1 3.46Å |
| 172 | Y | 89.6 | Confident | 92.7 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 4% | 0.035 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 129.6 | -178.8 | -175 | -96.2 | 0 | 0 | 0 | 111.7 | R167 N169 N170 Y174 S178 D179 M182 I211 V242 | R167-Y172 HydrophobicContact CG-CD1 4.42Å; R167-Y172 HydrophobicContact CG-CE1 4.08Å; N169-Y172 WeakPolarHBondContact O-CB 3.4Å; N169-Y172 PolarHBondContact O-N 3.36Å; N170-Y172 VanDerWaalsContact C-N 3.35Å; Y172-Y174 AromaticContact CD1-CD1 3.49Å; Y172-Y174 HydrophobicContact CD1-CD1 3.49Å; Y172-Y174 VanDerWaalsContact CD1-CD1 3.49Å; Y172-Y174 AromaticContact CD1-CD2 3.89Å; Y172-Y174 HydrophobicContact CD1-CD2 3.89Å; Y172-Y174 AromaticContact CD1-CE1 3.44Å; Y172-Y174 HydrophobicContact CD1-CE1 3.44Å; Y172-Y174 VanDerWaalsContact CD1-CE1 3.44Å; Y172-Y174 AromaticContact CD1-CE2 3.86Å; Y172-Y174 HydrophobicContact CD1-CE2 3.86Å; Y172-Y174 AromaticContact CD1-CG 3.7Å; Y172-Y174 HydrophobicContact CD1-CG 3.7Å; Y172-Y174 AromaticContact CD1-CZ 3.63Å; Y172-Y174 AromaticContact CE1-CD1 3.54Å; Y172-Y174 HydrophobicContact CE1-CD1 3.54Å; Y172-Y174 AromaticContact CE1-CE1 3.77Å; Y172-Y174 HydrophobicContact CE1-CE1 3.77Å; Y172-Y174 AromaticContact CE1-CG 3.99Å; Y172-Y174 HydrophobicContact CE1-CG 3.99Å; Y172-S178 PolarHBondContact OH-O 3.2Å; Y172-D179 WeakPolarHBondContact CE1-OD1 3.22Å; Y172-D179 WeakPolarHBondContact OH-CA 3.27Å; Y172-D179 PolarHBondContact OH-N 2.84Å; Y172-D179 PolarHBondContact OH-OD1 3.07Å; Y172-M182 HydrophobicContact CE2-CE 3.89Å; Y172-I211 HydrophobicContact CD2-CG2 3.59Å; Y172-I211 HydrophobicContact CE2-CG2 4.08Å; Y172-V242 HydrophobicContact CD2-CG2 4.13Å; Y172-V242 HydrophobicContact CE2-CG2 3.55Å |
| 173 | S | 89.8 | Confident | 92.8 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | trans | -87.7 | 106.6 | 173.9 | -170.7 | 0 | 0 | 0 | 0 | 110.3 | T175 S178 Q239 T240 | S173-T175 PolarHBondContact O-N 2.66Å; S173-S178 WeakPolarHBondContact O-CB 3.42Å; S173-S178 PolarHBondContact O-OG 3.21Å; S173-Q239 PolarHBondContact OG-OE1 3.33Å; S173-T240 VanDerWaalsContact CB-O 3.25Å; S173-T240 WeakPolarHBondContact CB-O 3.41Å; S173-T240 PolarHBondContact N-O 3.06Å | ||
| 174 | Y | 89.4 | Confident | 92.8 | Very high | 141 Ų | 141 | 64.4 Ų | 64.4 | 55% | 0.553 | 33% | 0.326 | S | S | * | . | trans | -75.2 | 50.9 | 178.8 | -64.8 | -83.7 | 0 | 0 | 0 | 113.6 | R167 Y172 | R167-Y174 HydrophobicContact CG-CE1 4.23Å; R167-Y174 PolarHBondContact O-OH 3Å; Y172-Y174 AromaticContact CD1-CD1 3.49Å; Y172-Y174 HydrophobicContact CD1-CD1 3.49Å; Y172-Y174 VanDerWaalsContact CD1-CD1 3.49Å; Y172-Y174 AromaticContact CD1-CD2 3.89Å; Y172-Y174 HydrophobicContact CD1-CD2 3.89Å; Y172-Y174 AromaticContact CD1-CE1 3.44Å; Y172-Y174 HydrophobicContact CD1-CE1 3.44Å; Y172-Y174 VanDerWaalsContact CD1-CE1 3.44Å; Y172-Y174 AromaticContact CD1-CE2 3.86Å; Y172-Y174 HydrophobicContact CD1-CE2 3.86Å; Y172-Y174 AromaticContact CD1-CG 3.7Å; Y172-Y174 HydrophobicContact CD1-CG 3.7Å; Y172-Y174 AromaticContact CD1-CZ 3.63Å; Y172-Y174 AromaticContact CE1-CD1 3.54Å; Y172-Y174 HydrophobicContact CE1-CD1 3.54Å; Y172-Y174 AromaticContact CE1-CE1 3.77Å; Y172-Y174 HydrophobicContact CE1-CE1 3.77Å; Y172-Y174 AromaticContact CE1-CG 3.99Å; Y172-Y174 HydrophobicContact CE1-CG 3.99Å | ||
| 175 | T | 90.6 | Very high | 92.9 | Very high | 50 Ų | 50 | 63.9 Ų | 63.9 | 31% | 0.307 | 32% | 0.323 | S | S | . | . | trans | -89.7 | 151.1 | 169 | 67.9 | 0 | 0 | 0 | 0 | 109.8 | S173 N177 S178 D179 | S173-T175 PolarHBondContact O-N 2.66Å; T175-N177 PolarHBondContact O-N 3.37Å; T175-S178 PolarHBondContact O-N 2.87Å; T175-S178 PolarHBondContact OG1-N 2.95Å; T175-S178 PolarHBondContact OG1-OG 2.97Å; T175-S178 VanDerWaalsContact OG1-OG 3.12Å; T175-D179 PolarHBondContact O-N 2.75Å; T175-D179 VanDerWaalsContact O-N 3.08Å | ||
| 176 | S | 91.6 | Very high | 93 | Very high | 94 Ų | 94 | 62.9 Ų | 62.9 | 66% | 0.657 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -52.7 | -41.5 | 176.1 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | S178 D179 D180 | S176-S178 PolarHBondContact O-N 3.23Å; S176-D179 PolarHBondContact O-N 2.81Å; S176-D180 WeakPolarHBondContact O-CB 3.33Å; S176-D180 PolarHBondContact O-N 3.28Å |
| 177 | N | 93.2 | Very high | 93.3 | Very high | 85 Ų | 85 | 66.7 Ų | 66.7 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 177.7 | -174.5 | 86.7 | 0 | 0 | 0 | 113.3 | T175 N181 | T175-N177 PolarHBondContact O-N 3.37Å; N177-N181 PolarHBondContact ND2-ND2 3.08Å; N177-N181 WeakPolarHBondContact O-CB 3.4Å; N177-N181 VanDerWaalsContact O-CG 3.26Å; N177-N181 PolarHBondContact O-N 3.18Å; N177-N181 PolarHBondContact O-ND2 3.1Å |
| 178 | S | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 175.4 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | Y172 S173 T175 S176 N181 M182 V242 | Y172-S178 PolarHBondContact OH-O 3.2Å; S173-S178 WeakPolarHBondContact O-CB 3.42Å; S173-S178 PolarHBondContact O-OG 3.21Å; T175-S178 PolarHBondContact O-N 2.87Å; T175-S178 PolarHBondContact OG1-N 2.95Å; T175-S178 PolarHBondContact OG1-OG 2.97Å; T175-S178 VanDerWaalsContact OG1-OG 3.12Å; S176-S178 PolarHBondContact O-N 3.23Å; S178-N181 PolarHBondContact O-N 3.5Å; S178-M182 WeakPolarHBondContact O-CB 3.11Å; S178-M182 PolarHBondContact O-N 2.98Å; S178-V242 PolarHBondContact OG-N 3.33Å |
| 179 | D | 94.6 | Very high | 94.1 | Very high | 38 Ų | 38 | 56.1 Ų | 56.1 | 20% | 0.203 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 179.3 | -84.1 | -15.8 | 0 | 0 | 0 | 110.9 | R167 Y172 T175 S176 N181 M182 L183 | R167-D179 IonicContact CZ-OD1 3.61Å; R167-D179 IonicContact CZ-OD2 3.75Å; R167-D179 IonicContact NE-OD1 2.99Å; R167-D179 PolarHBondContact NE-OD1 3.31Å; R167-D179 IonicContact NE-OD2 3.88Å; R167-D179 IonicContact NH2-OD1 3.42Å; R167-D179 PolarHBondContact NH2-OD1 3.49Å; R167-D179 IonicContact NH2-OD2 2.84Å; R167-D179 PolarHBondContact NH2-OD2 2.93Å; Y172-D179 WeakPolarHBondContact CE1-OD1 3.22Å; Y172-D179 WeakPolarHBondContact OH-CA 3.27Å; Y172-D179 PolarHBondContact OH-N 2.84Å; Y172-D179 PolarHBondContact OH-OD1 3.07Å; T175-D179 PolarHBondContact O-N 2.75Å; T175-D179 VanDerWaalsContact O-N 3.08Å; S176-D179 PolarHBondContact O-N 2.81Å; D179-N181 PolarHBondContact O-N 3.22Å; D179-M182 WeakPolarHBondContact O-CB 3.31Å; D179-M182 PolarHBondContact O-N 3.48Å; D179-L183 WeakPolarHBondContact O-CG 3.48Å; D179-L183 PolarHBondContact O-N 3.03Å |
| 180 | D | 96.9 | Very high | 94.4 | Very high | 86 Ų | 86 | 58.1 Ų | 58.1 | 46% | 0.46 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.5 | -70.6 | -17.7 | 0 | 0 | 0 | 111.5 | S176 M182 L183 K184 | S176-D180 WeakPolarHBondContact O-CB 3.33Å; S176-D180 PolarHBondContact O-N 3.28Å; D180-M182 VanDerWaalsContact C-N 3.34Å; D180-M182 PolarHBondContact O-N 3.3Å; D180-L183 PolarHBondContact O-N 3.2Å; D180-K184 WeakPolarHBondContact O-CG 3.45Å; D180-K184 PolarHBondContact O-N 3.29Å |
| 181 | N | 97.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.07 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.1 | -35.1 | 177.8 | -75.7 | -16.8 | 0 | 0 | 0 | 112.2 | N177 S178 D179 K184 N185 V242 F244 | N177-N181 PolarHBondContact ND2-ND2 3.08Å; N177-N181 WeakPolarHBondContact O-CB 3.4Å; N177-N181 VanDerWaalsContact O-CG 3.26Å; N177-N181 PolarHBondContact O-N 3.18Å; N177-N181 PolarHBondContact O-ND2 3.1Å; S178-N181 PolarHBondContact O-N 3.5Å; D179-N181 PolarHBondContact O-N 3.22Å; N181-K184 PolarHBondContact O-N 3.44Å; N181-N185 PolarHBondContact O-N 3.02Å; N181-N185 PolarHBondContact O-ND2 3.46Å; N181-V242 HydrophobicContact CB-CB 4.46Å; N181-V242 HydrophobicContact CB-CG1 4.04Å; N181-V242 WeakPolarHBondContact CB-O 3.42Å; N181-V242 PolarHBondContact ND2-O 3.21Å; N181-F244 HydrophobicContact CB-CB 4.1Å |
| 182 | M | 96.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.034 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 173 | -176.2 | 65 | 84.3 | 0 | 0 | 110.9 | Y172 S178 D179 D180 K184 N185 I186 I211 C212 V242 | Y172-M182 HydrophobicContact CE2-CE 3.89Å; S178-M182 WeakPolarHBondContact O-CB 3.11Å; S178-M182 PolarHBondContact O-N 2.98Å; D179-M182 WeakPolarHBondContact O-CB 3.31Å; D179-M182 PolarHBondContact O-N 3.48Å; D180-M182 VanDerWaalsContact C-N 3.34Å; D180-M182 PolarHBondContact O-N 3.3Å; M182-K184 PolarHBondContact O-N 2.97Å; M182-N185 WeakPolarHBondContact O-CB 3.41Å; M182-N185 PolarHBondContact O-N 3.27Å; M182-I186 HydrophobicContact CG-CD1 4.17Å; M182-I186 WeakPolarHBondContact O-CG1 3.42Å; M182-I186 PolarHBondContact O-N 3.4Å; M182-I186 VanDerWaalsContact O-N 3.08Å; M182-I211 HydrophobicContact CE-CG2 4.04Å; M182-C212 HydrophobicContact CE-CB 4.07Å; M182-C212 HydrophobicContact SD-CB 4.23Å; M182-V242 HydrophobicContact CB-CG1 4.39Å; M182-V242 HydrophobicContact CE-CG2 4.01Å |
| 183 | L | 97.3 | Very high | 95.6 | Very high | 109 Ų | 109 | 49.3 Ų | 49.3 | 57% | 0.571 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -62.9 | -41.3 | 177.6 | -68.6 | 174.5 | 0 | 0 | 0 | 111.9 | D179 D180 N185 I186 E187 | D179-L183 WeakPolarHBondContact O-CG 3.48Å; D179-L183 PolarHBondContact O-N 3.03Å; D180-L183 PolarHBondContact O-N 3.2Å; L183-N185 VanDerWaalsContact C-N 3.34Å; L183-N185 PolarHBondContact O-N 2.93Å; L183-I186 PolarHBondContact O-N 3.05Å; L183-E187 WeakPolarHBondContact O-CB 3.32Å; L183-E187 PolarHBondContact O-N 2.87Å |
| 184 | K | 98 | Very high | 95.8 | Very high | 91 Ų | 91 | 54.8 Ų | 54.8 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 175 | -72.1 | 172.9 | -174 | 170.8 | 0 | 112.7 | D180 N181 M182 L188 F244 | D180-K184 WeakPolarHBondContact O-CG 3.45Å; D180-K184 PolarHBondContact O-N 3.29Å; N181-K184 PolarHBondContact O-N 3.44Å; M182-K184 PolarHBondContact O-N 2.97Å; K184-L188 VanDerWaalsContact O-CB 3.26Å; K184-L188 WeakPolarHBondContact O-CB 2.98Å; K184-L188 PolarHBondContact O-N 2.93Å; K184-F244 HydrophobicContact CB-CB 4.45Å; K184-F244 HydrophobicContact CB-CD1 3.79Å; K184-F244 HydrophobicContact CB-CD2 3.81Å; K184-F244 HydrophobicContact CB-CE1 3.87Å; K184-F244 HydrophobicContact CB-CE2 3.91Å; K184-F244 HydrophobicContact CB-CG 3.75Å; K184-F244 HydrophobicContact CB-CZ 3.93Å; K184-F244 HydrophobicContact CD-CD1 3.72Å; K184-F244 HydrophobicContact CD-CE1 4.12Å; K184-F244 HydrophobicContact CD-CG 4.23Å; K184-F244 HydrophobicContact CG-CD1 4.33Å; K184-F244 HydrophobicContact CG-CE1 4.4Å; K184-F244 WeakPolarHBondContact O-CE2 3.39Å |
| 185 | N | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 173.7 | -82.3 | -77.9 | 0 | 0 | 0 | 111.4 | N181 M182 L183 L188 F189 W214 E243 I249 | N181-N185 PolarHBondContact O-N 3.02Å; N181-N185 PolarHBondContact O-ND2 3.46Å; M182-N185 WeakPolarHBondContact O-CB 3.41Å; M182-N185 PolarHBondContact O-N 3.27Å; L183-N185 VanDerWaalsContact C-N 3.34Å; L183-N185 PolarHBondContact O-N 2.93Å; N185-L188 PolarHBondContact O-N 3.46Å; N185-F189 WeakPolarHBondContact O-CB 3.38Å; N185-F189 PolarHBondContact O-N 3.47Å; N185-W214 VanDerWaalsContact O-CZ2 3.3Å; N185-W214 WeakPolarHBondContact O-CZ2 3.42Å; N185-W214 PolarHBondContact OD1-NE1 3.48Å; N185-E243 PolarHBondContact ND2-O 2.95Å; N185-I249 WeakPolarHBondContact OD1-CD1 3.26Å |
| 186 | I | 97.8 | Very high | 96.3 | Very high | 36 Ų | 36 | 55.5 Ų | 55.5 | 19% | 0.185 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.3 | -46 | 178.7 | -64.9 | 165.8 | 0 | 0 | 0 | 110.9 | L163 Y165 M182 L183 L188 F189 D190 | L163-I186 HydrophobicContact CD2-CG1 4.37Å; Y165-I186 HydrophobicContact CD2-CD1 3.98Å; Y165-I186 HydrophobicContact CD2-CG1 4.43Å; Y165-I186 HydrophobicContact CE2-CD1 4.11Å; Y165-I186 HydrophobicContact CG-CD1 4.43Å; Y165-I186 HydrophobicContact CG-CG1 4.41Å; M182-I186 HydrophobicContact CG-CD1 4.17Å; M182-I186 WeakPolarHBondContact O-CG1 3.42Å; M182-I186 PolarHBondContact O-N 3.4Å; M182-I186 VanDerWaalsContact O-N 3.08Å; L183-I186 PolarHBondContact O-N 3.05Å; I186-L188 PolarHBondContact O-N 2.96Å; I186-F189 WeakPolarHBondContact O-CB 3.48Å; I186-F189 PolarHBondContact O-N 3.25Å; I186-D190 PolarHBondContact O-N 3.48Å |
| 187 | E | 98.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 54.7 Ų | 54.7 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 179 | -172.3 | -170.9 | 165.3 | 0 | 0 | 111.6 | L183 F189 D190 K191 | L183-E187 WeakPolarHBondContact O-CB 3.32Å; L183-E187 PolarHBondContact O-N 2.87Å; E187-F189 VanDerWaalsContact C-N 3.32Å; E187-F189 PolarHBondContact O-N 3.34Å; E187-D190 PolarHBondContact O-N 2.93Å; E187-K191 HydrophobicContact CG-CD 4.49Å; E187-K191 WeakPolarHBondContact O-CG 3.36Å; E187-K191 PolarHBondContact O-N 3.32Å; E187-K191 WeakPolarHBondContact OE1-CE 3.26Å; E187-K191 IonicContact OE1-NZ 2.96Å; E187-K191 PolarHBondContact OE1-NZ 2.84Å |
| 188 | L | 98.4 | Very high | 96 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 176.4 | 179.1 | 57.6 | 0 | 0 | 0 | 111.2 | K184 N185 I186 D190 K191 L192 W214 F244 E246 I249 Y250 | K184-L188 VanDerWaalsContact O-CB 3.26Å; K184-L188 WeakPolarHBondContact O-CB 2.98Å; K184-L188 PolarHBondContact O-N 2.93Å; N185-L188 PolarHBondContact O-N 3.46Å; I186-L188 PolarHBondContact O-N 2.96Å; L188-D190 VanDerWaalsContact C-N 3.34Å; L188-D190 PolarHBondContact O-N 3.22Å; L188-K191 PolarHBondContact O-N 3.02Å; L188-L192 HydrophobicContact CD1-CD1 3.99Å; L188-L192 HydrophobicContact CD1-CG 4.03Å; L188-L192 HydrophobicContact CG-CD1 3.91Å; L188-L192 HydrophobicContact CG-CG 4.37Å; L188-L192 WeakPolarHBondContact O-CB 3.5Å; L188-L192 VanDerWaalsContact O-CG 3.26Å; L188-L192 WeakPolarHBondContact O-CG 3.42Å; L188-L192 PolarHBondContact O-N 3.39Å; L188-W214 HydrophobicContact CB-CH2 4.38Å; L188-W214 HydrophobicContact CB-CZ2 4.35Å; L188-W214 HydrophobicContact CD2-CH2 4.4Å; L188-W214 HydrophobicContact CD2-CZ2 4.31Å; L188-W214 HydrophobicContact CG-CH2 4.09Å; L188-W214 HydrophobicContact CG-CZ2 4.32Å; L188-F244 HydrophobicContact CB-CE2 3.99Å; L188-F244 HydrophobicContact CB-CZ 4.2Å; L188-F244 HydrophobicContact CD2-CE2 3.63Å; L188-F244 HydrophobicContact CD2-CZ 3.87Å; L188-F244 HydrophobicContact CG-CE2 4.45Å; L188-E246 HydrophobicContact CD2-CG 4.3Å; L188-I249 HydrophobicContact CD2-CB 4Å; L188-I249 HydrophobicContact CD2-CD1 4.1Å; L188-I249 HydrophobicContact CD2-CG2 3.68Å; L188-I249 HydrophobicContact CG-CG2 4.45Å; L188-Y250 HydrophobicContact CD1-CD2 4.16Å; L188-Y250 HydrophobicContact CD1-CE1 4.12Å; L188-Y250 HydrophobicContact CD1-CE2 3.37Å; L188-Y250 VanDerWaalsContact CD1-OH 3.27Å; L188-Y250 WeakPolarHBondContact CD1-OH 3.48Å; L188-Y250 HydrophobicContact CD2-CD2 4.47Å; L188-Y250 HydrophobicContact CD2-CE2 4.34Å |
| 189 | F | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 177.2 | 179.5 | -83.8 | 0 | 0 | 0 | 111.5 | V140 V161 L163 N185 I186 E187 K191 L192 S193 F202 I203 K204 W214 | V140-F189 HydrophobicContact CG1-CE1 3.69Å; V140-F189 HydrophobicContact CG1-CZ 4.02Å; V140-F189 HydrophobicContact CG2-CE1 4.48Å; V161-F189 HydrophobicContact CG1-CE2 4.35Å; L163-F189 HydrophobicContact CB-CB 4.45Å; L163-F189 HydrophobicContact CB-CD2 3.28Å; L163-F189 HydrophobicContact CB-CE2 3.56Å; L163-F189 HydrophobicContact CB-CG 3.94Å; L163-F189 HydrophobicContact CB-CZ 4.44Å; L163-F189 HydrophobicContact CD2-CB 3.63Å; L163-F189 HydrophobicContact CD2-CD2 4.08Å; L163-F189 HydrophobicContact CD2-CG 3.87Å; L163-F189 HydrophobicContact CG-CD2 4.3Å; N185-F189 WeakPolarHBondContact O-CB 3.38Å; N185-F189 PolarHBondContact O-N 3.47Å; I186-F189 WeakPolarHBondContact O-CB 3.48Å; I186-F189 PolarHBondContact O-N 3.25Å; E187-F189 VanDerWaalsContact C-N 3.32Å; E187-F189 PolarHBondContact O-N 3.34Å; F189-K191 PolarHBondContact O-N 3.38Å; F189-L192 PolarHBondContact O-N 2.69Å; F189-S193 WeakPolarHBondContact O-CB 3.46Å; F189-S193 PolarHBondContact O-N 2.72Å; F189-S193 PolarHBondContact O-OG 3.48Å; F189-F202 HydrophobicContact CD2-CD1 4.14Å; F189-F202 HydrophobicContact CE1-CB 4.2Å; F189-F202 HydrophobicContact CE1-CD1 4.44Å; F189-F202 HydrophobicContact CE2-CB 4.27Å; F189-F202 AromaticContact CE2-CD1 3.74Å; F189-F202 HydrophobicContact CE2-CD1 3.74Å; F189-F202 HydrophobicContact CZ-CB 3.67Å; F189-F202 AromaticContact CZ-CD1 3.92Å; F189-F202 HydrophobicContact CZ-CD1 3.92Å; F189-F202 HydrophobicContact CZ-CG 4.29Å; F189-I203 WeakPolarHBondContact CE2-O 3.39Å; F189-I203 VanDerWaalsContact CZ-O 3.27Å; F189-I203 WeakPolarHBondContact CZ-O 3.21Å; F189-K204 HydrophobicContact CD1-CD 4.47Å; F189-K204 VanDerWaalsContact CD1-CE 3.41Å; F189-K204 HydrophobicContact CD1-CG 4.19Å; F189-K204 HydrophobicContact CE1-CD 4.16Å; F189-K204 VanDerWaalsContact CE1-CE 3.47Å; F189-K204 HydrophobicContact CE1-CG 3.6Å; F189-K204 HydrophobicContact CZ-CG 3.89Å; F189-W214 VanDerWaalsContact CA-CH2 3.41Å; F189-W214 HydrophobicContact CB-CH2 3.49Å; F189-W214 VanDerWaalsContact CB-CH2 3.49Å; F189-W214 HydrophobicContact CB-CZ2 3.97Å; F189-W214 HydrophobicContact CB-CZ3 4.14Å; F189-W214 HydrophobicContact CD2-CE3 4.35Å; F189-W214 AromaticContact CD2-CH2 3.99Å; F189-W214 HydrophobicContact CD2-CH2 3.99Å; F189-W214 AromaticContact CD2-CZ3 3.76Å; F189-W214 HydrophobicContact CD2-CZ3 3.76Å; F189-W214 HydrophobicContact CG-CH2 4.23Å; F189-W214 HydrophobicContact CG-CZ3 4.43Å |
| 190 | D | 96.9 | Very high | 96 | Very high | 60 Ų | 60 | 57.2 Ų | 57.2 | 32% | 0.321 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 179.1 | -69.1 | -19.7 | 0 | 0 | 0 | 110.8 | I186 E187 L188 L192 S193 L194 K204 | I186-D190 PolarHBondContact O-N 3.48Å; E187-D190 PolarHBondContact O-N 2.93Å; L188-D190 VanDerWaalsContact C-N 3.34Å; L188-D190 PolarHBondContact O-N 3.22Å; D190-L192 PolarHBondContact O-N 2.96Å; D190-S193 WeakPolarHBondContact CA-OG 3.45Å; D190-S193 PolarHBondContact O-N 3.48Å; D190-S193 PolarHBondContact O-OG 2.86Å; D190-L194 WeakPolarHBondContact O-CG 3.26Å; D190-L194 PolarHBondContact O-N 3.49Å; D190-L194 VanDerWaalsContact O-N 3.09Å; D190-K204 WeakPolarHBondContact OD1-CE 3.44Å; D190-K204 IonicContact OD1-NZ 2.68Å; D190-K204 PolarHBondContact OD1-NZ 2.95Å; D190-K204 IonicContact OD2-NZ 2.72Å; D190-K204 PolarHBondContact OD2-NZ 3Å |
| 191 | K | 96.9 | Very high | 95.9 | Very high | 111 Ų | 111 | 54.6 Ų | 54.6 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 174 | -74.6 | 176.5 | -176.4 | 167.6 | 0 | 112.8 | E187 L188 F189 R195 | E187-K191 HydrophobicContact CG-CD 4.49Å; E187-K191 WeakPolarHBondContact O-CG 3.36Å; E187-K191 PolarHBondContact O-N 3.32Å; E187-K191 WeakPolarHBondContact OE1-CE 3.26Å; E187-K191 IonicContact OE1-NZ 2.96Å; E187-K191 PolarHBondContact OE1-NZ 2.84Å; L188-K191 PolarHBondContact O-N 3.02Å; F189-K191 PolarHBondContact O-N 3.38Å; K191-R195 WeakPolarHBondContact O-CB 3.44Å; K191-R195 PolarHBondContact O-N 3.2Å |
| 192 | L | 97.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 179.6 | -70.6 | 173.2 | 0 | 0 | 0 | 111.6 | L188 F189 D190 L194 R195 F196 F202 W214 I249 Y250 T253 | L188-L192 HydrophobicContact CD1-CD1 3.99Å; L188-L192 HydrophobicContact CD1-CG 4.03Å; L188-L192 HydrophobicContact CG-CD1 3.91Å; L188-L192 HydrophobicContact CG-CG 4.37Å; L188-L192 WeakPolarHBondContact O-CB 3.5Å; L188-L192 VanDerWaalsContact O-CG 3.26Å; L188-L192 WeakPolarHBondContact O-CG 3.42Å; L188-L192 PolarHBondContact O-N 3.39Å; F189-L192 PolarHBondContact O-N 2.69Å; D190-L192 PolarHBondContact O-N 2.96Å; L192-L194 VanDerWaalsContact C-N 3.31Å; L192-L194 PolarHBondContact O-N 3.18Å; L192-R195 PolarHBondContact O-N 3.2Å; L192-F196 HydrophobicContact CD2-CD2 4.13Å; L192-F196 HydrophobicContact CD2-CE2 3.72Å; L192-F196 WeakPolarHBondContact O-CD2 3.4Å; L192-F196 PolarHBondContact O-N 2.81Å; L192-F202 VanDerWaalsContact C-CZ 3.48Å; L192-F202 HydrophobicContact CB-CE1 3.7Å; L192-F202 HydrophobicContact CB-CZ 3.85Å; L192-F202 WeakPolarHBondContact O-CZ 3.42Å; L192-W214 HydrophobicContact CD1-CH2 4Å; L192-W214 HydrophobicContact CD1-CZ3 3.95Å; L192-I249 HydrophobicContact CD1-CG2 4.3Å; L192-Y250 HydrophobicContact CD2-CD1 3.92Å; L192-Y250 HydrophobicContact CD2-CE1 3.54Å; L192-Y250 HydrophobicContact CG-CE1 4.44Å; L192-T253 HydrophobicContact CD1-CG2 4.26Å; L192-T253 HydrophobicContact CD2-CG2 4.13Å |
| 193 | S | 97 | Very high | 95.9 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 177.9 | 70.9 | 0 | 0 | 0 | 0 | 113 | F189 D190 N197 F202 | F189-S193 WeakPolarHBondContact O-CB 3.46Å; F189-S193 PolarHBondContact O-N 2.72Å; F189-S193 PolarHBondContact O-OG 3.48Å; D190-S193 WeakPolarHBondContact CA-OG 3.45Å; D190-S193 PolarHBondContact O-N 3.48Å; D190-S193 PolarHBondContact O-OG 2.86Å; S193-N197 WeakPolarHBondContact O-CA 3.36Å; S193-N197 WeakPolarHBondContact O-CB 3.11Å; S193-N197 PolarHBondContact O-N 2.92Å; S193-N197 VanDerWaalsContact O-N 3.15Å; S193-F202 VanDerWaalsContact CA-CD2 3.49Å |
| 194 | L | 95 | Very high | 95.9 | Very high | 117 Ų | 117 | 50.3 Ų | 50.3 | 61% | 0.613 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -69.2 | -45.4 | 172.7 | -68.7 | 172 | 0 | 0 | 0 | 111.5 | C138 D190 L192 F196 N197 | C138-L194 HydrophobicContact CB-CD2 3.96Å; D190-L194 WeakPolarHBondContact O-CG 3.26Å; D190-L194 PolarHBondContact O-N 3.49Å; D190-L194 VanDerWaalsContact O-N 3.09Å; L192-L194 VanDerWaalsContact C-N 3.31Å; L192-L194 PolarHBondContact O-N 3.18Å; L194-F196 PolarHBondContact O-N 3.4Å; L194-N197 WeakPolarHBondContact O-CB 3.22Å; L194-N197 PolarHBondContact O-N 2.9Å |
| 195 | R | 94.8 | Very high | 95.7 | Very high | 189 Ų | 189 | 46.2 Ų | 46.2 | 71% | 0.713 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -65.8 | -38.1 | -176 | -177.9 | 172.3 | -177.7 | 143.8 | 0.3 | 113.4 | K191 L192 | K191-R195 WeakPolarHBondContact O-CB 3.44Å; K191-R195 PolarHBondContact O-N 3.2Å; L192-R195 PolarHBondContact O-N 3.2Å |
| 196 | F | 94.4 | Very high | 95.2 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 22 | -177.9 | -60.6 | -73.4 | 0 | 0 | 0 | 112.2 | L192 L194 G198 R199 V200 F202 T253 L254 L257 | L192-F196 HydrophobicContact CD2-CD2 4.13Å; L192-F196 HydrophobicContact CD2-CE2 3.72Å; L192-F196 WeakPolarHBondContact O-CD2 3.4Å; L192-F196 PolarHBondContact O-N 2.81Å; L194-F196 PolarHBondContact O-N 3.4Å; F196-G198 PolarHBondContact O-N 2.82Å; F196-R199 PolarHBondContact O-N 3.11Å; F196-R199 VanDerWaalsContact O-N 3.09Å; F196-V200 HydrophobicContact CB-CB 4.19Å; F196-V200 HydrophobicContact CB-CG2 4.05Å; F196-V200 PolarHBondContact O-N 3.12Å; F196-V200 VanDerWaalsContact O-N 3.08Å; F196-F202 HydrophobicContact CB-CE2 3.93Å; F196-F202 HydrophobicContact CB-CZ 4.23Å; F196-F202 HydrophobicContact CD2-CZ 4.44Å; F196-T253 HydrophobicContact CD2-CG2 4.12Å; F196-T253 HydrophobicContact CE2-CG2 4.02Å; F196-L254 HydrophobicContact CZ-CD2 3.92Å; F196-L257 HydrophobicContact CD1-CD1 4.26Å; F196-L257 HydrophobicContact CD1-CD2 4.2Å; F196-L257 HydrophobicContact CE1-CD1 3.77Å; F196-L257 HydrophobicContact CZ-CD1 4.4Å |
| 197 | N | 91.5 | Very high | 94.5 | Very high | 76 Ų | 76 | 51 Ų | 51 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 139.3 | 176.6 | -175.7 | 51.8 | 0 | 0 | 0 | 110.9 | L137 S193 L194 R199 | L137-N197 PolarHBondContact O-ND2 2.85Å; L137-N197 PolarHBondContact O-OD1 3.5Å; S193-N197 WeakPolarHBondContact O-CA 3.36Å; S193-N197 WeakPolarHBondContact O-CB 3.11Å; S193-N197 PolarHBondContact O-N 2.92Å; S193-N197 VanDerWaalsContact O-N 3.15Å; L194-N197 WeakPolarHBondContact O-CB 3.22Å; L194-N197 PolarHBondContact O-N 2.9Å; N197-R199 PolarHBondContact O-N 3.2Å; N197-R199 VanDerWaalsContact O-N 3.16Å |
| 198 | G | 88.4 | Confident | 93.7 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 45% | 0.454 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -25.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K158 F196 | K158-G198 VanDerWaalsContact CE-O 3.24Å; K158-G198 WeakPolarHBondContact CE-O 3.48Å; K158-G198 PolarHBondContact NZ-O 2.97Å; F196-G198 PolarHBondContact O-N 2.82Å |
| 199 | R | 92.6 | Very high | 93.2 | Very high | 125 Ų | 125 | 52.9 Ų | 52.9 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -45.4 | -179.3 | -69.7 | -178.2 | 66 | 175 | 5 | 113.6 | K158 F196 N197 E260 | K158-R199 WeakPolarHBondContact CB-O 3.42Å; F196-R199 PolarHBondContact O-N 3.11Å; F196-R199 VanDerWaalsContact O-N 3.09Å; N197-R199 PolarHBondContact O-N 3.2Å; N197-R199 VanDerWaalsContact O-N 3.16Å; R199-E260 WeakPolarHBondContact CB-OE1 3.35Å; R199-E260 IonicContact CZ-OE1 3.42Å; R199-E260 VanDerWaalsContact CZ-OE1 3.26Å; R199-E260 IonicContact CZ-OE2 2.72Å; R199-E260 IonicContact NE-OE1 2.8Å; R199-E260 PolarHBondContact NE-OE1 2.9Å; R199-E260 IonicContact NE-OE2 3.81Å; R199-E260 PolarHBondContact NE-OE2 2.96Å; R199-E260 IonicContact NH2-OE1 2.69Å; R199-E260 PolarHBondContact NH2-OE1 2.82Å; R199-E260 IonicContact NH2-OE2 2.99Å; R199-E260 PolarHBondContact NH2-OE2 2.85Å |
| 200 | V | 94.5 | Very high | 92.8 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -113.6 | 140.2 | -178.4 | 174.4 | 0 | 0 | 0 | 0 | 109 | P159 V161 F196 F202 I256 L257 | P159-V200 HydrophobicContact CG-CG2 4.12Å; P159-V200 WeakPolarHBondContact O-CA 3.23Å; P159-V200 WeakPolarHBondContact O-CG1 3.32Å; V161-V200 HydrophobicContact CB-CG1 4.39Å; V161-V200 HydrophobicContact CG2-CG1 3.77Å; F196-V200 HydrophobicContact CB-CB 4.19Å; F196-V200 HydrophobicContact CB-CG2 4.05Å; F196-V200 PolarHBondContact O-N 3.12Å; F196-V200 VanDerWaalsContact O-N 3.08Å; V200-F202 HydrophobicContact CB-CD2 4.12Å; V200-F202 HydrophobicContact CB-CE2 3.54Å; V200-F202 HydrophobicContact CB-CZ 4.23Å; V200-F202 HydrophobicContact CG1-CD2 3.84Å; V200-F202 HydrophobicContact CG1-CE2 3.45Å; V200-F202 VanDerWaalsContact CG1-CE2 3.45Å; V200-F202 HydrophobicContact CG1-CZ 3.83Å; V200-I256 HydrophobicContact CG1-CD1 3.65Å; V200-I256 HydrophobicContact CG2-CD1 3.99Å; V200-L257 HydrophobicContact CG2-CD2 3.44Å; V200-L257 VanDerWaalsContact CG2-CD2 3.44Å |
| 201 | L | 95.6 | Very high | 92.6 | Very high | 31 Ų | 31 | 54.6 Ų | 54.6 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 119.9 | 170.3 | 176.6 | 61.5 | 0 | 0 | 0 | 109.6 | L152 K158 P159 T160 V161 I203 | L152-L201 HydrophobicContact CD1-CD2 4.41Å; L152-L201 HydrophobicContact CD2-CD2 4.34Å; L152-L201 HydrophobicContact CG-CD2 3.98Å; K158-L201 HydrophobicContact CB-CB 4.31Å; P159-L201 PolarHBondContact O-N 3.47Å; T160-L201 CarbonylContact C-O 3.48Å; T160-L201 VanDerWaalsContact CA-O 3.23Å; T160-L201 WeakPolarHBondContact CA-O 3.4Å; T160-L201 HydrophobicContact CG2-CB 4.27Å; T160-L201 HydrophobicContact CG2-CD2 4.21Å; T160-L201 HydrophobicContact CG2-CG 4.14Å; T160-L201 WeakPolarHBondContact CG2-O 3.27Å; V161-L201 PolarHBondContact N-O 3.15Å; L201-I203 HydrophobicContact CD2-CD1 4.14Å; L201-I203 HydrophobicContact CD2-CG1 4.46Å; L201-I203 HydrophobicContact CG-CD1 4.29Å; L201-I203 HydrophobicContact CG-CG1 4.11Å |
| 202 | F | 97.3 | Very high | 92.5 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.3 | 177 | -76.5 | -95.3 | 0 | 0 | 0 | 110.7 | V140 P141 V161 F189 L192 S193 F196 V200 | V140-F202 HydrophobicContact CG2-CB 4.31Å; P141-F202 WeakPolarHBondContact CD-O 3.33Å; V161-F202 HydrophobicContact CB-CD1 3.79Å; V161-F202 HydrophobicContact CB-CE1 3.75Å; V161-F202 HydrophobicContact CB-CZ 4.47Å; V161-F202 HydrophobicContact CG1-CD1 4.12Å; V161-F202 HydrophobicContact CG1-CE1 4.01Å; V161-F202 HydrophobicContact CG2-CD1 4.46Å; V161-F202 HydrophobicContact CG2-CE1 3.97Å; V161-F202 HydrophobicContact CG2-CZ 4.28Å; V161-F202 CarbonylContact O-C 3.56Å; V161-F202 WeakPolarHBondContact O-CA 3.47Å; F189-F202 HydrophobicContact CD2-CD1 4.14Å; F189-F202 HydrophobicContact CE1-CB 4.2Å; F189-F202 HydrophobicContact CE1-CD1 4.44Å; F189-F202 HydrophobicContact CE2-CB 4.27Å; F189-F202 AromaticContact CE2-CD1 3.74Å; F189-F202 HydrophobicContact CE2-CD1 3.74Å; F189-F202 HydrophobicContact CZ-CB 3.67Å; F189-F202 AromaticContact CZ-CD1 3.92Å; F189-F202 HydrophobicContact CZ-CD1 3.92Å; F189-F202 HydrophobicContact CZ-CG 4.29Å; L192-F202 VanDerWaalsContact C-CZ 3.48Å; L192-F202 HydrophobicContact CB-CE1 3.7Å; L192-F202 HydrophobicContact CB-CZ 3.85Å; L192-F202 WeakPolarHBondContact O-CZ 3.42Å; S193-F202 VanDerWaalsContact CA-CD2 3.49Å; F196-F202 HydrophobicContact CB-CE2 3.93Å; F196-F202 HydrophobicContact CB-CZ 4.23Å; F196-F202 HydrophobicContact CD2-CZ 4.44Å; V200-F202 HydrophobicContact CB-CD2 4.12Å; V200-F202 HydrophobicContact CB-CE2 3.54Å; V200-F202 HydrophobicContact CB-CZ 4.23Å; V200-F202 HydrophobicContact CG1-CD2 3.84Å; V200-F202 HydrophobicContact CG1-CE2 3.45Å; V200-F202 VanDerWaalsContact CG1-CE2 3.45Å; V200-F202 HydrophobicContact CG1-CZ 3.83Å |
| 203 | I | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.4 | -176.3 | -60.4 | 174.3 | 0 | 0 | 0 | 110.5 | M143 L152 I153 T160 V161 K162 L163 F189 L201 | M143-I203 HydrophobicContact CG-CG2 3.16Å; M143-I203 HydrophobicContact SD-CG2 3.36Å; M143-I203 WeakPolarHBondContact SD-CG2 3.44Å; L152-I203 HydrophobicContact CD2-CD1 3.62Å; L152-I203 HydrophobicContact CD2-CG1 3.97Å; L152-I203 HydrophobicContact CG-CD1 4.24Å; I153-I203 HydrophobicContact CG1-CD1 4.17Å; T160-I203 HydrophobicContact CG2-CD1 3.43Å; T160-I203 VanDerWaalsContact CG2-CD1 3.43Å; T160-I203 HydrophobicContact CG2-CG1 4Å; V161-I203 PolarHBondContact O-N 2.92Å; K162-I203 CarbonylContact C-O 3.55Å; K162-I203 WeakPolarHBondContact CA-O 3.27Å; K162-I203 HydrophobicContact CB-CB 4.38Å; K162-I203 HydrophobicContact CG-CB 4.26Å; K162-I203 HydrophobicContact CG-CG2 4.16Å; L163-I203 PolarHBondContact N-O 3.48Å; F189-I203 WeakPolarHBondContact CE2-O 3.39Å; F189-I203 VanDerWaalsContact CZ-O 3.27Å; F189-I203 WeakPolarHBondContact CZ-O 3.21Å; L201-I203 HydrophobicContact CD2-CD1 4.14Å; L201-I203 HydrophobicContact CD2-CG1 4.46Å; L201-I203 HydrophobicContact CG-CD1 4.29Å; L201-I203 HydrophobicContact CG-CG1 4.11Å |
| 204 | K | 96.3 | Very high | 92.5 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 14% | 0.143 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.6 | 168.7 | -74.1 | -177.1 | 179 | -178.4 | 0 | 110.1 | V140 P141 L142 M143 L163 Y165 F189 D190 | V140-K204 HydrophobicContact CG1-CB 4.49Å; V140-K204 HydrophobicContact CG1-CD 4.29Å; V140-K204 HydrophobicContact CG1-CG 3.93Å; P141-K204 PolarHBondContact O-N 2.91Å; L142-K204 CarbonylContact C-O 3.49Å; L142-K204 WeakPolarHBondContact CA-O 3.3Å; L142-K204 HydrophobicContact CD1-CB 3.73Å; M143-K204 PolarHBondContact N-O 2.83Å; L163-K204 WeakPolarHBondContact O-CA 3.44Å; Y165-K204 HydrophobicContact CE1-CB 4.2Å; Y165-K204 HydrophobicContact CE1-CD 4.08Å; Y165-K204 HydrophobicContact CE1-CG 4.17Å; F189-K204 HydrophobicContact CD1-CD 4.47Å; F189-K204 VanDerWaalsContact CD1-CE 3.41Å; F189-K204 HydrophobicContact CD1-CG 4.19Å; F189-K204 HydrophobicContact CE1-CD 4.16Å; F189-K204 VanDerWaalsContact CE1-CE 3.47Å; F189-K204 HydrophobicContact CE1-CG 3.6Å; F189-K204 HydrophobicContact CZ-CG 3.89Å; D190-K204 WeakPolarHBondContact OD1-CE 3.44Å; D190-K204 IonicContact OD1-NZ 2.68Å; D190-K204 PolarHBondContact OD1-NZ 2.95Å; D190-K204 IonicContact OD2-NZ 2.72Å; D190-K204 PolarHBondContact OD2-NZ 3Å |
| 205 | D | 94 | Very high | 92.6 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.8 | 177.6 | 179.3 | -3.5 | 0 | 0 | 0 | 109.6 | M143 K162 L163 L164 Y165 I207 G208 | M143-D205 HydrophobicContact CB-CB 4.43Å; M143-D205 HydrophobicContact CG-CB 4.49Å; K162-D205 HydrophobicContact CD-CB 3.96Å; K162-D205 HydrophobicContact CG-CB 4.09Å; K162-D205 IonicContact NZ-OD2 2.96Å; K162-D205 PolarHBondContact NZ-OD2 2.92Å; L163-D205 PolarHBondContact O-N 3Å; L164-D205 VanDerWaalsContact CA-O 3.28Å; L164-D205 WeakPolarHBondContact CA-O 3.47Å; L164-D205 HydrophobicContact CB-CB 4.17Å; L164-D205 HydrophobicContact CG-CB 4.4Å; Y165-D205 PolarHBondContact N-O 3.42Å; D205-I207 WeakPolarHBondContact OD1-CG1 3.45Å; D205-I207 PolarHBondContact OD1-N 2.88Å; D205-G208 PolarHBondContact OD1-N 3.43Å |
| 206 | V | 86.8 | Confident | 92.7 | Very high | 53 Ų | 53 | 34.8 Ų | 34.8 | 32% | 0.321 | 19% | 0.187 | S | C | . | . | trans | -113 | 2.7 | -177.8 | -67 | 0 | 0 | 0 | 0 | 112.9 | L142 Y165 | L142-V206 HydrophobicContact CD1-CB 4.41Å; L142-V206 HydrophobicContact CD1-CG1 3.64Å; L142-V206 HydrophobicContact CD1-CG2 3.91Å; L142-V206 HydrophobicContact CD2-CG2 4.39Å; L142-V206 HydrophobicContact CG-CG2 4.14Å; Y165-V206 HydrophobicContact CE1-CG1 4.03Å; Y165-V206 HydrophobicContact CE2-CG1 4.19Å | ||
| 207 | I | 83.2 | Confident | 92.7 | Very high | 83 Ų | 83 | 35 Ų | 35 | 43% | 0.426 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -108.1 | -15.4 | -174.8 | 58.6 | 159.8 | 0 | 0 | 0 | 113.2 | S145 D205 | S145-I207 VanDerWaalsContact CA-CD1 3.42Å; D205-I207 WeakPolarHBondContact OD1-CG1 3.45Å; D205-I207 PolarHBondContact OD1-N 2.88Å |
| 208 | G | 82.8 | Confident | 92.8 | Very high | 16 Ų | 16 | 31.5 Ų | 31.5 | 17% | 0.165 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -65.5 | 156.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | N166 D205 E210 | N166-G208 PolarHBondContact ND2-O 3.26Å; D205-G208 PolarHBondContact OD1-N 3.43Å; G208-E210 VanDerWaalsContact C-N 3.34Å |
| 209 | D | 86.3 | Confident | 92.7 | Very high | 132 Ų | 132 | 35.3 Ų | 35.3 | 71% | 0.706 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -81.9 | -11.2 | -177 | -170.2 | 41 | 0 | 0 | 0 | 113.5 | N169 | N169-D209 PolarHBondContact ND2-O 3.23Š|
| 210 | E | 89.8 | Confident | 92.5 | Very high | 88 Ų | 88 | 31 Ų | 31 | 41% | 0.411 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -77.6 | 163.6 | 172 | -66.9 | -172.4 | -176.2 | 0 | 0 | 111.2 | L164 N166 G208 C213 | L164-E210 HydrophobicContact CD1-CB 4.15Å; L164-E210 HydrophobicContact CD2-CB 3.77Å; L164-E210 WeakPolarHBondContact CD2-O 3.49Å; N166-E210 WeakPolarHBondContact CB-O 3.46Å; G208-E210 VanDerWaalsContact C-N 3.34Å; E210-C213 WeakPolarHBondContact OE2-CB 3.33Å; E210-C213 PolarHBondContact OE2-SG 2.95Å |
| 211 | I | 93 | Very high | 92.2 | Very high | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.046 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -88.1 | -49.3 | 179.3 | -76.3 | 161.9 | 0 | 0 | 0 | 111.6 | Y165 N166 N169 K171 Y172 M182 T229 T240 V242 | Y165-I211 CarbonylContact C-O 3.52Å; Y165-I211 VanDerWaalsContact CA-O 3.3Å; Y165-I211 WeakPolarHBondContact CA-O 3.43Å; N166-I211 PolarHBondContact N-O 3.03Å; N169-I211 HydrophobicContact CB-CD1 4.43Å; N169-I211 HydrophobicContact CB-CG1 3.67Å; K171-I211 HydrophobicContact CB-CD1 4.12Å; Y172-I211 HydrophobicContact CD2-CG2 3.59Å; Y172-I211 HydrophobicContact CE2-CG2 4.08Å; M182-I211 HydrophobicContact CE-CG2 4.04Å; I211-T229 HydrophobicContact CB-CG2 3.85Å; I211-T229 HydrophobicContact CG2-CG2 4.02Å; I211-T240 VanDerWaalsContact CD1-CB 3.46Å; I211-T240 HydrophobicContact CD1-CG2 3.63Å; I211-V242 HydrophobicContact CG2-CG2 3.45Å; I211-V242 VanDerWaalsContact CG2-CG2 3.45Å |
| 212 | C | 95.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 117.9 | -179.6 | -169 | 0 | 0 | 0 | 0 | 109.4 | L164 M182 C228 T229 V242 | L164-C212 CarbonylContact O-C 3.53Å; L164-C212 VanDerWaalsContact O-CA 3.26Å; L164-C212 WeakPolarHBondContact O-CA 3.24Å; M182-C212 HydrophobicContact CE-CB 4.07Å; M182-C212 HydrophobicContact SD-CB 4.23Å; C212-C228 HydrophobicContact CB-CB 3.92Å; C212-C228 WeakPolarHBondContact O-CB 3.35Å; C212-C228 PolarHBondContact O-N 2.84Å; C212-T229 HydrophobicContact CB-CG2 4.43Å; C212-V242 HydrophobicContact CB-CG1 4.07Å; C212-V242 HydrophobicContact CB-CG2 4.34Å |
| 213 | C | 96.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 133.2 | -175.9 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | L164 E210 | L164-C213 HydrophobicContact CB-CB 4.43Å; L164-C213 PolarHBondContact N-O 3.41Å; L164-C213 PolarHBondContact O-N 2.95Å; E210-C213 WeakPolarHBondContact OE2-CB 3.33Å; E210-C213 PolarHBondContact OE2-SG 2.95Å |
| 214 | W | 98 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.9 | 170.1 | -66.4 | 69.5 | 0 | 0 | 0 | 109.1 | V161 K162 L163 N185 L188 F189 L192 F216 E225 V226 I249 | V161-W214 HydrophobicContact CG1-CE3 3.63Å; V161-W214 HydrophobicContact CG1-CZ3 3.83Å; K162-W214 CarbonylContact O-C 3.57Å; K162-W214 WeakPolarHBondContact O-CA 3.4Å; L163-W214 HydrophobicContact CD1-CD2 4.13Å; L163-W214 HydrophobicContact CD1-CG 4.18Å; L163-W214 HydrophobicContact CD1-CZ2 4.36Å; L163-W214 HydrophobicContact CD2-CZ2 4.49Å; N185-W214 VanDerWaalsContact O-CZ2 3.3Å; N185-W214 WeakPolarHBondContact O-CZ2 3.42Å; N185-W214 PolarHBondContact OD1-NE1 3.48Å; L188-W214 HydrophobicContact CB-CH2 4.38Å; L188-W214 HydrophobicContact CB-CZ2 4.35Å; L188-W214 HydrophobicContact CD2-CH2 4.4Å; L188-W214 HydrophobicContact CD2-CZ2 4.31Å; L188-W214 HydrophobicContact CG-CH2 4.09Å; L188-W214 HydrophobicContact CG-CZ2 4.32Å; F189-W214 VanDerWaalsContact CA-CH2 3.41Å; F189-W214 HydrophobicContact CB-CH2 3.49Å; F189-W214 VanDerWaalsContact CB-CH2 3.49Å; F189-W214 HydrophobicContact CB-CZ2 3.97Å; F189-W214 HydrophobicContact CB-CZ3 4.14Å; F189-W214 HydrophobicContact CD2-CE3 4.35Å; F189-W214 AromaticContact CD2-CH2 3.99Å; F189-W214 HydrophobicContact CD2-CH2 3.99Å; F189-W214 AromaticContact CD2-CZ3 3.76Å; F189-W214 HydrophobicContact CD2-CZ3 3.76Å; F189-W214 HydrophobicContact CG-CH2 4.23Å; F189-W214 HydrophobicContact CG-CZ3 4.43Å; L192-W214 HydrophobicContact CD1-CH2 4Å; L192-W214 HydrophobicContact CD1-CZ3 3.95Å; W214-F216 HydrophobicContact CB-CE2 3.71Å; W214-F216 HydrophobicContact CB-CZ 3.88Å; W214-F216 HydrophobicContact CE3-CZ 4.34Å; W214-E225 CarbonylContact O-C 3.56Å; W214-E225 WeakPolarHBondContact O-CA 3.46Å; W214-V226 HydrophobicContact CB-CB 4.25Å; W214-V226 PolarHBondContact N-O 3.18Å; W214-V226 PolarHBondContact O-N 3.29Å; W214-I249 HydrophobicContact CD2-CD1 4.41Å; W214-I249 HydrophobicContact CD2-CG1 4.27Å; W214-I249 HydrophobicContact CD2-CG2 3.65Å; W214-I249 HydrophobicContact CE3-CG2 3.6Å; W214-I249 HydrophobicContact CG-CD1 4.45Å; W214-I249 HydrophobicContact CG-CG1 4.19Å; W214-I249 HydrophobicContact CG-CG2 4.34Å; W214-I249 HydrophobicContact CH2-CG2 3.63Å; W214-I249 HydrophobicContact CZ2-CD1 4.2Å; W214-I249 HydrophobicContact CZ2-CG2 3.74Å; W214-I249 HydrophobicContact CZ3-CG2 3.59Å |
| 215 | S | 96.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.1 | 178.8 | -69.7 | 0 | 0 | 0 | 0 | 109.8 | K162 K222 | K162-S215 PolarHBondContact N-O 3.3Å; K162-S215 PolarHBondContact O-N 3.49Å; S215-K222 WeakPolarHBondContact OG-CE 3.16Å; S215-K222 PolarHBondContact OG-NZ 3.18Å |
| 216 | F | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.1 | -172.1 | -61 | -87.7 | 0 | 0 | 0 | 108.9 | V161 W214 I223 A224 V226 E252 I256 | V161-F216 HydrophobicContact CG1-CE1 4.2Å; V161-F216 HydrophobicContact CG2-CD1 4.08Å; V161-F216 HydrophobicContact CG2-CE1 4.22Å; W214-F216 HydrophobicContact CB-CE2 3.71Å; W214-F216 HydrophobicContact CB-CZ 3.88Å; W214-F216 HydrophobicContact CE3-CZ 4.34Å; F216-I223 HydrophobicContact CB-CG1 4.03Å; F216-I223 WeakPolarHBondContact O-CG1 3.05Å; F216-I223 PolarHBondContact O-N 3.01Å; F216-A224 HydrophobicContact CB-CB 4.13Å; F216-A224 HydrophobicContact CD2-CB 4.09Å; F216-A224 HydrophobicContact CG-CB 4.45Å; F216-A224 PolarHBondContact N-O 3.08Å; F216-A224 PolarHBondContact O-N 3.11Å; F216-V226 HydrophobicContact CE2-CB 4.39Å; F216-V226 HydrophobicContact CE2-CG2 3.81Å; F216-V226 HydrophobicContact CZ-CG2 4.49Å; F216-E252 HydrophobicContact CD1-CB 3.94Å; F216-E252 HydrophobicContact CD2-CB 3.87Å; F216-E252 HydrophobicContact CD2-CG 4.48Å; F216-E252 HydrophobicContact CE1-CB 3.68Å; F216-E252 HydrophobicContact CE2-CB 3.61Å; F216-E252 HydrophobicContact CE2-CG 4.28Å; F216-E252 HydrophobicContact CG-CB 4.04Å; F216-E252 HydrophobicContact CZ-CB 3.51Å; F216-I256 HydrophobicContact CB-CG2 3.65Å; F216-I256 HydrophobicContact CD1-CG2 3.9Å; F216-I256 HydrophobicContact CG-CG2 4.21Å |
| 217 | Y | 94.9 | Very high | 92.3 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 8% | 0.078 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 136.6 | -176.9 | -53 | -108.6 | 0 | 0 | 0 | 110.8 | E149 I153 P159 T160 K162 R221 K222 | E149-Y217 PolarHBondContact OE1-OH 3.37Å; I153-Y217 HydrophobicContact CD1-CD1 3.96Å; I153-Y217 HydrophobicContact CD1-CD2 4.18Å; I153-Y217 HydrophobicContact CD1-CE1 3.64Å; I153-Y217 HydrophobicContact CD1-CE2 3.91Å; I153-Y217 HydrophobicContact CD1-CG 4.23Å; I153-Y217 HydrophobicContact CG2-CD1 3.75Å; I153-Y217 HydrophobicContact CG2-CE1 4.35Å; I153-Y217 HydrophobicContact CG2-CG 4.1Å; P159-Y217 WeakPolarHBondContact CA-O 3.42Å; T160-Y217 HydrophobicContact CG2-CD2 4.46Å; T160-Y217 PolarHBondContact N-O 2.88Å; T160-Y217 PolarHBondContact O-N 3.04Å; K162-Y217 HydrophobicContact CB-CE2 4.07Å; Y217-R221 CarbonylContact C-O 3.53Å; Y217-R221 WeakPolarHBondContact CA-O 3.43Å; Y217-R221 WeakPolarHBondContact CB-O 3.22Å; Y217-K222 HydrophobicContact CD1-CB 3.8Å; Y217-K222 HydrophobicContact CD1-CG 4.19Å; Y217-K222 HydrophobicContact CE1-CB 3.69Å; Y217-K222 HydrophobicContact CE1-CD 4.37Å; Y217-K222 HydrophobicContact CE1-CG 3.87Å |
| 218 | G | 91.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | G220 R221 | G218-G220 PolarHBondContact O-N 3.5Å; G218-R221 PolarHBondContact N-O 2.95Å; G218-R221 PolarHBondContact O-N 2.85Å; G218-R221 VanDerWaalsContact O-O 3.12Å |
| 219 | Q | 88 | Confident | 93.4 | Very high | 125 Ų | 125 | 36.4 Ų | 36.4 | 58% | 0.584 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 41.2 | -179.9 | -57.7 | 175 | -35 | 0 | 0 | 113.7 | R221 Y259 | Q219-R221 PolarHBondContact O-N 2.89Å; Q219-Y259 HydrophobicContact CG-CD1 4.34Å |
| 220 | G | 86.8 | Confident | 93.5 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 34% | 0.34 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 4.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G218 | G218-G220 PolarHBondContact O-N 3.5Š|
| 221 | R | 89.5 | Confident | 93.2 | Very high | 196 Ų | 196 | 31.7 Ų | 31.7 | 74% | 0.74 | 16% | 0.158 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 145.3 | -179.8 | -63.6 | -179.8 | 179.1 | 179.9 | -1.2 | 111.1 | Y217 G218 Q219 I223 | Y217-R221 CarbonylContact C-O 3.53Å; Y217-R221 WeakPolarHBondContact CA-O 3.43Å; Y217-R221 WeakPolarHBondContact CB-O 3.22Å; G218-R221 PolarHBondContact N-O 2.95Å; G218-R221 PolarHBondContact O-N 2.85Å; G218-R221 VanDerWaalsContact O-O 3.12Å; Q219-R221 PolarHBondContact O-N 2.89Å; R221-I223 PolarHBondContact O-N 3.46Å |
| 222 | K | 92.9 | Very high | 92.4 | Very high | 63 Ų | 63 | 33.6 Ų | 33.6 | 27% | 0.274 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 125.2 | 174.9 | -161.1 | 179.2 | -154.9 | -175.4 | 0 | 109.2 | S215 Y217 E225 V295 | S215-K222 WeakPolarHBondContact OG-CE 3.16Å; S215-K222 PolarHBondContact OG-NZ 3.18Å; Y217-K222 HydrophobicContact CD1-CB 3.8Å; Y217-K222 HydrophobicContact CD1-CG 4.19Å; Y217-K222 HydrophobicContact CE1-CB 3.69Å; Y217-K222 HydrophobicContact CE1-CD 4.37Å; Y217-K222 HydrophobicContact CE1-CG 3.87Å; K222-E225 WeakPolarHBondContact CE-OE2 3.16Å; K222-E225 IonicContact NZ-OE2 2.74Å; K222-E225 PolarHBondContact NZ-OE2 2.8Å; K222-V295 HydrophobicContact CB-CG2 4.41Å; K222-V295 HydrophobicContact CD-CG1 4.25Å; K222-V295 HydrophobicContact CG-CG1 4.21Å |
| 223 | I | 92.6 | Very high | 91.3 | Very high | 21 Ų | 21 | 41 Ų | 41 | 11% | 0.108 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -32.8 | -178.9 | 64.3 | 167.3 | 0 | 0 | 0 | 112.6 | F216 R221 I256 Y259 R296 | F216-I223 HydrophobicContact CB-CG1 4.03Å; F216-I223 WeakPolarHBondContact O-CG1 3.05Å; F216-I223 PolarHBondContact O-N 3.01Å; R221-I223 PolarHBondContact O-N 3.46Å; I223-I256 HydrophobicContact CD1-CG2 3.6Å; I223-I256 HydrophobicContact CG1-CG2 4.29Å; I223-Y259 HydrophobicContact CD1-CD2 3.89Å; I223-Y259 HydrophobicContact CD1-CE2 3.42Å; I223-Y259 VanDerWaalsContact CD1-CE2 3.42Å; I223-Y259 HydrophobicContact CG2-CE1 4.45Å; I223-R296 PolarHBondContact O-N 2.91Å |
| 224 | A | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 159.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F216 E252 R296 | F216-A224 HydrophobicContact CB-CB 4.13Å; F216-A224 HydrophobicContact CD2-CB 4.09Å; F216-A224 HydrophobicContact CG-CB 4.45Å; F216-A224 PolarHBondContact N-O 3.08Å; F216-A224 PolarHBondContact O-N 3.11Å; A224-E252 HydrophobicContact CB-CG 4.4Å; A224-E252 WeakPolarHBondContact CB-OE2 3.47Å; A224-R296 CarbonylContact C-O 3.1Å; A224-R296 WeakPolarHBondContact CA-O 3.25Å; A224-R296 HydrophobicContact CB-CB 4.11Å |
| 225 | E | 96.1 | Very high | 88.2 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 143.1 | 168.1 | 65.2 | -170.6 | -160.9 | 0 | 0 | 110.9 | W214 K222 R296 R297 I298 | W214-E225 CarbonylContact O-C 3.56Å; W214-E225 WeakPolarHBondContact O-CA 3.46Å; K222-E225 WeakPolarHBondContact CE-OE2 3.16Å; K222-E225 IonicContact NZ-OE2 2.74Å; K222-E225 PolarHBondContact NZ-OE2 2.8Å; E225-R296 PolarHBondContact N-O 3.48Å; E225-R297 HydrophobicContact CG-CB 4.22Å; E225-R297 HydrophobicContact CG-CG 3.86Å; E225-R297 WeakPolarHBondContact OE1-CD 3.5Å; E225-R297 WeakPolarHBondContact OE1-CG 3.08Å; E225-R297 IonicContact OE1-CZ 3.26Å; E225-R297 IonicContact OE1-NE 3.23Å; E225-R297 PolarHBondContact OE1-NE 3.24Å; E225-I298 PolarHBondContact O-N 2.8Å |
| 226 | V | 96.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 104.6 | 174.1 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | W214 F216 C228 P245 R248 I249 E252 I298 | W214-V226 HydrophobicContact CB-CB 4.25Å; W214-V226 PolarHBondContact N-O 3.18Å; W214-V226 PolarHBondContact O-N 3.29Å; F216-V226 HydrophobicContact CE2-CB 4.39Å; F216-V226 HydrophobicContact CE2-CG2 3.81Å; F216-V226 HydrophobicContact CZ-CG2 4.49Å; V226-C228 PolarHBondContact O-N 2.97Å; V226-P245 HydrophobicContact CG1-CB 4.38Å; V226-P245 HydrophobicContact CG1-CG 3.51Å; V226-R248 HydrophobicContact CG2-CB 4.49Å; V226-I249 HydrophobicContact CG1-CG1 4.12Å; V226-E252 HydrophobicContact CG2-CG 4.21Å; V226-I298 HydrophobicContact CG2-CB 4.08Å; V226-I298 HydrophobicContact CG2-CD1 3.87Å; V226-I298 HydrophobicContact CG2-CG2 4.47Å |
| 227 | C | 94.7 | Very high | 85.3 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 9% | 0.088 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 113.1 | 177.2 | -61.9 | 0 | 0 | 0 | 0 | 108.9 | T229 I298 | C227-T229 PolarHBondContact O-N 3.01Å; C227-I298 PolarHBondContact N-O 3.27Å |
| 228 | C | 95.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | trans | -92.4 | 37.7 | -175.8 | -65.1 | 0 | 0 | 0 | 0 | 111.5 | C212 V226 V242 E243 | C212-C228 HydrophobicContact CB-CB 3.92Å; C212-C228 WeakPolarHBondContact O-CB 3.35Å; C212-C228 PolarHBondContact O-N 2.84Å; V226-C228 PolarHBondContact O-N 2.97Å; C228-V242 WeakPolarHBondContact O-CA 3.36Å; C228-E243 WeakPolarHBondContact CB-O 3.4Å; C228-E243 PolarHBondContact O-N 3.01Å | ||
| 229 | T | 93 | Very high | 84 | Confident | 42 Ų | 42 | 76 Ų | 76 | 26% | 0.258 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 146.7 | -176.1 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | I211 C212 C227 T240 K241 | I211-T229 HydrophobicContact CB-CG2 3.85Å; I211-T229 HydrophobicContact CG2-CG2 4.02Å; C212-T229 HydrophobicContact CB-CG2 4.43Å; C227-T229 PolarHBondContact O-N 3.01Å; T229-T240 HydrophobicContact CG2-CG2 3.8Å; T229-K241 CarbonylContact C-O 3.59Å; T229-K241 VanDerWaalsContact CA-O 3.24Å; T229-K241 WeakPolarHBondContact CA-O 3.44Å |
| 230 | S | 89.3 | Confident | 84 | Confident | 27 Ų | 27 | 71 Ų | 71 | 19% | 0.189 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 135.1 | 173.1 | 68.8 | 0 | 0 | 0 | 0 | 109.9 | T240 K241 E243 | S230-T240 WeakPolarHBondContact O-CA 3.37Å; S230-K241 PolarHBondContact N-O 2.82Å; S230-K241 PolarHBondContact O-N 3.02Å; S230-E243 WeakPolarHBondContact CB-OE1 3.45Å; S230-E243 PolarHBondContact OG-OE1 2.85Å |
| 231 | I | 83.9 | Confident | 84.3 | Confident | 93 Ų | 93 | 72.8 Ų | 72.8 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.8 | 178.4 | -58.1 | 174.5 | 0 | 0 | 0 | 108.8 | Y233 | I231-Y233 HydrophobicContact CG2-CE2 4.36Å |
| 232 | V | 75.3 | Confident | 84.6 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 30% | 0.303 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.2 | 175.1 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | A234 Q239 K241 | V232-A234 PolarHBondContact O-N 3.28Å; V232-Q239 PolarHBondContact N-O 3.17Å; V232-Q239 PolarHBondContact O-N 2.93Å; V232-Q239 VanDerWaalsContact O-O 3.1Å; V232-K241 HydrophobicContact CG2-CD 3.66Å; V232-K241 HydrophobicContact CG2-CG 3.9Å |
| 233 | Y | 74 | Confident | 84.7 | Confident | 157 Ų | 157 | 62.8 Ų | 62.8 | 62% | 0.616 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 104.7 | 174.9 | -64.3 | -100.3 | 0 | 0 | 0 | 107.7 | I231 K238 | I231-Y233 HydrophobicContact CG2-CE2 4.36Å; Y233-K238 HydrophobicContact CD1-CG 4.12Å; Y233-K238 HydrophobicContact CE1-CD 4.15Å; Y233-K238 HydrophobicContact CE1-CG 4.17Å |
| 234 | A | 64.1 | Low | 84.9 | Confident | 47 Ų | 47 | 63.9 Ų | 63.9 | 39% | 0.388 | 32% | 0.319 | S | S | . | . | trans | -86.4 | 161.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | V232 E236 K237 | V232-A234 PolarHBondContact O-N 3.28Å; A234-E236 PolarHBondContact O-N 2.94Å; A234-K237 WeakPolarHBondContact CB-O 3.36Å; A234-K237 PolarHBondContact N-O 3.3Å | ||
| 235 | T | 65.1 | Low | 85 | Confident | 148 Ų | 148 | 65 Ų | 65 | 91% | 0.908 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -55.3 | -23.4 | -176.7 | 43.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 236 | E | 63.9 | Low | 84.9 | Confident | 177 Ų | 177 | 68.9 Ų | 68.9 | 83% | 0.827 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -116.8 | -29.5 | -173.9 | -62.9 | -179.9 | -173.6 | 0 | 0 | 114.4 | A234 | A234-E236 PolarHBondContact O-N 2.94Š|
| 237 | K | 69.4 | Low | 84.9 | Confident | 164 Ų | 164 | 72.5 Ų | 72.5 | 71% | 0.713 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -153.3 | 152.9 | -179.9 | -67.9 | -173.2 | -178 | 172.4 | 0 | 112.4 | A234 Q239 | A234-K237 WeakPolarHBondContact CB-O 3.36Å; A234-K237 PolarHBondContact N-O 3.3Å; K237-Q239 PolarHBondContact O-N 3.46Å |
| 238 | K | 78.5 | Confident | 84.9 | Confident | 147 Ų | 147 | 77.8 Ų | 77.8 | 64% | 0.639 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 123.3 | 165.2 | -62 | -176 | -173.3 | -176.4 | 0 | 108.6 | Y233 | Y233-K238 HydrophobicContact CD1-CG 4.12Å; Y233-K238 HydrophobicContact CE1-CD 4.15Å; Y233-K238 HydrophobicContact CE1-CG 4.17Å |
| 239 | Q | 79.8 | Confident | 85 | Confident | 80 Ų | 80 | 77.8 Ų | 77.8 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 148.2 | 175.4 | -65.5 | -169.8 | -1.5 | 0 | 0 | 110 | S173 V232 K237 | S173-Q239 PolarHBondContact OG-OE1 3.33Å; V232-Q239 PolarHBondContact N-O 3.17Å; V232-Q239 PolarHBondContact O-N 2.93Å; V232-Q239 VanDerWaalsContact O-O 3.1Å; K237-Q239 PolarHBondContact O-N 3.46Å |
| 240 | T | 88.6 | Confident | 85.1 | Confident | 19 Ų | 19 | 79.2 Ų | 79.2 | 12% | 0.117 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 112.9 | 178 | -50.5 | 0 | 0 | 0 | 0 | 109 | K171 S173 I211 T229 S230 | K171-T240 WeakPolarHBondContact O-CB 3.27Å; K171-T240 PolarHBondContact O-N 2.92Å; K171-T240 PolarHBondContact O-OG1 3.46Å; S173-T240 VanDerWaalsContact CB-O 3.25Å; S173-T240 WeakPolarHBondContact CB-O 3.41Å; S173-T240 PolarHBondContact N-O 3.06Å; I211-T240 VanDerWaalsContact CD1-CB 3.46Å; I211-T240 HydrophobicContact CD1-CG2 3.63Å; T229-T240 HydrophobicContact CG2-CG2 3.8Å; S230-T240 WeakPolarHBondContact O-CA 3.37Å |
| 241 | K | 92.4 | Very high | 85.4 | Confident | 71 Ų | 71 | 81.6 Ų | 81.6 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 149.7 | 174.2 | -65.6 | -172.6 | -178 | 178.1 | 0 | 109.7 | T229 S230 V232 | T229-K241 CarbonylContact C-O 3.59Å; T229-K241 VanDerWaalsContact CA-O 3.24Å; T229-K241 WeakPolarHBondContact CA-O 3.44Å; S230-K241 PolarHBondContact N-O 2.82Å; S230-K241 PolarHBondContact O-N 3.02Å; V232-K241 HydrophobicContact CG2-CD 3.66Å; V232-K241 HydrophobicContact CG2-CG 3.9Å |
| 242 | V | 95.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 134.1 | 172.8 | 176.8 | 0 | 0 | 0 | 0 | 109.6 | Y172 S178 N181 M182 I211 C212 C228 | Y172-V242 HydrophobicContact CD2-CG2 4.13Å; Y172-V242 HydrophobicContact CE2-CG2 3.55Å; S178-V242 PolarHBondContact OG-N 3.33Å; N181-V242 HydrophobicContact CB-CB 4.46Å; N181-V242 HydrophobicContact CB-CG1 4.04Å; N181-V242 WeakPolarHBondContact CB-O 3.42Å; N181-V242 PolarHBondContact ND2-O 3.21Å; M182-V242 HydrophobicContact CB-CG1 4.39Å; M182-V242 HydrophobicContact CE-CG2 4.01Å; I211-V242 HydrophobicContact CG2-CG2 3.45Å; I211-V242 VanDerWaalsContact CG2-CG2 3.45Å; C212-V242 HydrophobicContact CB-CG1 4.07Å; C212-V242 HydrophobicContact CB-CG2 4.34Å; C228-V242 WeakPolarHBondContact O-CA 3.36Å |
| 243 | E | 95.9 | Very high | 86.9 | Confident | 49 Ų | 49 | 75.1 Ų | 75.1 | 23% | 0.229 | 37% | 0.365 | C | S | . | . | trans | -110.7 | 160.1 | 178.4 | -59.4 | -62.5 | 164.5 | 0 | 0 | 109.7 | N185 C228 S230 V300 | N185-E243 PolarHBondContact ND2-O 2.95Å; C228-E243 WeakPolarHBondContact CB-O 3.4Å; C228-E243 PolarHBondContact O-N 3.01Å; S230-E243 WeakPolarHBondContact CB-OE1 3.45Å; S230-E243 PolarHBondContact OG-OE1 2.85Å; E243-V300 HydrophobicContact CB-CB 4.36Å; E243-V300 HydrophobicContact CB-CG1 4.27Å; E243-V300 HydrophobicContact CB-CG2 3.78Å; E243-V300 HydrophobicContact CG-CB 4.24Å; E243-V300 HydrophobicContact CG-CG1 4.1Å; E243-V300 HydrophobicContact CG-CG2 4.17Å | ||
| 244 | F | 96.8 | Very high | 87.9 | Confident | 44 Ų | 44 | 72 Ų | 72 | 19% | 0.193 | 36% | 0.359 | C | S | . | . | trans | -126.4 | 80.2 | 176.2 | 179.2 | -121.9 | 0 | 0 | 0 | 110.7 | N181 K184 L188 E246 I249 | N181-F244 HydrophobicContact CB-CB 4.1Å; K184-F244 HydrophobicContact CB-CB 4.45Å; K184-F244 HydrophobicContact CB-CD1 3.79Å; K184-F244 HydrophobicContact CB-CD2 3.81Å; K184-F244 HydrophobicContact CB-CE1 3.87Å; K184-F244 HydrophobicContact CB-CE2 3.91Å; K184-F244 HydrophobicContact CB-CG 3.75Å; K184-F244 HydrophobicContact CB-CZ 3.93Å; K184-F244 HydrophobicContact CD-CD1 3.72Å; K184-F244 HydrophobicContact CD-CE1 4.12Å; K184-F244 HydrophobicContact CD-CG 4.23Å; K184-F244 HydrophobicContact CG-CD1 4.33Å; K184-F244 HydrophobicContact CG-CE1 4.4Å; K184-F244 WeakPolarHBondContact O-CE2 3.39Å; L188-F244 HydrophobicContact CB-CE2 3.99Å; L188-F244 HydrophobicContact CB-CZ 4.2Å; L188-F244 HydrophobicContact CD2-CE2 3.63Å; L188-F244 HydrophobicContact CD2-CZ 3.87Å; L188-F244 HydrophobicContact CG-CE2 4.45Å; F244-E246 HydrophobicContact CD1-CB 4.08Å; F244-E246 HydrophobicContact CE1-CB 3.55Å; F244-E246 HydrophobicContact CE1-CG 3.91Å; F244-E246 HydrophobicContact CE2-CB 4.28Å; F244-E246 HydrophobicContact CZ-CB 3.66Å; F244-E246 HydrophobicContact CZ-CG 3.76Å; F244-E246 PolarHBondContact O-N 2.9Å; F244-I249 HydrophobicContact CD2-CD1 4.39Å; F244-I249 HydrophobicContact CE2-CD1 4.4Å | ||
| 245 | P | 96.3 | Very high | 89.2 | Confident | 22 Ų | 22 | 71.8 Ų | 71.8 | 14% | 0.143 | 35% | 0.351 | C | S | . | . | trans | -78.9 | 62.7 | 178.5 | 34 | -36.3 | 0 | 0 | 0 | 111.9 | V226 A247 R248 I249 V300 | V226-P245 HydrophobicContact CG1-CB 4.38Å; V226-P245 HydrophobicContact CG1-CG 3.51Å; P245-A247 PolarHBondContact O-N 3.33Å; P245-R248 HydrophobicContact CB-CB 4.36Å; P245-R248 PolarHBondContact O-N 3.42Å; P245-I249 HydrophobicContact CG-CD1 4.19Å; P245-I249 HydrophobicContact CG-CG1 4.38Å; P245-I249 PolarHBondContact O-N 2.85Å; P245-I249 VanDerWaalsContact O-N 3.11Å; P245-V300 HydrophobicContact CB-CG2 3.96Å; P245-V300 HydrophobicContact CG-CG2 3.89Å | ||
| 246 | E | 96 | Very high | 90.5 | Very high | 96 Ų | 96 | 64.7 Ų | 64.7 | 45% | 0.449 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -45.7 | -52.5 | -173.6 | -176 | 172.1 | -165.6 | 0 | 0 | 113.7 | L188 F244 R248 I249 Y250 | L188-E246 HydrophobicContact CD2-CG 4.3Å; F244-E246 HydrophobicContact CD1-CB 4.08Å; F244-E246 HydrophobicContact CE1-CB 3.55Å; F244-E246 HydrophobicContact CE1-CG 3.91Å; F244-E246 HydrophobicContact CE2-CB 4.28Å; F244-E246 HydrophobicContact CZ-CB 3.66Å; F244-E246 HydrophobicContact CZ-CG 3.76Å; F244-E246 PolarHBondContact O-N 2.9Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 3.02Å; E246-I249 PolarHBondContact O-N 2.8Å; E246-Y250 HydrophobicContact CG-CD2 3.72Å; E246-Y250 HydrophobicContact CG-CE2 3.76Å; E246-Y250 WeakPolarHBondContact O-CD2 3.28Å; E246-Y250 PolarHBondContact O-N 3.07Å |
| 247 | A | 95.2 | Very high | 91.7 | Very high | 76 Ų | 76 | 57.8 Ų | 57.8 | 63% | 0.628 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60 | -38.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | P245 E251 | P245-A247 PolarHBondContact O-N 3.33Å; A247-E251 VanDerWaalsContact O-CB 3.32Å; A247-E251 WeakPolarHBondContact O-CB 3.44Å; A247-E251 PolarHBondContact O-N 2.84Å |
| 248 | R | 95 | Very high | 92.6 | Very high | 125 Ų | 125 | 52.2 Ų | 52.2 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -73 | -38 | 179.1 | -65.3 | -58.9 | -173 | -178.1 | 0.5 | 112 | V226 P245 E246 E251 E252 I298 | V226-R248 HydrophobicContact CG2-CB 4.49Å; P245-R248 HydrophobicContact CB-CB 4.36Å; P245-R248 PolarHBondContact O-N 3.42Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 3.02Å; R248-E251 WeakPolarHBondContact CD-OE2 3.34Å; R248-E251 IonicContact CZ-OE2 3.2Å; R248-E251 IonicContact NH1-OE1 3.86Å; R248-E251 IonicContact NH1-OE2 2.81Å; R248-E251 PolarHBondContact NH1-OE2 3.28Å; R248-E251 PolarHBondContact O-N 2.77Å; R248-E252 WeakPolarHBondContact O-CG 3.3Å; R248-E252 PolarHBondContact O-N 3.04Å; R248-I298 HydrophobicContact CB-CG2 4.28Å; R248-I298 HydrophobicContact CG-CG2 4.11Å |
| 249 | I | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -48.5 | 174.9 | -64.3 | 161.5 | 0 | 0 | 0 | 109.4 | N185 L188 L192 W214 V226 F244 P245 E246 E252 T253 | N185-I249 WeakPolarHBondContact OD1-CD1 3.26Å; L188-I249 HydrophobicContact CD2-CB 4Å; L188-I249 HydrophobicContact CD2-CD1 4.1Å; L188-I249 HydrophobicContact CD2-CG2 3.68Å; L188-I249 HydrophobicContact CG-CG2 4.45Å; L192-I249 HydrophobicContact CD1-CG2 4.3Å; W214-I249 HydrophobicContact CD2-CD1 4.41Å; W214-I249 HydrophobicContact CD2-CG1 4.27Å; W214-I249 HydrophobicContact CD2-CG2 3.65Å; W214-I249 HydrophobicContact CE3-CG2 3.6Å; W214-I249 HydrophobicContact CG-CD1 4.45Å; W214-I249 HydrophobicContact CG-CG1 4.19Å; W214-I249 HydrophobicContact CG-CG2 4.34Å; W214-I249 HydrophobicContact CH2-CG2 3.63Å; W214-I249 HydrophobicContact CZ2-CD1 4.2Å; W214-I249 HydrophobicContact CZ2-CG2 3.74Å; W214-I249 HydrophobicContact CZ3-CG2 3.59Å; V226-I249 HydrophobicContact CG1-CG1 4.12Å; F244-I249 HydrophobicContact CD2-CD1 4.39Å; F244-I249 HydrophobicContact CE2-CD1 4.4Å; P245-I249 HydrophobicContact CG-CD1 4.19Å; P245-I249 HydrophobicContact CG-CG1 4.38Å; P245-I249 PolarHBondContact O-N 2.85Å; P245-I249 VanDerWaalsContact O-N 3.11Å; E246-I249 PolarHBondContact O-N 2.8Å; I249-E252 PolarHBondContact O-N 3.44Å; I249-T253 PolarHBondContact O-N 2.89Å; I249-T253 PolarHBondContact O-OG1 3.38Å |
| 250 | Y | 96 | Very high | 93.2 | Very high | 72 Ų | 72 | 46.3 Ų | 46.3 | 28% | 0.282 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 176.9 | -92.4 | -68.4 | 0 | 0 | 0 | 113 | L188 L192 E246 E252 T253 L254 | L188-Y250 HydrophobicContact CD1-CD2 4.16Å; L188-Y250 HydrophobicContact CD1-CE1 4.12Å; L188-Y250 HydrophobicContact CD1-CE2 3.37Å; L188-Y250 VanDerWaalsContact CD1-OH 3.27Å; L188-Y250 WeakPolarHBondContact CD1-OH 3.48Å; L188-Y250 HydrophobicContact CD2-CD2 4.47Å; L188-Y250 HydrophobicContact CD2-CE2 4.34Å; L192-Y250 HydrophobicContact CD2-CD1 3.92Å; L192-Y250 HydrophobicContact CD2-CE1 3.54Å; L192-Y250 HydrophobicContact CG-CE1 4.44Å; E246-Y250 HydrophobicContact CG-CD2 3.72Å; E246-Y250 HydrophobicContact CG-CE2 3.76Å; E246-Y250 WeakPolarHBondContact O-CD2 3.28Å; E246-Y250 PolarHBondContact O-N 3.07Å; Y250-E252 PolarHBondContact O-N 3Å; Y250-T253 PolarHBondContact O-N 3.24Å; Y250-L254 WeakPolarHBondContact O-CG 3.03Å; Y250-L254 PolarHBondContact O-N 3.47Å |
| 251 | E | 94.8 | Very high | 92.2 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.7 | -49.6 | 178.2 | -178 | 179.5 | -164.7 | 0 | 0 | 111.1 | A247 R248 T253 L254 N255 | A247-E251 VanDerWaalsContact O-CB 3.32Å; A247-E251 WeakPolarHBondContact O-CB 3.44Å; A247-E251 PolarHBondContact O-N 2.84Å; R248-E251 WeakPolarHBondContact CD-OE2 3.34Å; R248-E251 IonicContact CZ-OE2 3.2Å; R248-E251 IonicContact NH1-OE1 3.86Å; R248-E251 IonicContact NH1-OE2 2.81Å; R248-E251 PolarHBondContact NH1-OE2 3.28Å; R248-E251 PolarHBondContact O-N 2.77Å; E251-T253 PolarHBondContact O-N 3.06Å; E251-L254 PolarHBondContact O-N 3.23Å; E251-N255 PolarHBondContact O-N 3.27Å; E251-N255 PolarHBondContact O-ND2 2.76Å |
| 252 | E | 95.3 | Very high | 90.7 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.4 | -33.9 | 179.3 | -68.4 | -55.3 | 143.9 | 0 | 0 | 113.3 | F216 A224 V226 R248 I249 Y250 L254 N255 I256 R296 I298 | F216-E252 HydrophobicContact CD1-CB 3.94Å; F216-E252 HydrophobicContact CD2-CB 3.87Å; F216-E252 HydrophobicContact CD2-CG 4.48Å; F216-E252 HydrophobicContact CE1-CB 3.68Å; F216-E252 HydrophobicContact CE2-CB 3.61Å; F216-E252 HydrophobicContact CE2-CG 4.28Å; F216-E252 HydrophobicContact CG-CB 4.04Å; F216-E252 HydrophobicContact CZ-CB 3.51Å; A224-E252 HydrophobicContact CB-CG 4.4Å; A224-E252 WeakPolarHBondContact CB-OE2 3.47Å; V226-E252 HydrophobicContact CG2-CG 4.21Å; R248-E252 WeakPolarHBondContact O-CG 3.3Å; R248-E252 PolarHBondContact O-N 3.04Å; I249-E252 PolarHBondContact O-N 3.44Å; Y250-E252 PolarHBondContact O-N 3Å; E252-L254 VanDerWaalsContact C-N 3.29Å; E252-L254 PolarHBondContact O-N 3.37Å; E252-N255 PolarHBondContact O-N 3.08Å; E252-N255 PolarHBondContact OE1-ND2 3.3Å; E252-I256 PolarHBondContact O-N 2.72Å; E252-I256 VanDerWaalsContact O-N 3.1Å; E252-R296 IonicContact OE1-CZ 2.7Å; E252-R296 IonicContact OE1-NH1 3.39Å; E252-R296 PolarHBondContact OE1-NH1 3.22Å; E252-R296 IonicContact OE1-NH2 3.26Å; E252-R296 IonicContact OE2-CZ 2.92Å; E252-R296 VanDerWaalsContact OE2-CZ 3.29Å; E252-R296 IonicContact OE2-NH1 2.77Å; E252-R296 PolarHBondContact OE2-NH1 2.7Å; E252-R296 IonicContact OE2-NH2 3.04Å; E252-R296 PolarHBondContact OE2-NH2 3.37Å; E252-I298 HydrophobicContact CG-CD1 3.62Å |
| 253 | T | 95.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -35.7 | 171.4 | -59.3 | 0 | 0 | 0 | 0 | 112 | V161 L192 F196 I249 Y250 E251 I256 | V161-T253 HydrophobicContact CG2-CG2 4.49Å; L192-T253 HydrophobicContact CD1-CG2 4.26Å; L192-T253 HydrophobicContact CD2-CG2 4.13Å; F196-T253 HydrophobicContact CD2-CG2 4.12Å; F196-T253 HydrophobicContact CE2-CG2 4.02Å; I249-T253 PolarHBondContact O-N 2.89Å; I249-T253 PolarHBondContact O-OG1 3.38Å; Y250-T253 PolarHBondContact O-N 3.24Å; E251-T253 PolarHBondContact O-N 3.06Å; T253-I256 WeakPolarHBondContact O-CG1 3.35Å |
| 254 | L | 93.8 | Very high | 86.9 | Confident | 92 Ų | 92 | 59.8 Ų | 59.8 | 48% | 0.482 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.6 | -39.1 | 175.1 | -67 | 175.8 | 0 | 0 | 0 | 111.5 | F196 Y250 E251 E252 I256 L257 | F196-L254 HydrophobicContact CZ-CD2 3.92Å; Y250-L254 WeakPolarHBondContact O-CG 3.03Å; Y250-L254 PolarHBondContact O-N 3.47Å; E251-L254 PolarHBondContact O-N 3.23Å; E252-L254 VanDerWaalsContact C-N 3.29Å; E252-L254 PolarHBondContact O-N 3.37Å; L254-I256 VanDerWaalsContact C-N 3.32Å; L254-I256 PolarHBondContact O-N 3.21Å; L254-L257 HydrophobicContact CD2-CD1 4.06Å; L254-L257 VanDerWaalsContact O-CB 3.3Å; L254-L257 WeakPolarHBondContact O-CB 3.35Å; L254-L257 WeakPolarHBondContact O-CG 3.45Å; L254-L257 PolarHBondContact O-N 2.87Å; L254-L257 VanDerWaalsContact O-N 3.11Å |
| 255 | N | 92.3 | Very high | 85 | Confident | 42 Ų | 42 | 67.6 Ų | 67.6 | 23% | 0.225 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.5 | -35.6 | 179.6 | -71.2 | -24 | 0 | 0 | 0 | 112.8 | E251 E252 L257 L258 | E251-N255 PolarHBondContact O-N 3.27Å; E251-N255 PolarHBondContact O-ND2 2.76Å; E252-N255 PolarHBondContact O-N 3.08Å; E252-N255 PolarHBondContact OE1-ND2 3.3Å; N255-L257 PolarHBondContact O-N 2.68Å; N255-L258 WeakPolarHBondContact O-CB 3.24Å; N255-L258 WeakPolarHBondContact O-CG 3.48Å; N255-L258 PolarHBondContact O-N 2.74Å |
| 256 | I | 91.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -65.6 | -20.1 | 177.4 | 57.6 | 154.7 | 0 | 0 | 0 | 113.5 | P159 V161 V200 F216 I223 E252 T253 L254 L258 Y259 | P159-I256 HydrophobicContact CB-CB 4.1Å; P159-I256 HydrophobicContact CB-CD1 4.17Å; P159-I256 WeakPolarHBondContact CB-O 3.2Å; V161-I256 HydrophobicContact CG2-CD1 3.26Å; V161-I256 HydrophobicContact CG2-CG1 4.44Å; V200-I256 HydrophobicContact CG1-CD1 3.65Å; V200-I256 HydrophobicContact CG2-CD1 3.99Å; F216-I256 HydrophobicContact CB-CG2 3.65Å; F216-I256 HydrophobicContact CD1-CG2 3.9Å; F216-I256 HydrophobicContact CG-CG2 4.21Å; I223-I256 HydrophobicContact CD1-CG2 3.6Å; I223-I256 HydrophobicContact CG1-CG2 4.29Å; E252-I256 PolarHBondContact O-N 2.72Å; E252-I256 VanDerWaalsContact O-N 3.1Å; T253-I256 WeakPolarHBondContact O-CG1 3.35Å; L254-I256 VanDerWaalsContact C-N 3.32Å; L254-I256 PolarHBondContact O-N 3.21Å; I256-L258 PolarHBondContact O-N 3.02Å; I256-Y259 WeakPolarHBondContact O-CB 3.48Å; I256-Y259 PolarHBondContact O-N 3.3Å |
| 257 | L | 90.9 | Very high | 81.8 | Confident | 31 Ų | 31 | 65.3 Ų | 65.3 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -65.9 | -20.7 | 178.3 | -56 | 177.2 | 0 | 0 | 0 | 111.5 | F196 V200 L254 N255 Y259 E260 | F196-L257 HydrophobicContact CD1-CD1 4.26Å; F196-L257 HydrophobicContact CD1-CD2 4.2Å; F196-L257 HydrophobicContact CE1-CD1 3.77Å; F196-L257 HydrophobicContact CZ-CD1 4.4Å; V200-L257 HydrophobicContact CG2-CD2 3.44Å; V200-L257 VanDerWaalsContact CG2-CD2 3.44Å; L254-L257 HydrophobicContact CD2-CD1 4.06Å; L254-L257 VanDerWaalsContact O-CB 3.3Å; L254-L257 WeakPolarHBondContact O-CB 3.35Å; L254-L257 WeakPolarHBondContact O-CG 3.45Å; L254-L257 PolarHBondContact O-N 2.87Å; L254-L257 VanDerWaalsContact O-N 3.11Å; N255-L257 PolarHBondContact O-N 2.68Å; L257-Y259 PolarHBondContact O-N 2.92Å; L257-E260 VanDerWaalsContact CD2-OE1 3.27Å; L257-E260 WeakPolarHBondContact CD2-OE1 3.44Å; L257-E260 WeakPolarHBondContact O-CB 3.33Å; L257-E260 WeakPolarHBondContact O-CG 3.13Å; L257-E260 PolarHBondContact O-N 3.16Å |
| 258 | L | 88.3 | Confident | 80.5 | Confident | 48 Ų | 48 | 66 Ų | 66 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -62.4 | -20.3 | 171.3 | -59.6 | 173 | 0 | 0 | 0 | 112.6 | N255 I256 P267 L272 T275 | N255-L258 WeakPolarHBondContact O-CB 3.24Å; N255-L258 WeakPolarHBondContact O-CG 3.48Å; N255-L258 PolarHBondContact O-N 2.74Å; I256-L258 PolarHBondContact O-N 3.02Å; L258-P267 WeakPolarHBondContact O-CB 2.98Å; L258-L272 HydrophobicContact CB-CD2 3.94Å; L258-L272 HydrophobicContact CD1-CD2 4.44Å; L258-T275 HydrophobicContact CD1-CG2 3.99Å; L258-T275 WeakPolarHBondContact CD1-OG1 3.46Å |
| 259 | Y | 86.3 | Confident | 79.3 | Confident | 55 Ų | 55 | 65.5 Ų | 65.5 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -97.1 | 11.5 | -180 | -60.2 | -93.7 | 0 | 0 | 0 | 113.1 | Q219 I223 I256 L257 L272 | Q219-Y259 HydrophobicContact CG-CD1 4.34Å; I223-Y259 HydrophobicContact CD1-CD2 3.89Å; I223-Y259 HydrophobicContact CD1-CE2 3.42Å; I223-Y259 VanDerWaalsContact CD1-CE2 3.42Å; I223-Y259 HydrophobicContact CG2-CE1 4.45Å; I256-Y259 WeakPolarHBondContact O-CB 3.48Å; I256-Y259 PolarHBondContact O-N 3.3Å; L257-Y259 PolarHBondContact O-N 2.92Å; Y259-L272 HydrophobicContact CE1-CD2 4.2Å; Y259-L272 HydrophobicContact CE2-CD2 4.31Å |
| 260 | E | 82.8 | Confident | 77.8 | Confident | 47 Ų | 47 | 68.5 Ų | 68.5 | 22% | 0.22 | 38% | 0.377 | C | S | . | . | trans | -65 | 134 | 170.8 | -72.9 | -179.4 | 176.7 | 0 | 0 | 110.9 | P159 R199 L257 H262 | P159-E260 HydrophobicContact CG-CG 3.83Å; R199-E260 WeakPolarHBondContact CB-OE1 3.35Å; R199-E260 IonicContact CZ-OE1 3.42Å; R199-E260 VanDerWaalsContact CZ-OE1 3.26Å; R199-E260 IonicContact CZ-OE2 2.72Å; R199-E260 IonicContact NE-OE1 2.8Å; R199-E260 PolarHBondContact NE-OE1 2.9Å; R199-E260 IonicContact NE-OE2 3.81Å; R199-E260 PolarHBondContact NE-OE2 2.96Å; R199-E260 IonicContact NH2-OE1 2.69Å; R199-E260 PolarHBondContact NH2-OE1 2.82Å; R199-E260 IonicContact NH2-OE2 2.99Å; R199-E260 PolarHBondContact NH2-OE2 2.85Å; L257-E260 VanDerWaalsContact CD2-OE1 3.27Å; L257-E260 WeakPolarHBondContact CD2-OE1 3.44Å; L257-E260 WeakPolarHBondContact O-CB 3.33Å; L257-E260 WeakPolarHBondContact O-CG 3.13Å; L257-E260 PolarHBondContact O-N 3.16Å; E260-H262 PolarHBondContact O-N 2.89Å | ||
| 261 | S | 69.1 | Low | 76.4 | Confident | 58 Ų | 58 | 69.6 Ų | 69.6 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | trans | -87.6 | 99.4 | 174.7 | 42.4 | 0 | 0 | 0 | 0 | 109.3 | N157 | N157-S261 PolarHBondContact O-OG 3.32Š| ||
| 262 | H | 60.5 | Low | 75.4 | Confident | 141 Ų | 141 | 68 Ų | 68 | 65% | 0.653 | 38% | 0.381 | S | S | * | . | B | Isolated β-bridge | trans | -83.9 | 118.3 | 172.8 | -147.3 | -46 | 0 | 0 | 0 | 108.7 | E260 G264 R265 | E260-H262 PolarHBondContact O-N 2.89Å; H262-G264 VanDerWaalsContact C-N 3.27Å; H262-G264 PolarHBondContact O-N 3.21Å; H262-G264 VanDerWaalsContact O-N 3.11Å; H262-R265 PolarHBondContact O-N 3.25Å |
| 263 | D | 56.1 | Low | 74.1 | Confident | 146 Ų | 146 | 75 Ų | 75 | 78% | 0.781 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 33.7 | 172.2 | -54.5 | -41.2 | 0 | 0 | 0 | 116.2 | R265 | D263-R265 PolarHBondContact O-N 3.32Š|
| 264 | G | 54.3 | Low | 72.5 | Confident | 77 Ų | 77 | 78.9 Ų | 78.9 | 79% | 0.794 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 3.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H262 | H262-G264 VanDerWaalsContact C-N 3.27Å; H262-G264 PolarHBondContact O-N 3.21Å; H262-G264 VanDerWaalsContact O-N 3.11Å |
| 265 | R | 57.5 | Low | 71 | Confident | 208 Ų | 208 | 77.6 Ų | 77.6 | 79% | 0.785 | 44% | 0.442 | S | S | * | . | B | Isolated β-bridge | trans | -84 | 136.4 | 162 | -73.1 | -177.3 | -179.2 | -175.3 | 0.7 | 108.6 | H262 D263 | H262-R265 PolarHBondContact O-N 3.25Å; D263-R265 PolarHBondContact O-N 3.32Å |
| 266 | G | 60.7 | Low | 69.2 | Low | 55 Ų | 55 | 76.6 Ų | 76.6 | 57% | 0.567 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 173.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 267 | P | 63.7 | Low | 67.1 | Low | 16 Ų | 16 | 80.5 Ų | 80.5 | 10% | 0.104 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 146.6 | 178 | 28.4 | -36.3 | 0 | 0 | 0 | 111.2 | L258 N269 L272 | L258-P267 WeakPolarHBondContact O-CB 2.98Å; P267-N269 PolarHBondContact O-N 3.2Å; P267-N269 VanDerWaalsContact O-N 3.13Å; P267-L272 HydrophobicContact CB-CD1 3.93Å; P267-L272 HydrophobicContact CB-CG 4.46Å; P267-L272 HydrophobicContact CG-CD1 3.89Å |
| 268 | D | 69.3 | Low | 65.1 | Low | 90 Ų | 90 | 83.6 Ų | 83.6 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | trans | -68.5 | 110.2 | -179.4 | -175.4 | -10.4 | 0 | 0 | 0 | 110.3 | A270 L271 L272 | D268-A270 PolarHBondContact O-N 3.47Å; D268-A270 WeakPolarHBondContact OD1-CB 3.4Å; D268-A270 PolarHBondContact OD1-N 2.82Å; D268-L271 HydrophobicContact CB-CB 4.13Å; D268-L271 HydrophobicContact CB-CD1 3.91Å; D268-L271 HydrophobicContact CB-CG 4.04Å; D268-L271 PolarHBondContact O-N 3.18Å; D268-L271 VanDerWaalsContact O-N 3.09Å; D268-L272 WeakPolarHBondContact O-CG 3.15Å; D268-L272 PolarHBondContact O-N 3.12Å | ||
| 269 | N | 69.4 | Low | 63.2 | Low | 115 Ų | 115 | 84 Ų | 84 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.4 | -32.7 | 179.9 | -74.6 | -6.1 | 0 | 0 | 0 | 112.5 | P267 L272 E273 | P267-N269 PolarHBondContact O-N 3.2Å; P267-N269 VanDerWaalsContact O-N 3.13Å; N269-L272 PolarHBondContact O-N 2.64Å; N269-E273 WeakPolarHBondContact O-CB 3.02Å; N269-E273 WeakPolarHBondContact O-CG 3.34Å; N269-E273 PolarHBondContact O-N 2.86Å |
| 270 | A | 66.5 | Low | 61.1 | Low | 62 Ų | 62 | 84.8 Ų | 84.8 | 51% | 0.512 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70 | -35.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | D268 A274 | D268-A270 PolarHBondContact O-N 3.47Å; D268-A270 WeakPolarHBondContact OD1-CB 3.4Å; D268-A270 PolarHBondContact OD1-N 2.82Å; A270-A274 VanDerWaalsContact O-CB 3.29Å; A270-A274 WeakPolarHBondContact O-CB 3.34Å; A270-A274 PolarHBondContact O-N 2.86Å |
| 271 | L | 65.9 | Low | 59.1 | Low | 95 Ų | 95 | 94.4 Ų | 94.4 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.1 | -37.7 | 174.5 | -69.1 | 177.4 | 0 | 0 | 0 | 111.9 | D268 E273 A274 T275 | D268-L271 HydrophobicContact CB-CB 4.13Å; D268-L271 HydrophobicContact CB-CD1 3.91Å; D268-L271 HydrophobicContact CB-CG 4.04Å; D268-L271 PolarHBondContact O-N 3.18Å; D268-L271 VanDerWaalsContact O-N 3.09Å; L271-E273 VanDerWaalsContact C-N 3.33Å; L271-A274 PolarHBondContact O-N 2.56Å; L271-T275 PolarHBondContact O-N 3.28Å; L271-T275 VanDerWaalsContact O-N 3.09Å; L271-T275 PolarHBondContact O-OG1 3.05Å |
| 272 | L | 73.4 | Confident | 57.4 | Low | 43 Ų | 43 | 97.3 Ų | 97.3 | 23% | 0.225 | 60% | 0.602 | C | S | . | * | H | α-helix | trans | -62.3 | -41.1 | 173.2 | -69.7 | 175.3 | 0 | 0 | 0 | 111.4 | L258 Y259 P267 D268 N269 T275 G276 | L258-L272 HydrophobicContact CB-CD2 3.94Å; L258-L272 HydrophobicContact CD1-CD2 4.44Å; Y259-L272 HydrophobicContact CE1-CD2 4.2Å; Y259-L272 HydrophobicContact CE2-CD2 4.31Å; P267-L272 HydrophobicContact CB-CD1 3.93Å; P267-L272 HydrophobicContact CB-CG 4.46Å; P267-L272 HydrophobicContact CG-CD1 3.89Å; D268-L272 WeakPolarHBondContact O-CG 3.15Å; D268-L272 PolarHBondContact O-N 3.12Å; N269-L272 PolarHBondContact O-N 2.64Å; L272-T275 PolarHBondContact O-OG1 2.89Å; L272-G276 PolarHBondContact O-N 3.35Å |
| 273 | E | 68.7 | Low | 56.4 | Low | 154 Ų | 154 | 96.2 Ų | 96.2 | 72% | 0.72 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.3 | -40.5 | 175.8 | -75.4 | -178 | -176.6 | 0 | 0 | 112.8 | N269 L271 T275 G276 | N269-E273 WeakPolarHBondContact O-CB 3.02Å; N269-E273 WeakPolarHBondContact O-CG 3.34Å; N269-E273 PolarHBondContact O-N 2.86Å; L271-E273 VanDerWaalsContact C-N 3.33Å; E273-T275 VanDerWaalsContact C-N 3.34Å; E273-T275 PolarHBondContact O-N 3.33Å; E273-G276 VanDerWaalsContact O-CA 3.31Å; E273-G276 WeakPolarHBondContact O-CA 3.35Å; E273-G276 PolarHBondContact O-N 2.84Å |
| 274 | A | 61.7 | Low | 55.2 | Low | 81 Ų | 81 | 98.1 Ų | 98.1 | 67% | 0.669 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.2 | -34.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | A270 L271 | A270-A274 VanDerWaalsContact O-CB 3.29Å; A270-A274 WeakPolarHBondContact O-CB 3.34Å; A270-A274 PolarHBondContact O-N 2.86Å; L271-A274 PolarHBondContact O-N 2.56Å |
| 275 | T | 62.7 | Low | 54.6 | Low | 66 Ų | 66 | 102 Ų | 102 | 41% | 0.405 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -79 | -10.1 | 171.6 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | L258 L271 L272 E273 G277 A278 | L258-T275 HydrophobicContact CD1-CG2 3.99Å; L258-T275 WeakPolarHBondContact CD1-OG1 3.46Å; L271-T275 PolarHBondContact O-N 3.28Å; L271-T275 VanDerWaalsContact O-N 3.09Å; L271-T275 PolarHBondContact O-OG1 3.05Å; L272-T275 PolarHBondContact O-OG1 2.89Å; E273-T275 VanDerWaalsContact C-N 3.34Å; E273-T275 PolarHBondContact O-N 3.33Å; T275-G277 PolarHBondContact O-N 2.99Å; T275-A278 PolarHBondContact O-N 2.88Å |
| 276 | G | 54.8 | Low | 53.5 | Low | 21 Ų | 21 | 99.9 Ų | 99.9 | 22% | 0.216 | 62% | 0.62 | C | S | . | * | G | 310 helix | trans | -66.5 | -8.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L272 E273 A278 A279 | L272-G276 PolarHBondContact O-N 3.35Å; E273-G276 VanDerWaalsContact O-CA 3.31Å; E273-G276 WeakPolarHBondContact O-CA 3.35Å; E273-G276 PolarHBondContact O-N 2.84Å; G276-A278 PolarHBondContact O-N 3.46Å; G276-A279 CarbonylContact O-C 3.51Å; G276-A279 WeakPolarHBondContact O-CA 3.42Å; G276-A279 PolarHBondContact O-N 3.42Å |
| 277 | G | 46.1 | Very low | 52.6 | Low | 82 Ų | 82 | 104.4 Ų | 104.4 | 85% | 0.845 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -62.8 | -24.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T275 | T275-G277 PolarHBondContact O-N 2.99Š|
| 278 | A | 49.6 | Very low | 51.4 | Low | 96 Ų | 96 | 110.6 Ų | 110.6 | 79% | 0.793 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -93.7 | -8.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T275 G276 | T275-A278 PolarHBondContact O-N 2.88Å; G276-A278 PolarHBondContact O-N 3.46Å |
| 279 | A | 48 | Very low | 49.7 | Very low | 57 Ų | 57 | 115.2 Ų | 115.2 | 47% | 0.471 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -109.5 | 73.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G276 | G276-A279 CarbonylContact O-C 3.51Å; G276-A279 WeakPolarHBondContact O-CA 3.42Å; G276-A279 PolarHBondContact O-N 3.42Å |
| 280 | G | 43.1 | Very low | 48.1 | Very low | 71 Ų | 71 | 117.9 Ų | 117.9 | 73% | 0.732 | 69% | 0.691 | S | S | * | * | trans | 55.2 | 81.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 281 | R | 40.4 | Very low | 46.9 | Very low | 249 Ų | 249 | 121.2 Ų | 121.2 | 94% | 0.94 | 71% | 0.707 | S | S | * | * | trans | -129.2 | 89.3 | 144.6 | -84.2 | -174.3 | 158.9 | -176 | -4.5 | 109.1 | ||||
| 282 | S | 32.9 | Very low | 45.9 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -84.2 | 114.3 | 152.5 | 59.5 | 0 | 0 | 0 | 0 | 106.8 | H284 | S282-H284 PolarHBondContact O-N 2.91Å; S282-H284 VanDerWaalsContact O-N 3.11Å | ||
| 283 | S | 39.3 | Very low | 44.9 | Very low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -60.2 | 108.4 | 173.7 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 284 | H | 31.5 | Very low | 44.9 | Very low | 186 Ų | 186 | 127.8 Ų | 127.8 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | -147.8 | 121.4 | 145.2 | -122.6 | -67.3 | 0 | 0 | 0 | 108.1 | S282 | S282-H284 PolarHBondContact O-N 2.91Å; S282-H284 VanDerWaalsContact O-N 3.11Å | ||
| 285 | L | 41.5 | Very low | 45.8 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | trans | -61.5 | 128.1 | 173 | -67.7 | 152.6 | 0 | 0 | 0 | 108.4 | ||||
| 286 | D | 34.6 | Very low | 46.8 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 88% | 0.882 | 73% | 0.728 | S | S | * | * | trans | -172.2 | 149.5 | 131.1 | -84.3 | -30 | 0 | 0 | 0 | 109.9 | ||||
| 287 | D | 40.5 | Very low | 48.2 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | -59.7 | 157.6 | -160.2 | -92.8 | -42.2 | 0 | 0 | 0 | 118.6 | ||||
| 288 | D | 38.6 | Very low | 50.1 | Low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | trans | 57.4 | 77.1 | 150.7 | -70.3 | -41.8 | 0 | 0 | 0 | 119.3 | ||||
| 289 | E | 34.3 | Very low | 51.6 | Low | 187 Ų | 187 | 132.8 Ų | 132.8 | 87% | 0.874 | 71% | 0.705 | S | S | * | * | trans | -146.3 | 137.1 | 138.8 | -77.8 | -151.1 | 147.8 | 0 | 0 | 110.2 | ||||
| 290 | E | 36.5 | Very low | 52.8 | Low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -50.2 | 144.7 | 173.3 | -71.5 | -168 | 143.6 | 0 | 0 | 111.5 | V292 | E290-V292 VanDerWaalsContact C-N 3.33Å; E290-V292 PolarHBondContact O-N 2.86Å | ||
| 291 | P | 41.7 | Very low | 53.5 | Low | 132 Ų | 132 | 138.3 Ų | 138.3 | 86% | 0.857 | 70% | 0.702 | S | S | * | * | trans | -73.5 | 86.3 | -175.2 | 30.1 | -32.6 | 0 | 0 | 0 | 110.4 | G293 | P291-G293 PolarHBondContact O-N 2.96Š| ||
| 292 | V | 43.3 | Very low | 54.2 | Low | 125 Ų | 125 | 135.3 Ų | 135.3 | 76% | 0.758 | 69% | 0.691 | S | S | * | * | trans | -65.2 | 106.7 | 169.8 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | E290 R294 | E290-V292 VanDerWaalsContact C-N 3.33Å; E290-V292 PolarHBondContact O-N 2.86Å; V292-R294 PolarHBondContact O-N 2.98Å | ||
| 293 | G | 52.2 | Low | 54.6 | Low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 69% | 0.69 | S | S | * | * | trans | -52.5 | 100.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P291 V295 | P291-G293 PolarHBondContact O-N 2.96Å; G293-V295 PolarHBondContact O-N 2.82Å | ||
| 294 | R | 69.8 | Low | 54.7 | Low | 233 Ų | 233 | 136.9 Ų | 136.9 | 88% | 0.879 | 69% | 0.688 | S | S | * | * | trans | -74.4 | 124.6 | -174.5 | -166.8 | 175.2 | -175.9 | 173.5 | 2.3 | 110.7 | V292 R296 | V292-R294 PolarHBondContact O-N 2.98Å; R294-R296 PolarHBondContact O-N 3.02Å | ||
| 295 | V | 79.4 | Confident | 55 | Low | 45 Ų | 45 | 136 Ų | 136 | 27% | 0.273 | 69% | 0.689 | S | S | . | * | trans | -66.3 | 124.2 | 172.9 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | K222 G293 R297 | K222-V295 HydrophobicContact CB-CG2 4.41Å; K222-V295 HydrophobicContact CD-CG1 4.25Å; K222-V295 HydrophobicContact CG-CG1 4.21Å; G293-V295 PolarHBondContact O-N 2.82Å; V295-R297 PolarHBondContact O-N 2.93Å | ||
| 296 | R | 83.9 | Confident | 55.1 | Low | 84 Ų | 84 | 139.2 Ų | 139.2 | 32% | 0.317 | 69% | 0.691 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.4 | 107.9 | 176.2 | -66.2 | -179.3 | -70.6 | 129.5 | 10.4 | 109.8 | I223 A224 E225 E252 R294 | I223-R296 PolarHBondContact O-N 2.91Å; A224-R296 CarbonylContact C-O 3.1Å; A224-R296 WeakPolarHBondContact CA-O 3.25Å; A224-R296 HydrophobicContact CB-CB 4.11Å; E225-R296 PolarHBondContact N-O 3.48Å; E252-R296 IonicContact OE1-CZ 2.7Å; E252-R296 IonicContact OE1-NH1 3.39Å; E252-R296 PolarHBondContact OE1-NH1 3.22Å; E252-R296 IonicContact OE1-NH2 3.26Å; E252-R296 IonicContact OE2-CZ 2.92Å; E252-R296 VanDerWaalsContact OE2-CZ 3.29Å; E252-R296 IonicContact OE2-NH1 2.77Å; E252-R296 PolarHBondContact OE2-NH1 2.7Å; E252-R296 IonicContact OE2-NH2 3.04Å; E252-R296 PolarHBondContact OE2-NH2 3.37Å; R294-R296 PolarHBondContact O-N 3.02Å |
| 297 | R | 84.9 | Confident | 55.5 | Low | 166 Ų | 166 | 136.7 Ų | 136.7 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.1 | 114.7 | 178.1 | -61.1 | -164.7 | 164 | 109.6 | 0.8 | 111.4 | E225 V295 | E225-R297 HydrophobicContact CG-CB 4.22Å; E225-R297 HydrophobicContact CG-CG 3.86Å; E225-R297 WeakPolarHBondContact OE1-CD 3.5Å; E225-R297 WeakPolarHBondContact OE1-CG 3.08Å; E225-R297 IonicContact OE1-CZ 3.26Å; E225-R297 IonicContact OE1-NE 3.23Å; E225-R297 PolarHBondContact OE1-NE 3.24Å; V295-R297 PolarHBondContact O-N 2.93Å |
| 298 | I | 86.3 | Confident | 55.7 | Low | 34 Ų | 34 | 138.2 Ų | 138.2 | 17% | 0.174 | 68% | 0.683 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105 | 115.7 | -179 | -59.1 | 162.9 | 0 | 0 | 0 | 108.5 | E225 V226 C227 R248 E252 | E225-I298 PolarHBondContact O-N 2.8Å; V226-I298 HydrophobicContact CG2-CB 4.08Å; V226-I298 HydrophobicContact CG2-CD1 3.87Å; V226-I298 HydrophobicContact CG2-CG2 4.47Å; C227-I298 PolarHBondContact N-O 3.27Å; R248-I298 HydrophobicContact CB-CG2 4.28Å; R248-I298 HydrophobicContact CG-CG2 4.11Å; E252-I298 HydrophobicContact CG-CD1 3.62Å |
| 299 | H | 80.4 | Confident | 55.7 | Low | 123 Ų | 123 | 140.1 Ų | 140.1 | 57% | 0.569 | 69% | 0.687 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105 | 144 | 173.7 | -63.4 | 79 | 0 | 0 | 0 | 109.5 | K301 | H299-K301 PolarHBondContact O-N 3.49Å |
| 300 | V | 74.6 | Confident | 55.8 | Low | 52 Ų | 52 | 140.5 Ų | 140.5 | 32% | 0.315 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 116.2 | 173.1 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | E243 P245 | E243-V300 HydrophobicContact CB-CB 4.36Å; E243-V300 HydrophobicContact CB-CG1 4.27Å; E243-V300 HydrophobicContact CB-CG2 3.78Å; E243-V300 HydrophobicContact CG-CB 4.24Å; E243-V300 HydrophobicContact CG-CG1 4.1Å; E243-V300 HydrophobicContact CG-CG2 4.17Å; P245-V300 HydrophobicContact CB-CG2 3.96Å; P245-V300 HydrophobicContact CG-CG2 3.89Å |
| 301 | K | 57.4 | Low | 55.8 | Low | 192 Ų | 192 | 145.3 Ų | 145.3 | 84% | 0.835 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 137.1 | 174.9 | -78.8 | -174.7 | 176.1 | -177 | 0 | 109.4 | H299 | H299-K301 PolarHBondContact O-N 3.49Š|
| 302 | R | 54.2 | Low | 56.5 | Low | 185 Ų | 185 | 146 Ų | 146 | 70% | 0.698 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 137.9 | 166.5 | -66.1 | -179.4 | 179.9 | 176.4 | -1.3 | 108.4 | D304 | R302-D304 PolarHBondContact O-N 2.96Š|
| 303 | P | 40.9 | Very low | 57.2 | Low | 125 Ų | 125 | 147.1 Ų | 147.1 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 123.3 | 157.1 | -13.4 | 27.5 | 0 | 0 | 0 | 107.3 | D305 | P303-D305 PolarHBondContact O-N 3.02Š|
| 304 | D | 41.7 | Very low | 57.4 | Low | 144 Ų | 144 | 151.3 Ų | 151.3 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 120.7 | 170.9 | -78.7 | -36.1 | 0 | 0 | 0 | 108.4 | R302 R306 | R302-D304 PolarHBondContact O-N 2.96Å; D304-R306 PolarHBondContact O-N 3.41Å |
| 305 | D | 39.2 | Very low | 56.7 | Low | 168 Ų | 168 | 146.5 Ų | 146.5 | 90% | 0.898 | 69% | 0.688 | S | S | * | * | trans | -64.9 | 80.3 | 163.1 | -94.9 | -30.8 | 0 | 0 | 0 | 108.6 | P303 | P303-D305 PolarHBondContact O-N 3.02Š| ||
| 306 | R | 41.8 | Very low | 55.3 | Low | 226 Ų | 226 | 152.8 Ų | 152.8 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -120.1 | 60 | 167.3 | -85.6 | -168.6 | 173 | -173.2 | 0.2 | 110.4 | D304 | D304-R306 PolarHBondContact O-N 3.41Š| ||
| 307 | T | 44.5 | Very low | 53.4 | Low | 111 Ų | 111 | 157.4 Ų | 157.4 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | trans | -145.4 | 96.8 | 153.9 | 47.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 308 | H | 44 | Very low | 51.1 | Low | 183 Ų | 183 | 156.8 Ų | 156.8 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | trans | 171.4 | 77.9 | 140 | -83.2 | -48.7 | 0 | 0 | 0 | 110 | ||||
| 309 | H | 39 | Very low | 48.4 | Very low | 185 Ų | 185 | 166.2 Ų | 166.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -148.2 | 96.8 | 145.9 | -96.4 | -1.2 | 0 | 0 | 0 | 107.6 | ||||
| 310 | H | 37 | Very low | 45.8 | Very low | 194 Ų | 194 | 169.8 Ų | 169.8 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | -178 | 93.9 | 141.5 | -94.7 | 18.7 | 0 | 0 | 0 | 108.7 | ||||
| 311 | Q | 34.8 | Very low | 43.1 | Very low | 273 Ų | 273 | 180.5 Ų | 180.5 | 100% | 1.276 | 86% | 0.857 | S | S | * | * | trans | -152.6 | 0 | 130.1 | -124.3 | 170.4 | 34 | 0 | 0 | 108.5 |
Retrieved 311 of 311 residues in 635.4 ms
(Link to these results)