| 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 | 64.6 | Low | 49.6 | Very low | 222 Ų | 222 | 152.7 Ų | 152.7 | 100% | 1.094 | 79% | 0.794 | S | S | * | * | 0 | 117.4 | 0 | -88.1 | -74.8 | -175.6 | 0 | 0 | 108.8 | |||||
| 2 | P | 52.3 | Low | 48.9 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -124.2 | 132.3 | 137.6 | 31.3 | -18.6 | 0 | 0 | 0 | 110.3 | T4 | P2-T4 PolarHBondContact O-N 3.44Š| ||
| 3 | L | 53.9 | Low | 48.6 | Very low | 164 Ų | 164 | 156.1 Ų | 156.1 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -77 | 97.3 | 170.8 | -68.3 | 165 | 0 | 0 | 0 | 108.1 | Y5 | L3-Y5 PolarHBondContact O-N 3.29Š| ||
| 4 | T | 46.5 | Very low | 48.5 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -95.4 | 78.9 | 164.9 | 55.9 | 0 | 0 | 0 | 0 | 108.3 | P2 D6 | P2-T4 PolarHBondContact O-N 3.44Å; T4-D6 PolarHBondContact O-N 3.47Å | ||
| 5 | Y | 48.4 | Very low | 48.7 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -78.4 | 95.4 | 165.1 | -164.8 | -98.7 | 0 | 0 | 0 | 106.7 | L3 A7 Q9 | L3-Y5 PolarHBondContact O-N 3.29Å; Y5-A7 PolarHBondContact O-N 3.11Å; Y5-Q9 PolarHBondContact OH-NE2 3.42Å | ||
| 6 | D | 46.5 | Very low | 49.4 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | trans | -61.5 | 127.4 | -173 | -102.5 | -44.4 | 0 | 0 | 0 | 111.5 | T4 T8 | T4-D6 PolarHBondContact O-N 3.47Å; D6-T8 PolarHBondContact O-N 3.18Å | ||
| 7 | A | 47.6 | Very low | 51 | Low | 94 Ų | 94 | 140.2 Ų | 140.2 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -66.8 | 36.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y5 Q9 | Y5-A7 PolarHBondContact O-N 3.11Å; A7-Q9 VanDerWaalsContact C-N 3.29Å |
| 8 | T | 48.6 | Very low | 52.8 | Low | 125 Ų | 125 | 133.5 Ų | 133.5 | 77% | 0.767 | 71% | 0.705 | S | S | * | * | trans | -89.1 | 11.4 | 176.2 | 49.8 | 0 | 0 | 0 | 0 | 113.7 | D6 R10 | D6-T8 PolarHBondContact O-N 3.18Å; T8-R10 VanDerWaalsContact C-N 3.26Å; T8-R10 PolarHBondContact O-N 3.46Å | ||
| 9 | Q | 52.8 | Low | 54.5 | Low | 135 Ų | 135 | 127.1 Ų | 127.1 | 63% | 0.631 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 73.8 | 163.8 | -79.2 | 171.3 | -8.7 | 0 | 0 | 110.4 | Y5 A7 | Y5-Q9 PolarHBondContact OH-NE2 3.42Å; A7-Q9 VanDerWaalsContact C-N 3.29Å |
| 10 | R | 41.6 | Very low | 55.9 | Low | 231 Ų | 231 | 123.5 Ų | 123.5 | 87% | 0.872 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.7 | 7.4 | 166.7 | -118.8 | 166.9 | 177.7 | 118.8 | 1.6 | 119.1 | T8 | T8-R10 VanDerWaalsContact C-N 3.26Å; T8-R10 PolarHBondContact O-N 3.46Å |
| 11 | L | 43 | Very low | 57.4 | Low | 172 Ų | 172 | 118.9 Ų | 118.9 | 90% | 0.901 | 64% | 0.636 | S | S | * | * | trans | -140.1 | 85 | 175.3 | -71.3 | 166.1 | 0 | 0 | 0 | 112.1 | ||||
| 12 | S | 40.5 | Very low | 58.4 | Low | 101 Ų | 101 | 108.4 Ų | 108.4 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | trans | -165.2 | 137.4 | 141.5 | -123.8 | 0 | 0 | 0 | 0 | 113 | T14 | S12-T14 VanDerWaalsContact C-N 3.32Å; S12-T14 PolarHBondContact O-N 2.86Å; S12-T14 VanDerWaalsContact O-N 3.13Å | ||
| 13 | R | 45.9 | Very low | 59.9 | Low | 248 Ų | 248 | 110.3 Ų | 110.3 | 94% | 0.936 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -83.8 | 28.8 | -162.2 | -61.2 | 170.8 | 71.7 | 114.7 | -3 | 115.1 | ||
| 14 | T | 47.3 | Very low | 61.4 | Low | 92 Ų | 92 | 104.4 Ų | 104.4 | 56% | 0.564 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -162.8 | 144.1 | 174.6 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | S12 | S12-T14 VanDerWaalsContact C-N 3.32Å; S12-T14 PolarHBondContact O-N 2.86Å; S12-T14 VanDerWaalsContact O-N 3.13Å |
| 15 | G | 50.8 | Low | 63.1 | Low | 64 Ų | 64 | 107.4 Ų | 107.4 | 66% | 0.66 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -47.3 | 150.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 16 | K | 60 | Low | 64.5 | Low | 148 Ų | 148 | 106 Ų | 106 | 64% | 0.643 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 26.6 | 90.4 | 175.3 | -64.7 | 179.8 | -180 | 170.2 | 0 | 113.9 | L18 E61 | K16-L18 PolarHBondContact O-N 3.16Å; K16-E61 IonicContact NZ-OE1 3.75Å; K16-E61 PolarHBondContact NZ-OE1 3.2Å; K16-E61 IonicContact NZ-OE2 2.75Å |
| 17 | S | 77 | Confident | 65.9 | Low | 50 Ų | 50 | 102.9 Ų | 102.9 | 35% | 0.35 | 55% | 0.551 | S | S | . | * | trans | -56.4 | 128.9 | 173.7 | 49 | 0 | 0 | 0 | 0 | 110.9 | Y19 A20 V21 | S17-Y19 PolarHBondContact O-N 3.36Å; S17-Y19 VanDerWaalsContact O-N 3.11Å; S17-A20 WeakPolarHBondContact O-CA 3.47Å; S17-A20 VanDerWaalsContact O-CB 3.32Å; S17-A20 WeakPolarHBondContact O-CB 3.37Å; S17-A20 PolarHBondContact O-N 3.02Å; S17-A20 WeakPolarHBondContact OG-CB 3.5Å; S17-V21 PolarHBondContact O-N 3.39Å | ||
| 18 | L | 83 | Confident | 67.5 | Low | 20 Ų | 20 | 99.2 Ų | 99.2 | 11% | 0.105 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -54.3 | -33.9 | -179.5 | -59.3 | 168.9 | 0 | 0 | 0 | 112.7 | K16 A20 V21 L22 A65 I68 L69 Y78 | K16-L18 PolarHBondContact O-N 3.16Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 3.12Å; L18-V21 PolarHBondContact O-N 3.37Å; L18-L22 PolarHBondContact O-N 3.36Å; L18-A65 HydrophobicContact CB-CB 4.09Å; L18-A65 HydrophobicContact CD2-CB 4.13Å; L18-I68 HydrophobicContact CD1-CB 3.92Å; L18-I68 HydrophobicContact CD1-CD1 3.58Å; L18-I68 HydrophobicContact CD1-CG1 4.36Å; L18-I68 HydrophobicContact CD1-CG2 3.51Å; L18-I68 HydrophobicContact CD2-CD1 3.63Å; L18-I68 HydrophobicContact CG-CD1 4.25Å; L18-L69 HydrophobicContact CB-CD1 4.14Å; L18-L69 HydrophobicContact CB-CG 4.33Å; L18-Y78 HydrophobicContact CD1-CD1 3.98Å; L18-Y78 HydrophobicContact CD1-CD2 3.72Å; L18-Y78 HydrophobicContact CD1-CE1 3.88Å; L18-Y78 HydrophobicContact CD1-CE2 3.62Å; L18-Y78 HydrophobicContact CD1-CG 3.88Å; L18-Y78 HydrophobicContact CG-CE1 4.26Å; L18-Y78 HydrophobicContact CG-CE2 3.96Å |
| 19 | Y | 84.4 | Confident | 69.3 | Low | 12 Ų | 12 | 99.6 Ų | 99.6 | 5% | 0.047 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 174.1 | -63.3 | -82.4 | 0 | 0 | 0 | 112.4 | S17 L22 E23 L24 K26 L69 K75 | S17-Y19 PolarHBondContact O-N 3.36Å; S17-Y19 VanDerWaalsContact O-N 3.11Å; Y19-L22 CarbonylContact O-C 3.6Å; Y19-L22 PolarHBondContact O-N 3.44Å; Y19-E23 PolarHBondContact O-N 3.33Å; Y19-L24 CarbonylContact C-O 3.51Å; Y19-L24 PolarHBondContact O-N 3.19Å; Y19-K26 HydrophobicContact CD2-CG 4.24Å; Y19-K26 HydrophobicContact CE2-CG 4.11Å; Y19-L69 HydrophobicContact CD1-CD1 4.02Å; Y19-L69 HydrophobicContact CD1-CD2 4.37Å; Y19-L69 HydrophobicContact CD2-CD2 4.49Å; Y19-L69 HydrophobicContact CE1-CD1 4.09Å; Y19-L69 HydrophobicContact CE1-CD2 3.72Å; Y19-L69 HydrophobicContact CE2-CD2 3.86Å; Y19-L69 HydrophobicContact CG-CD1 4.43Å; Y19-L69 VanDerWaalsContact CZ-CD2 3.43Å; Y19-K75 VanDerWaalsContact OH-CE 3.31Å; Y19-K75 WeakPolarHBondContact OH-CE 3.27Å |
| 20 | A | 84.3 | Confident | 71 | Confident | 54 Ų | 54 | 96.4 Ų | 96.4 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.5 | -31.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S17 L18 L22 E23 | S17-A20 WeakPolarHBondContact O-CA 3.47Å; S17-A20 VanDerWaalsContact O-CB 3.32Å; S17-A20 WeakPolarHBondContact O-CB 3.37Å; S17-A20 PolarHBondContact O-N 3.02Å; S17-A20 WeakPolarHBondContact OG-CB 3.5Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 3.12Å; A20-L22 VanDerWaalsContact C-N 3.25Å; A20-L22 PolarHBondContact O-N 3.14Å; A20-E23 PolarHBondContact O-N 3.24Å |
| 21 | V | 86.1 | Confident | 73.3 | Confident | 28 Ų | 28 | 87.4 Ų | 87.4 | 17% | 0.17 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63 | -35.1 | 174.4 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | S17 L18 E23 E61 I62 A65 | S17-V21 PolarHBondContact O-N 3.39Å; L18-V21 PolarHBondContact O-N 3.37Å; V21-E23 VanDerWaalsContact C-N 3.31Å; V21-E61 HydrophobicContact CG1-CB 3.83Å; V21-I62 HydrophobicContact CG1-CG1 4Å; V21-A65 HydrophobicContact CB-CB 4.23Å; V21-A65 HydrophobicContact CG1-CB 4.28Å |
| 22 | L | 85.5 | Confident | 75.5 | Confident | 2 Ų | 2 | 82.2 Ų | 82.2 | 1% | 0.01 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 4.3 | 174.9 | -64.7 | 177.5 | 0 | 0 | 0 | 113.4 | L18 Y19 A20 L24 I33 A36 L40 I62 A65 L69 | L18-L22 PolarHBondContact O-N 3.36Å; Y19-L22 CarbonylContact O-C 3.6Å; Y19-L22 PolarHBondContact O-N 3.44Å; A20-L22 VanDerWaalsContact C-N 3.25Å; A20-L22 PolarHBondContact O-N 3.14Å; L22-L24 HydrophobicContact CB-CD1 4.07Å; L22-L24 HydrophobicContact CB-CG 4.18Å; L22-L24 HydrophobicContact CD1-CD1 4.47Å; L22-L24 PolarHBondContact O-N 3.42Å; L22-I33 HydrophobicContact CD1-CG2 3.68Å; L22-A36 HydrophobicContact CB-CB 4.38Å; L22-L40 HydrophobicContact CD2-CD1 4.16Å; L22-I62 HydrophobicContact CD2-CG2 3.92Å; L22-A65 HydrophobicContact CD1-CB 4.26Å; L22-A65 HydrophobicContact CG-CB 4.04Å; L22-L69 HydrophobicContact CD1-CD1 3.8Å |
| 23 | E | 84.9 | Confident | 77.8 | Confident | 153 Ų | 153 | 77.4 Ų | 77.4 | 72% | 0.715 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 32.4 | -174.6 | -54.4 | -176.5 | 156 | 0 | 0 | 113.5 | Y19 A20 V21 | Y19-E23 PolarHBondContact O-N 3.33Å; A20-E23 PolarHBondContact O-N 3.24Å; V21-E23 VanDerWaalsContact C-N 3.31Å |
| 24 | L | 85.1 | Confident | 80 | Confident | 40 Ų | 40 | 70.1 Ų | 70.1 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | trans | -108.4 | 154.4 | -179.1 | -70.7 | 175.3 | 0 | 0 | 0 | 112.1 | Y19 L22 A28 D32 I33 A36 | Y19-L24 CarbonylContact C-O 3.51Å; Y19-L24 PolarHBondContact O-N 3.19Å; L22-L24 HydrophobicContact CB-CD1 4.07Å; L22-L24 HydrophobicContact CB-CG 4.18Å; L22-L24 HydrophobicContact CD1-CD1 4.47Å; L22-L24 PolarHBondContact O-N 3.42Å; L24-A28 HydrophobicContact CB-CB 4.15Å; L24-A28 HydrophobicContact CD1-CB 4.19Å; L24-A28 HydrophobicContact CD2-CB 4.5Å; L24-D32 HydrophobicContact CD2-CB 4.41Å; L24-I33 HydrophobicContact CD1-CB 4.24Å; L24-I33 HydrophobicContact CD1-CG1 3.77Å; L24-A36 HydrophobicContact CD1-CB 3.83Å; L24-A36 HydrophobicContact CD2-CB 4.21Å; L24-A36 HydrophobicContact CG-CB 3.99Å | ||
| 25 | K | 81.7 | Confident | 82.1 | Confident | 178 Ų | 178 | 71.9 Ų | 71.9 | 77% | 0.774 | 39% | 0.393 | S | S | * | . | trans | -73.7 | 146.5 | 171.3 | -164.2 | 164.5 | -177.1 | 169.2 | 0 | 110.4 | G27 A28 | K25-G27 PolarHBondContact O-N 3.34Å; K25-A28 WeakPolarHBondContact O-CB 3.27Å; K25-A28 PolarHBondContact O-N 3.23Å; K25-A28 VanDerWaalsContact O-N 3.13Å | ||
| 26 | K | 77.3 | Confident | 84 | Confident | 153 Ų | 153 | 69.4 Ų | 69.4 | 67% | 0.665 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 127.2 | 172.6 | -169.2 | -178.4 | -178.1 | -175.5 | 0 | 109.2 | Y19 | Y19-K26 HydrophobicContact CD2-CG 4.24Å; Y19-K26 HydrophobicContact CE2-CG 4.11Å |
| 27 | G | 76.1 | Confident | 85.5 | Confident | 60 Ų | 60 | 64.9 Ų | 64.9 | 62% | 0.619 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | 7.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K25 | K25-G27 PolarHBondContact O-N 3.34Š|
| 28 | A | 81.9 | Confident | 86.2 | Confident | 18 Ų | 18 | 71 Ų | 71 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | trans | -55.2 | 148.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L24 K25 D32 | L24-A28 HydrophobicContact CB-CB 4.15Å; L24-A28 HydrophobicContact CD1-CB 4.19Å; L24-A28 HydrophobicContact CD2-CB 4.5Å; K25-A28 WeakPolarHBondContact O-CB 3.27Å; K25-A28 PolarHBondContact O-N 3.23Å; K25-A28 VanDerWaalsContact O-N 3.13Å; A28-D32 HydrophobicContact CB-CB 4.49Å | ||
| 29 | E | 86.8 | Confident | 86.6 | Confident | 133 Ų | 133 | 77 Ų | 77 | 62% | 0.621 | 39% | 0.386 | S | S | * | . | trans | -73.7 | 155.2 | 179.2 | -160.4 | 177.8 | 176 | 0 | 0 | 111.1 | A31 D32 I33 | E29-A31 PolarHBondContact O-N 3.34Å; E29-D32 PolarHBondContact O-N 3.09Å; E29-I33 WeakPolarHBondContact O-CG1 3.32Å; E29-I33 PolarHBondContact O-N 3.01Å; E29-I33 VanDerWaalsContact O-N 3.09Å | ||
| 30 | T | 87.1 | Confident | 86.9 | Confident | 68 Ų | 68 | 76.8 Ų | 76.8 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.2 | -29.9 | 177.8 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | K34 | T30-K34 WeakPolarHBondContact O-CG 3.41Å; T30-K34 PolarHBondContact O-N 3.23Å; T30-K34 VanDerWaalsContact O-N 3.08Å |
| 31 | A | 89.6 | Confident | 87.1 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E29 K34 K35 | E29-A31 PolarHBondContact O-N 3.34Å; A31-K34 PolarHBondContact O-N 3.17Å; A31-K35 WeakPolarHBondContact O-CG 3.09Å; A31-K35 PolarHBondContact O-N 2.95Å; A31-K35 VanDerWaalsContact O-N 3.11Å |
| 32 | D | 90.1 | Very high | 87.2 | Confident | 64 Ų | 64 | 79.1 Ų | 79.1 | 34% | 0.342 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.8 | -37 | -179.9 | -65.6 | -32.5 | 0 | 0 | 0 | 111.8 | L24 A28 E29 K34 K35 A36 | L24-D32 HydrophobicContact CD2-CB 4.41Å; A28-D32 HydrophobicContact CB-CB 4.49Å; E29-D32 PolarHBondContact O-N 3.09Å; D32-K34 VanDerWaalsContact C-N 3.32Å; D32-K34 PolarHBondContact O-N 3.43Å; D32-K35 PolarHBondContact O-N 3.14Å; D32-K35 IonicContact OD1-NZ 3.77Å; D32-A36 WeakPolarHBondContact O-CB 3.44Å; D32-A36 PolarHBondContact O-N 2.82Å |
| 33 | I | 89.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -56.4 | -47.4 | 171.9 | -63.6 | 162.6 | 0 | 0 | 0 | 110.2 | L22 L24 E29 K35 A36 Y37 L69 | L22-I33 HydrophobicContact CD1-CG2 3.68Å; L24-I33 HydrophobicContact CD1-CB 4.24Å; L24-I33 HydrophobicContact CD1-CG1 3.77Å; E29-I33 WeakPolarHBondContact O-CG1 3.32Å; E29-I33 PolarHBondContact O-N 3.01Å; E29-I33 VanDerWaalsContact O-N 3.09Å; I33-K35 PolarHBondContact O-N 3.35Å; I33-A36 PolarHBondContact O-N 3.34Å; I33-Y37 WeakPolarHBondContact O-CB 3.34Å; I33-Y37 PolarHBondContact O-N 2.85Å; I33-L69 HydrophobicContact CD1-CB 3.78Å; I33-L69 HydrophobicContact CG1-CB 4.49Å; I33-L69 HydrophobicContact CG2-CB 4.03Å |
| 34 | K | 90.8 | Very high | 87.3 | Confident | 95 Ų | 95 | 80.7 Ų | 80.7 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 177.3 | -74.1 | 176 | -178.2 | 179.3 | 0 | 112.4 | T30 A31 D32 R38 | T30-K34 WeakPolarHBondContact O-CG 3.41Å; T30-K34 PolarHBondContact O-N 3.23Å; T30-K34 VanDerWaalsContact O-N 3.08Å; A31-K34 PolarHBondContact O-N 3.17Å; D32-K34 VanDerWaalsContact C-N 3.32Å; D32-K34 PolarHBondContact O-N 3.43Å; K34-R38 VanDerWaalsContact O-CG 3.27Å; K34-R38 WeakPolarHBondContact O-CG 3.5Å; K34-R38 PolarHBondContact O-N 3.08Å; K34-R38 VanDerWaalsContact O-N 3.16Å |
| 35 | K | 91.9 | Very high | 87.3 | Confident | 128 Ų | 128 | 82.5 Ų | 82.5 | 56% | 0.557 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.8 | -45.7 | 177 | -72.9 | 171.8 | -172.9 | 166.6 | 0 | 111.6 | A31 D32 I33 R38 K39 | A31-K35 WeakPolarHBondContact O-CG 3.09Å; A31-K35 PolarHBondContact O-N 2.95Å; A31-K35 VanDerWaalsContact O-N 3.11Å; D32-K35 PolarHBondContact O-N 3.14Å; D32-K35 IonicContact OD1-NZ 3.77Å; I33-K35 PolarHBondContact O-N 3.35Å; K35-R38 PolarHBondContact O-N 2.98Å; K35-K39 WeakPolarHBondContact O-CG 3.49Å; K35-K39 PolarHBondContact O-N 3.4Å |
| 36 | A | 91.1 | Very high | 87.4 | Confident | 13 Ų | 13 | 77.1 Ų | 77.1 | 11% | 0.107 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L22 L24 D32 I33 R38 K39 L40 | L22-A36 HydrophobicContact CB-CB 4.38Å; L24-A36 HydrophobicContact CD1-CB 3.83Å; L24-A36 HydrophobicContact CD2-CB 4.21Å; L24-A36 HydrophobicContact CG-CB 3.99Å; D32-A36 WeakPolarHBondContact O-CB 3.44Å; D32-A36 PolarHBondContact O-N 2.82Å; I33-A36 PolarHBondContact O-N 3.34Å; A36-R38 VanDerWaalsContact C-N 3.34Å; A36-R38 PolarHBondContact O-N 2.9Å; A36-K39 PolarHBondContact O-N 3.21Å; A36-K39 VanDerWaalsContact O-N 3.14Å; A36-L40 WeakPolarHBondContact O-CG 3.4Å; A36-L40 PolarHBondContact O-N 3.13Å |
| 37 | Y | 91.9 | Very high | 87.8 | Confident | 53 Ų | 53 | 76.1 Ų | 76.1 | 21% | 0.208 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -53.8 | -48.5 | 175 | 173.7 | -100.6 | 0 | 0 | 0 | 112.1 | I33 K39 L40 A41 I62 N63 H66 | I33-Y37 WeakPolarHBondContact O-CB 3.34Å; I33-Y37 PolarHBondContact O-N 2.85Å; Y37-K39 VanDerWaalsContact C-N 3.32Å; Y37-K39 PolarHBondContact O-N 3.23Å; Y37-L40 PolarHBondContact O-N 3.26Å; Y37-A41 WeakPolarHBondContact O-CB 3.37Å; Y37-A41 PolarHBondContact O-N 3.27Å; Y37-I62 HydrophobicContact CD2-CG2 3.58Å; Y37-I62 HydrophobicContact CE2-CG2 3.99Å; Y37-N63 HydrophobicContact CE2-CB 4.5Å; Y37-N63 PolarHBondContact OH-OD1 3.26Å; Y37-H66 HydrophobicContact CD2-CB 3.5Å; Y37-H66 AromaticContact CD2-CG 3.69Å; Y37-H66 HydrophobicContact CE2-CB 4.04Å; Y37-H66 HydrophobicContact CG-CB 4.02Å; Y37-H66 AromaticContact CG-CD2 3.67Å; Y37-H66 AromaticContact CG-CG 3.75Å |
| 38 | R | 91.5 | Very high | 88 | Confident | 177 Ų | 177 | 80.3 Ų | 80.3 | 67% | 0.668 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.9 | -41.1 | 179 | -71.4 | 170.9 | -175 | -154.3 | 0.5 | 112.5 | K34 K35 A36 L42 | K34-R38 VanDerWaalsContact O-CG 3.27Å; K34-R38 WeakPolarHBondContact O-CG 3.5Å; K34-R38 PolarHBondContact O-N 3.08Å; K34-R38 VanDerWaalsContact O-N 3.16Å; K35-R38 PolarHBondContact O-N 2.98Å; A36-R38 VanDerWaalsContact C-N 3.34Å; A36-R38 PolarHBondContact O-N 2.9Å; R38-L42 WeakPolarHBondContact O-CD1 3.42Å; R38-L42 VanDerWaalsContact O-CG 3.32Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 3.29Å |
| 39 | K | 91.1 | Very high | 88 | Confident | 146 Ų | 146 | 82 Ų | 82 | 64% | 0.635 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.4 | -49.3 | 178.5 | -71.2 | 179.9 | 178.6 | -175.8 | 0 | 111.4 | K35 A36 Y37 L42 Q43 | K35-K39 WeakPolarHBondContact O-CG 3.49Å; K35-K39 PolarHBondContact O-N 3.4Å; A36-K39 PolarHBondContact O-N 3.21Å; A36-K39 VanDerWaalsContact O-N 3.14Å; Y37-K39 VanDerWaalsContact C-N 3.32Å; Y37-K39 PolarHBondContact O-N 3.23Å; K39-L42 PolarHBondContact O-N 2.75Å; K39-Q43 WeakPolarHBondContact O-CG 3.37Å; K39-Q43 PolarHBondContact O-N 3.13Å |
| 40 | L | 89.6 | Confident | 87.5 | Confident | 8 Ų | 8 | 80.4 Ų | 80.4 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70.8 | -37.3 | -177.2 | -66 | 169.9 | 0 | 0 | 0 | 112.1 | L22 A36 Y37 L42 Q43 Y44 I62 | L22-L40 HydrophobicContact CD2-CD1 4.16Å; A36-L40 WeakPolarHBondContact O-CG 3.4Å; A36-L40 PolarHBondContact O-N 3.13Å; Y37-L40 PolarHBondContact O-N 3.26Å; L40-L42 VanDerWaalsContact C-N 3.27Å; L40-L42 PolarHBondContact O-N 2.95Å; L40-Q43 PolarHBondContact O-N 3.05Å; L40-Q43 VanDerWaalsContact O-N 3.12Å; L40-Y44 HydrophobicContact CD2-CE2 4.13Å; L40-Y44 WeakPolarHBondContact O-CD2 3.13Å; L40-Y44 PolarHBondContact O-N 3.33Å; L40-I62 HydrophobicContact CB-CD1 3.69Å; L40-I62 HydrophobicContact CB-CG1 4.29Å; L40-I62 HydrophobicContact CB-CG2 4.27Å; L40-I62 HydrophobicContact CD1-CD1 4.41Å; L40-I62 HydrophobicContact CD1-CG1 4.28Å |
| 41 | A | 88.5 | Confident | 87.2 | Confident | 13 Ų | 13 | 84.4 Ų | 84.4 | 11% | 0.107 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.1 | -35.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y37 H45 F59 | Y37-A41 WeakPolarHBondContact O-CB 3.37Å; Y37-A41 PolarHBondContact O-N 3.27Å; A41-H45 WeakPolarHBondContact O-CA 3.43Å; A41-H45 WeakPolarHBondContact O-CB 3.43Å; A41-H45 PolarHBondContact O-N 3.19Å; A41-H45 VanDerWaalsContact O-N 3.14Å; A41-F59 HydrophobicContact CB-CE2 3.92Å |
| 42 | L | 88.3 | Confident | 86.8 | Confident | 118 Ų | 118 | 86 Ų | 86 | 62% | 0.618 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -72.9 | -32.2 | 175.4 | -70.9 | 168.8 | 0 | 0 | 0 | 112.7 | R38 K39 L40 | R38-L42 WeakPolarHBondContact O-CD1 3.42Å; R38-L42 VanDerWaalsContact O-CG 3.32Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 3.29Å; K39-L42 PolarHBondContact O-N 2.75Å; L40-L42 VanDerWaalsContact C-N 3.27Å; L40-L42 PolarHBondContact O-N 2.95Å |
| 43 | Q | 85.9 | Confident | 86.4 | Confident | 115 Ų | 115 | 87.4 Ų | 87.4 | 54% | 0.537 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -74.7 | -44.6 | 178.6 | -69.5 | 177.1 | 19.6 | 0 | 0 | 111.8 | K39 L40 N49 | K39-Q43 WeakPolarHBondContact O-CG 3.37Å; K39-Q43 PolarHBondContact O-N 3.13Å; L40-Q43 PolarHBondContact O-N 3.05Å; L40-Q43 VanDerWaalsContact O-N 3.12Å; Q43-N49 PolarHBondContact O-ND2 3.41Å |
| 44 | Y | 87.3 | Confident | 86.1 | Confident | 73 Ų | 73 | 92.2 Ų | 92.2 | 29% | 0.286 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -100.1 | 20.9 | -176.1 | -64.3 | -74 | 0 | 0 | 0 | 113.4 | L40 A55 I58 I62 | L40-Y44 HydrophobicContact CD2-CE2 4.13Å; L40-Y44 WeakPolarHBondContact O-CD2 3.13Å; L40-Y44 PolarHBondContact O-N 3.33Å; Y44-A55 HydrophobicContact CD1-CB 4.23Å; Y44-I58 HydrophobicContact CD1-CB 4.24Å; Y44-I58 HydrophobicContact CD1-CD1 4.28Å; Y44-I58 HydrophobicContact CD1-CG2 3.94Å; Y44-I58 HydrophobicContact CD2-CG2 3.83Å; Y44-I58 HydrophobicContact CE1-CB 4.46Å; Y44-I58 HydrophobicContact CE1-CD1 3.8Å; Y44-I58 HydrophobicContact CE1-CG2 4.02Å; Y44-I58 HydrophobicContact CE2-CG2 3.92Å; Y44-I58 HydrophobicContact CG-CB 4.45Å; Y44-I58 HydrophobicContact CG-CG2 3.84Å; Y44-I62 HydrophobicContact CD2-CD1 3.76Å; Y44-I62 HydrophobicContact CE2-CD1 4.45Å; Y44-I62 HydrophobicContact CG-CD1 4.38Å |
| 45 | H | 84.3 | Confident | 85.6 | Confident | 79 Ų | 79 | 88 Ų | 88 | 37% | 0.366 | 44% | 0.439 | S | S | . | . | trans | -62.4 | 133.6 | 179.3 | -161.8 | -89.6 | 0 | 0 | 0 | 110.5 | A41 D47 K48 N49 | A41-H45 WeakPolarHBondContact O-CA 3.43Å; A41-H45 WeakPolarHBondContact O-CB 3.43Å; A41-H45 PolarHBondContact O-N 3.19Å; A41-H45 VanDerWaalsContact O-N 3.14Å; H45-D47 VanDerWaalsContact CE1-CB 3.5Å; H45-D47 WeakPolarHBondContact CE1-CB 3.42Å; H45-D47 WeakPolarHBondContact ND1-CB 3.43Å; H45-D47 PolarHBondContact ND1-N 3.4Å; H45-D47 VanDerWaalsContact ND1-N 3.19Å; H45-D47 PolarHBondContact O-N 2.8Å; H45-K48 PolarHBondContact O-N 3.49Å; H45-K48 VanDerWaalsContact O-N 3.13Å; H45-N49 PolarHBondContact O-N 3Å; H45-N49 PolarHBondContact O-ND2 2.97Å | ||
| 46 | P | 83.9 | Confident | 85.3 | Confident | 65 Ų | 65 | 83.9 Ų | 83.9 | 42% | 0.422 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30.7 | -177.8 | 24 | -34.3 | 0 | 0 | 0 | 112.9 | K48 N49 | P46-K48 VanDerWaalsContact C-N 3.32Å; P46-K48 PolarHBondContact O-N 3.33Å; P46-N49 CarbonylContact O-C 3.33Å; P46-N49 PolarHBondContact O-N 2.71Å |
| 47 | D | 85.3 | Confident | 85 | Confident | 132 Ų | 132 | 88.9 Ų | 88.9 | 71% | 0.706 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -34 | 176.3 | -168.4 | 72.6 | 0 | 0 | 0 | 113.4 | H45 | H45-D47 VanDerWaalsContact CE1-CB 3.5Å; H45-D47 WeakPolarHBondContact CE1-CB 3.42Å; H45-D47 WeakPolarHBondContact ND1-CB 3.43Å; H45-D47 PolarHBondContact ND1-N 3.4Å; H45-D47 VanDerWaalsContact ND1-N 3.19Å; H45-D47 PolarHBondContact O-N 2.8Å |
| 48 | K | 81.9 | Confident | 84.7 | Confident | 147 Ų | 147 | 89 Ų | 89 | 64% | 0.639 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -18.8 | 179.7 | -71.9 | 179.2 | 177 | -75.9 | 0 | 112.9 | H45 P46 | H45-K48 PolarHBondContact O-N 3.49Å; H45-K48 VanDerWaalsContact O-N 3.13Å; P46-K48 VanDerWaalsContact C-N 3.32Å; P46-K48 PolarHBondContact O-N 3.33Å |
| 49 | N | 80.5 | Confident | 84.5 | Confident | 54 Ų | 54 | 82.9 Ų | 82.9 | 29% | 0.289 | 43% | 0.433 | S | S | . | . | trans | -129.5 | 55.2 | -177.6 | -56.3 | -79.4 | 0 | 0 | 0 | 111.2 | Q43 H45 P46 D51 N52 A55 | Q43-N49 PolarHBondContact O-ND2 3.41Å; H45-N49 PolarHBondContact O-N 3Å; H45-N49 PolarHBondContact O-ND2 2.97Å; P46-N49 CarbonylContact O-C 3.33Å; P46-N49 PolarHBondContact O-N 2.71Å; N49-D51 PolarHBondContact O-N 3.24Å; N49-N52 HydrophobicContact CB-CB 4.39Å; N49-N52 PolarHBondContact O-N 3.35Å; N49-A55 HydrophobicContact CB-CB 3.75Å | ||
| 50 | P | 77.6 | Confident | 84.3 | Confident | 99 Ų | 99 | 82.9 Ų | 82.9 | 64% | 0.643 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -26.8 | -176.1 | 26.6 | -34.7 | 0 | 0 | 0 | 112.7 | ||
| 51 | D | 80.8 | Confident | 84.1 | Confident | 153 Ų | 153 | 85.7 Ų | 85.7 | 82% | 0.818 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -3.5 | -176.5 | -58.1 | -56.1 | 0 | 0 | 0 | 114.2 | N49 P53 | N49-D51 PolarHBondContact O-N 3.24Å; D51-P53 WeakPolarHBondContact O-CD 3.38Å |
| 52 | N | 79.9 | Confident | 84.2 | Confident | 75 Ų | 75 | 85.1 Ų | 85.1 | 40% | 0.401 | 44% | 0.441 | S | S | . | . | trans | -114.5 | 98.6 | -174.7 | -160.1 | -19.5 | 0 | 0 | 0 | 112.1 | N49 L54 A55 | N49-N52 HydrophobicContact CB-CB 4.39Å; N49-N52 PolarHBondContact O-N 3.35Å; N52-L54 PolarHBondContact O-N 3.42Å; N52-L54 WeakPolarHBondContact OD1-CB 3.22Å; N52-L54 PolarHBondContact OD1-N 2.94Å; N52-A55 HydrophobicContact CB-CB 4.32Å; N52-A55 WeakPolarHBondContact O-CB 3.46Å; N52-A55 PolarHBondContact O-N 3.49Å | ||
| 53 | P | 82.7 | Confident | 84.2 | Confident | 92 Ų | 92 | 82.9 Ų | 82.9 | 60% | 0.597 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.4 | -25.5 | 179.5 | 25.4 | -33.7 | 0 | 0 | 0 | 112.6 | D51 A55 A56 E57 | D51-P53 WeakPolarHBondContact O-CD 3.38Å; P53-A55 VanDerWaalsContact C-N 3.3Å; P53-A55 PolarHBondContact O-N 3.48Å; P53-A56 PolarHBondContact O-N 3.39Å; P53-E57 PolarHBondContact O-N 2.93Å; P53-E57 VanDerWaalsContact O-N 3.17Å |
| 54 | L | 82.8 | Confident | 84.3 | Confident | 102 Ų | 102 | 81 Ų | 81 | 53% | 0.534 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66 | -32.7 | 176.5 | -58.6 | 175.6 | 0 | 0 | 0 | 112.1 | N52 A56 E57 I58 | N52-L54 PolarHBondContact O-N 3.42Å; N52-L54 WeakPolarHBondContact OD1-CB 3.22Å; N52-L54 PolarHBondContact OD1-N 2.94Å; L54-A56 VanDerWaalsContact C-N 3.31Å; L54-A56 PolarHBondContact O-N 3.4Å; L54-E57 PolarHBondContact O-N 3.36Å; L54-I58 WeakPolarHBondContact O-CB 3.26Å; L54-I58 VanDerWaalsContact O-CG1 3.26Å; L54-I58 WeakPolarHBondContact O-CG1 3.48Å; L54-I58 PolarHBondContact O-N 3.15Å |
| 55 | A | 81.8 | Confident | 84.3 | Confident | 5 Ų | 5 | 77.5 Ų | 77.5 | 4% | 0.041 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y44 N49 N52 P53 I58 F59 | Y44-A55 HydrophobicContact CD1-CB 4.23Å; N49-A55 HydrophobicContact CB-CB 3.75Å; N52-A55 HydrophobicContact CB-CB 4.32Å; N52-A55 WeakPolarHBondContact O-CB 3.46Å; N52-A55 PolarHBondContact O-N 3.49Å; P53-A55 VanDerWaalsContact C-N 3.3Å; P53-A55 PolarHBondContact O-N 3.48Å; A55-I58 PolarHBondContact O-N 3.41Å; A55-F59 VanDerWaalsContact O-CB 3.26Å; A55-F59 WeakPolarHBondContact O-CB 3.32Å; A55-F59 PolarHBondContact O-N 3.3Å |
| 56 | A | 83.9 | Confident | 84.6 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P53 L54 K60 | P53-A56 PolarHBondContact O-N 3.39Å; L54-A56 VanDerWaalsContact C-N 3.31Å; L54-A56 PolarHBondContact O-N 3.4Å; A56-K60 WeakPolarHBondContact O-CG 3.42Å; A56-K60 PolarHBondContact O-N 3.47Å; A56-K60 VanDerWaalsContact O-N 3.1Å |
| 57 | E | 84.8 | Confident | 84.8 | Confident | 117 Ų | 117 | 74.5 Ų | 74.5 | 55% | 0.547 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 174.2 | -70 | -173.3 | 176.4 | 0 | 0 | 111.9 | P53 L54 F59 K60 E61 | P53-E57 PolarHBondContact O-N 2.93Å; P53-E57 VanDerWaalsContact O-N 3.17Å; L54-E57 PolarHBondContact O-N 3.36Å; E57-F59 VanDerWaalsContact C-N 3.32Å; E57-F59 PolarHBondContact O-N 2.89Å; E57-K60 WeakPolarHBondContact O-CB 3.3Å; E57-K60 PolarHBondContact O-N 3.41Å; E57-E61 PolarHBondContact O-N 3.1Å |
| 58 | I | 85.8 | Confident | 84.9 | Confident | 57 Ų | 57 | 68.5 Ų | 68.5 | 29% | 0.292 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 177.8 | -67.8 | 165.5 | 0 | 0 | 0 | 110.7 | Y44 L54 A55 K60 E61 I62 | Y44-I58 HydrophobicContact CD1-CB 4.24Å; Y44-I58 HydrophobicContact CD1-CD1 4.28Å; Y44-I58 HydrophobicContact CD1-CG2 3.94Å; Y44-I58 HydrophobicContact CD2-CG2 3.83Å; Y44-I58 HydrophobicContact CE1-CB 4.46Å; Y44-I58 HydrophobicContact CE1-CD1 3.8Å; Y44-I58 HydrophobicContact CE1-CG2 4.02Å; Y44-I58 HydrophobicContact CE2-CG2 3.92Å; Y44-I58 HydrophobicContact CG-CB 4.45Å; Y44-I58 HydrophobicContact CG-CG2 3.84Å; L54-I58 WeakPolarHBondContact O-CB 3.26Å; L54-I58 VanDerWaalsContact O-CG1 3.26Å; L54-I58 WeakPolarHBondContact O-CG1 3.48Å; L54-I58 PolarHBondContact O-N 3.15Å; A55-I58 PolarHBondContact O-N 3.41Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 3.47Å; I58-E61 PolarHBondContact O-N 2.92Å; I58-E61 VanDerWaalsContact O-N 3.15Å; I58-I62 HydrophobicContact CG2-CD1 3.62Å; I58-I62 HydrophobicContact CG2-CG1 4.3Å; I58-I62 WeakPolarHBondContact O-CD1 3.26Å; I58-I62 VanDerWaalsContact O-CG1 3.3Å; I58-I62 WeakPolarHBondContact O-CG1 3.35Å; I58-I62 PolarHBondContact O-N 2.88Å |
| 59 | F | 87.4 | Confident | 85.1 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 21% | 0.211 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 176.6 | -173.4 | -95.3 | 0 | 0 | 0 | 112.3 | A41 A55 E57 I62 N63 | A41-F59 HydrophobicContact CB-CE2 3.92Å; A55-F59 VanDerWaalsContact O-CB 3.26Å; A55-F59 WeakPolarHBondContact O-CB 3.32Å; A55-F59 PolarHBondContact O-N 3.3Å; E57-F59 VanDerWaalsContact C-N 3.32Å; E57-F59 PolarHBondContact O-N 2.89Å; F59-I62 PolarHBondContact O-N 3.17Å; F59-N63 WeakPolarHBondContact O-CB 3.34Å; F59-N63 PolarHBondContact O-N 3.06Å |
| 60 | K | 86.8 | Confident | 85.4 | Confident | 145 Ų | 145 | 61.4 Ų | 61.4 | 63% | 0.63 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.8 | -45 | 173.1 | -73.5 | 172.2 | -177.1 | 177.9 | 0 | 111.1 | A56 E57 I58 N63 T64 | A56-K60 WeakPolarHBondContact O-CG 3.42Å; A56-K60 PolarHBondContact O-N 3.47Å; A56-K60 VanDerWaalsContact O-N 3.1Å; E57-K60 WeakPolarHBondContact O-CB 3.3Å; E57-K60 PolarHBondContact O-N 3.41Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 3.47Å; K60-N63 PolarHBondContact O-N 3.17Å; K60-T64 WeakPolarHBondContact O-CB 3.31Å; K60-T64 PolarHBondContact O-N 3.02Å; K60-T64 PolarHBondContact O-OG1 3.31Å |
| 61 | E | 86.8 | Confident | 86 | Confident | 68 Ų | 68 | 58.9 Ų | 58.9 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 176.8 | -67.6 | -169.8 | 179.7 | 0 | 0 | 111.4 | K16 V21 E57 I58 N63 T64 A65 | K16-E61 IonicContact NZ-OE1 3.75Å; K16-E61 PolarHBondContact NZ-OE1 3.2Å; K16-E61 IonicContact NZ-OE2 2.75Å; V21-E61 HydrophobicContact CG1-CB 3.83Å; E57-E61 PolarHBondContact O-N 3.1Å; I58-E61 PolarHBondContact O-N 2.92Å; I58-E61 VanDerWaalsContact O-N 3.15Å; E61-N63 PolarHBondContact O-N 3.2Å; E61-T64 PolarHBondContact O-N 3.11Å; E61-A65 WeakPolarHBondContact O-CB 3.16Å; E61-A65 PolarHBondContact O-N 3.31Å |
| 62 | I | 89.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60 | -46.7 | 177.7 | -69.8 | 157.9 | 0 | 0 | 0 | 111.4 | V21 L22 Y37 L40 Y44 I58 F59 T64 A65 H66 | V21-I62 HydrophobicContact CG1-CG1 4Å; L22-I62 HydrophobicContact CD2-CG2 3.92Å; Y37-I62 HydrophobicContact CD2-CG2 3.58Å; Y37-I62 HydrophobicContact CE2-CG2 3.99Å; L40-I62 HydrophobicContact CB-CD1 3.69Å; L40-I62 HydrophobicContact CB-CG1 4.29Å; L40-I62 HydrophobicContact CB-CG2 4.27Å; L40-I62 HydrophobicContact CD1-CD1 4.41Å; L40-I62 HydrophobicContact CD1-CG1 4.28Å; Y44-I62 HydrophobicContact CD2-CD1 3.76Å; Y44-I62 HydrophobicContact CE2-CD1 4.45Å; Y44-I62 HydrophobicContact CG-CD1 4.38Å; I58-I62 HydrophobicContact CG2-CD1 3.62Å; I58-I62 HydrophobicContact CG2-CG1 4.3Å; I58-I62 WeakPolarHBondContact O-CD1 3.26Å; I58-I62 VanDerWaalsContact O-CG1 3.3Å; I58-I62 WeakPolarHBondContact O-CG1 3.35Å; I58-I62 PolarHBondContact O-N 2.88Å; F59-I62 PolarHBondContact O-N 3.17Å; I62-T64 VanDerWaalsContact C-N 3.33Å; I62-T64 PolarHBondContact O-N 3.25Å; I62-A65 PolarHBondContact O-N 3.42Å; I62-H66 WeakPolarHBondContact O-CB 3.32Å; I62-H66 PolarHBondContact O-N 2.82Å |
| 63 | N | 89 | Confident | 86.5 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | -178.7 | -161.3 | 36.6 | 0 | 0 | 0 | 111.3 | Y37 F59 K60 E61 H66 A67 | Y37-N63 HydrophobicContact CE2-CB 4.5Å; Y37-N63 PolarHBondContact OH-OD1 3.26Å; F59-N63 WeakPolarHBondContact O-CB 3.34Å; F59-N63 PolarHBondContact O-N 3.06Å; K60-N63 PolarHBondContact O-N 3.17Å; E61-N63 PolarHBondContact O-N 3.2Å; N63-H66 PolarHBondContact O-N 3.15Å; N63-A67 WeakPolarHBondContact O-CB 3.43Å; N63-A67 PolarHBondContact O-N 3Å |
| 64 | T | 87.1 | Confident | 86.7 | Confident | 75 Ų | 75 | 51.9 Ų | 51.9 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 175.6 | -54.1 | 0 | 0 | 0 | 0 | 110.4 | K60 E61 I62 H66 A67 I68 | K60-T64 WeakPolarHBondContact O-CB 3.31Å; K60-T64 PolarHBondContact O-N 3.02Å; K60-T64 PolarHBondContact O-OG1 3.31Å; E61-T64 PolarHBondContact O-N 3.11Å; I62-T64 VanDerWaalsContact C-N 3.33Å; I62-T64 PolarHBondContact O-N 3.25Å; T64-H66 PolarHBondContact O-N 2.99Å; T64-A67 PolarHBondContact O-N 3.45Å; T64-I68 HydrophobicContact CG2-CD1 3.76Å; T64-I68 WeakPolarHBondContact O-CD1 3.29Å; T64-I68 WeakPolarHBondContact O-CG1 3.36Å; T64-I68 PolarHBondContact O-N 3.38Å; T64-I68 VanDerWaalsContact O-N 3.13Å |
| 65 | A | 88.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L18 V21 L22 E61 I62 I68 L69 | L18-A65 HydrophobicContact CB-CB 4.09Å; L18-A65 HydrophobicContact CD2-CB 4.13Å; V21-A65 HydrophobicContact CB-CB 4.23Å; V21-A65 HydrophobicContact CG1-CB 4.28Å; L22-A65 HydrophobicContact CD1-CB 4.26Å; L22-A65 HydrophobicContact CG-CB 4.04Å; E61-A65 WeakPolarHBondContact O-CB 3.16Å; E61-A65 PolarHBondContact O-N 3.31Å; I62-A65 PolarHBondContact O-N 3.42Å; A65-I68 PolarHBondContact O-N 3.27Å; A65-L69 WeakPolarHBondContact O-CB 3.43Å; A65-L69 VanDerWaalsContact O-CG 3.29Å; A65-L69 WeakPolarHBondContact O-CG 3.41Å; A65-L69 PolarHBondContact O-N 3.45Å |
| 66 | H | 90.4 | Very high | 86.9 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 17% | 0.167 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.8 | 174.6 | -97.4 | 0 | 0 | 0 | 112.2 | Y37 I62 N63 T64 I68 L69 T70 | Y37-H66 HydrophobicContact CD2-CB 3.5Å; Y37-H66 AromaticContact CD2-CG 3.69Å; Y37-H66 HydrophobicContact CE2-CB 4.04Å; Y37-H66 HydrophobicContact CG-CB 4.02Å; Y37-H66 AromaticContact CG-CD2 3.67Å; Y37-H66 AromaticContact CG-CG 3.75Å; I62-H66 WeakPolarHBondContact O-CB 3.32Å; I62-H66 PolarHBondContact O-N 2.82Å; N63-H66 PolarHBondContact O-N 3.15Å; T64-H66 PolarHBondContact O-N 2.99Å; H66-I68 VanDerWaalsContact C-N 3.27Å; H66-I68 PolarHBondContact O-N 3.41Å; H66-L69 PolarHBondContact O-N 3.13Å; H66-T70 PolarHBondContact NE2-OG1 3.46Å; H66-T70 WeakPolarHBondContact O-CB 3.18Å; H66-T70 PolarHBondContact O-N 2.9Å; H66-T70 PolarHBondContact O-OG1 2.96Å |
| 67 | A | 87.6 | Confident | 86.9 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 37% | 0.372 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -34.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N63 T64 | N63-A67 WeakPolarHBondContact O-CB 3.43Å; N63-A67 PolarHBondContact O-N 3Å; T64-A67 PolarHBondContact O-N 3.45Å |
| 68 | I | 87 | Confident | 86.8 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -79 | -44.2 | -179.8 | -59.6 | 154.1 | 0 | 0 | 0 | 111.3 | L18 T64 A65 H66 K74 K75 L86 | L18-I68 HydrophobicContact CD1-CB 3.92Å; L18-I68 HydrophobicContact CD1-CD1 3.58Å; L18-I68 HydrophobicContact CD1-CG1 4.36Å; L18-I68 HydrophobicContact CD1-CG2 3.51Å; L18-I68 HydrophobicContact CD2-CD1 3.63Å; L18-I68 HydrophobicContact CG-CD1 4.25Å; T64-I68 HydrophobicContact CG2-CD1 3.76Å; T64-I68 WeakPolarHBondContact O-CD1 3.29Å; T64-I68 WeakPolarHBondContact O-CG1 3.36Å; T64-I68 PolarHBondContact O-N 3.38Å; T64-I68 VanDerWaalsContact O-N 3.13Å; A65-I68 PolarHBondContact O-N 3.27Å; H66-I68 VanDerWaalsContact C-N 3.27Å; H66-I68 PolarHBondContact O-N 3.41Å; I68-K74 HydrophobicContact CG2-CB 4.11Å; I68-K75 PolarHBondContact O-N 2.75Å; I68-L86 HydrophobicContact CB-CD1 4.38Å; I68-L86 HydrophobicContact CD1-CD1 4.35Å; I68-L86 HydrophobicContact CD1-CD2 3.17Å; I68-L86 HydrophobicContact CD1-CG 4.32Å; I68-L86 HydrophobicContact CG1-CD1 3.91Å; I68-L86 HydrophobicContact CG1-CD2 3.58Å; I68-L86 HydrophobicContact CG1-CG 4.26Å; I68-L86 HydrophobicContact CG2-CD1 3.62Å; I68-L86 HydrophobicContact CG2-CD2 4.41Å |
| 69 | L | 85.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -79.6 | -20.8 | -174 | -65.5 | 176.7 | 0 | 0 | 0 | 113.2 | L18 Y19 L22 I33 A65 H66 | L18-L69 HydrophobicContact CB-CD1 4.14Å; L18-L69 HydrophobicContact CB-CG 4.33Å; Y19-L69 HydrophobicContact CD1-CD1 4.02Å; Y19-L69 HydrophobicContact CD1-CD2 4.37Å; Y19-L69 HydrophobicContact CD2-CD2 4.49Å; Y19-L69 HydrophobicContact CE1-CD1 4.09Å; Y19-L69 HydrophobicContact CE1-CD2 3.72Å; Y19-L69 HydrophobicContact CE2-CD2 3.86Å; Y19-L69 HydrophobicContact CG-CD1 4.43Å; Y19-L69 VanDerWaalsContact CZ-CD2 3.43Å; L22-L69 HydrophobicContact CD1-CD1 3.8Å; I33-L69 HydrophobicContact CD1-CB 3.78Å; I33-L69 HydrophobicContact CG1-CB 4.49Å; I33-L69 HydrophobicContact CG2-CB 4.03Å; A65-L69 WeakPolarHBondContact O-CB 3.43Å; A65-L69 VanDerWaalsContact O-CG 3.29Å; A65-L69 WeakPolarHBondContact O-CG 3.41Å; A65-L69 PolarHBondContact O-N 3.45Å; H66-L69 PolarHBondContact O-N 3.13Å |
| 70 | T | 88.1 | Confident | 86.3 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -75.2 | -32.1 | 174.7 | -59.6 | 0 | 0 | 0 | 0 | 112 | H66 | H66-T70 PolarHBondContact NE2-OG1 3.46Å; H66-T70 WeakPolarHBondContact O-CB 3.18Å; H66-T70 PolarHBondContact O-N 2.9Å; H66-T70 PolarHBondContact O-OG1 2.96Å |
| 71 | D | 88.8 | Confident | 85.8 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 24% | 0.241 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -90.6 | 119.1 | -178.3 | -171.8 | -37.6 | 0 | 0 | 0 | 110.5 | T73 K74 K75 | D71-T73 PolarHBondContact O-N 2.69Å; D71-T73 WeakPolarHBondContact OD1-CB 3.15Å; D71-T73 PolarHBondContact OD1-N 3.13Å; D71-K74 HydrophobicContact CB-CB 4.04Å; D71-K74 HydrophobicContact CB-CD 3.94Å; D71-K74 HydrophobicContact CB-CG 3.95Å; D71-K74 PolarHBondContact O-N 3.36Å; D71-K74 PolarHBondContact OD1-N 3.4Å; D71-K75 WeakPolarHBondContact O-CB 3.42Å; D71-K75 PolarHBondContact O-N 3.03Å |
| 72 | P | 86.9 | Confident | 85.6 | Confident | 87 Ų | 87 | 54.4 Ų | 54.4 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.8 | -29.3 | -178.8 | 27.3 | -34.7 | 0 | 0 | 0 | 112.9 | K76 | P72-K76 VanDerWaalsContact O-CG 3.27Å; P72-K76 WeakPolarHBondContact O-CG 3.2Å; P72-K76 PolarHBondContact O-N 3.17Å; P72-K76 VanDerWaalsContact O-N 3.15Å |
| 73 | T | 85.9 | Confident | 85 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 27% | 0.27 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73.3 | -49.2 | 179.1 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | D71 K75 K76 I77 Y89 E94 | D71-T73 PolarHBondContact O-N 2.69Å; D71-T73 WeakPolarHBondContact OD1-CB 3.15Å; D71-T73 PolarHBondContact OD1-N 3.13Å; T73-K75 VanDerWaalsContact C-N 3.29Å; T73-K75 PolarHBondContact O-N 3Å; T73-K76 WeakPolarHBondContact O-CB 3.29Å; T73-K76 PolarHBondContact O-N 2.89Å; T73-K76 VanDerWaalsContact O-N 3.15Å; T73-I77 HydrophobicContact CG2-CD1 4.03Å; T73-I77 WeakPolarHBondContact O-CG1 3.34Å; T73-I77 PolarHBondContact O-N 3.44Å; T73-Y89 HydrophobicContact CG2-CE2 4.33Å; T73-E94 HydrophobicContact CG2-CG 3.98Å; T73-E94 VanDerWaalsContact CG2-OE1 3.28Å; T73-E94 WeakPolarHBondContact CG2-OE1 3.41Å |
| 74 | K | 85.6 | Confident | 84.6 | Confident | 43 Ų | 43 | 58 Ų | 58 | 19% | 0.187 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 177 | -63.8 | -178.2 | 177.1 | -179.5 | 0 | 111.9 | I68 D71 I77 Y78 L86 Y89 | I68-K74 HydrophobicContact CG2-CB 4.11Å; D71-K74 HydrophobicContact CB-CB 4.04Å; D71-K74 HydrophobicContact CB-CD 3.94Å; D71-K74 HydrophobicContact CB-CG 3.95Å; D71-K74 PolarHBondContact O-N 3.36Å; D71-K74 PolarHBondContact OD1-N 3.4Å; K74-I77 PolarHBondContact O-N 2.99Å; K74-Y78 WeakPolarHBondContact O-CB 3.41Å; K74-Y78 PolarHBondContact O-N 3.15Å; K74-L86 HydrophobicContact CB-CD1 4.25Å; K74-Y89 HydrophobicContact CD-CD1 4.45Å; K74-Y89 HydrophobicContact CD-CE1 4.11Å; K74-Y89 HydrophobicContact CG-CD1 4.22Å; K74-Y89 HydrophobicContact CG-CE1 3.92Å; K74-Y89 HydrophobicContact CG-CE2 4.07Å |
| 75 | K | 85.1 | Confident | 84.3 | Confident | 55 Ų | 55 | 54.4 Ų | 54.4 | 24% | 0.239 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 173.9 | -177.7 | 174.7 | 174.5 | 172.9 | 0 | 112 | Y19 I68 D71 T73 I77 Y78 D79 | Y19-K75 VanDerWaalsContact OH-CE 3.31Å; Y19-K75 WeakPolarHBondContact OH-CE 3.27Å; I68-K75 PolarHBondContact O-N 2.75Å; D71-K75 WeakPolarHBondContact O-CB 3.42Å; D71-K75 PolarHBondContact O-N 3.03Å; T73-K75 VanDerWaalsContact C-N 3.29Å; T73-K75 PolarHBondContact O-N 3Å; K75-I77 VanDerWaalsContact C-N 3.34Å; K75-I77 PolarHBondContact O-N 3.3Å; K75-Y78 PolarHBondContact O-N 3.45Å; K75-D79 WeakPolarHBondContact O-CB 3.28Å; K75-D79 VanDerWaalsContact O-CG 3.31Å; K75-D79 PolarHBondContact O-N 2.88Å |
| 76 | K | 84.6 | Confident | 84 | Confident | 149 Ų | 149 | 55.9 Ų | 55.9 | 65% | 0.648 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.9 | -41.5 | 176.4 | -75.4 | 171.5 | -176.4 | 176.8 | 0 | 112.3 | P72 T73 D79 R80 | P72-K76 VanDerWaalsContact O-CG 3.27Å; P72-K76 WeakPolarHBondContact O-CG 3.2Å; P72-K76 PolarHBondContact O-N 3.17Å; P72-K76 VanDerWaalsContact O-N 3.15Å; T73-K76 WeakPolarHBondContact O-CB 3.29Å; T73-K76 PolarHBondContact O-N 2.89Å; T73-K76 VanDerWaalsContact O-N 3.15Å; K76-D79 PolarHBondContact O-N 2.91Å; K76-R80 VanDerWaalsContact O-CB 3.29Å; K76-R80 WeakPolarHBondContact O-CB 3.42Å; K76-R80 PolarHBondContact O-N 3.38Å |
| 77 | I | 84.2 | Confident | 83.6 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.1 | -44 | 178.7 | -68.1 | 169.7 | 0 | 0 | 0 | 110.5 | T73 K74 K75 R80 H81 G85 Y89 V97 | T73-I77 HydrophobicContact CG2-CD1 4.03Å; T73-I77 WeakPolarHBondContact O-CG1 3.34Å; T73-I77 PolarHBondContact O-N 3.44Å; K74-I77 PolarHBondContact O-N 2.99Å; K75-I77 VanDerWaalsContact C-N 3.34Å; K75-I77 PolarHBondContact O-N 3.3Å; I77-R80 PolarHBondContact O-N 3.45Å; I77-H81 WeakPolarHBondContact O-CA 3.48Å; I77-H81 WeakPolarHBondContact O-CB 3.45Å; I77-H81 PolarHBondContact O-N 2.76Å; I77-G85 VanDerWaalsContact CG2-C 3.43Å; I77-G85 WeakPolarHBondContact CG2-O 3.49Å; I77-Y89 HydrophobicContact CD1-CD2 3.4Å; I77-Y89 VanDerWaalsContact CD1-CD2 3.4Å; I77-Y89 HydrophobicContact CD1-CE2 3.9Å; I77-Y89 HydrophobicContact CD1-CG 4.43Å; I77-V97 HydrophobicContact CD1-CG1 4.39Å; I77-V97 HydrophobicContact CD1-CG2 4.43Å; I77-V97 HydrophobicContact CG2-CG1 4.1Å |
| 78 | Y | 82.1 | Confident | 83.3 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 17% | 0.169 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.5 | -178.3 | -101.8 | 0 | 0 | 0 | 112 | L18 K74 K75 R80 G82 | L18-Y78 HydrophobicContact CD1-CD1 3.98Å; L18-Y78 HydrophobicContact CD1-CD2 3.72Å; L18-Y78 HydrophobicContact CD1-CE1 3.88Å; L18-Y78 HydrophobicContact CD1-CE2 3.62Å; L18-Y78 HydrophobicContact CD1-CG 3.88Å; L18-Y78 HydrophobicContact CG-CE1 4.26Å; L18-Y78 HydrophobicContact CG-CE2 3.96Å; K74-Y78 WeakPolarHBondContact O-CB 3.41Å; K74-Y78 PolarHBondContact O-N 3.15Å; K75-Y78 PolarHBondContact O-N 3.45Å; Y78-R80 VanDerWaalsContact C-N 3.28Å; Y78-R80 PolarHBondContact O-N 3.34Å; Y78-G82 WeakPolarHBondContact O-CA 3.43Å; Y78-G82 PolarHBondContact O-N 3.36Å |
| 79 | D | 81.9 | Confident | 83 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 46% | 0.46 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.9 | -30.7 | 178.6 | -73.4 | -25 | 0 | 0 | 0 | 112.4 | K75 K76 | K75-D79 WeakPolarHBondContact O-CB 3.28Å; K75-D79 VanDerWaalsContact O-CG 3.31Å; K75-D79 PolarHBondContact O-N 2.88Å; K76-D79 PolarHBondContact O-N 2.91Å |
| 80 | R | 80.8 | Confident | 82.8 | Confident | 204 Ų | 204 | 68.2 Ų | 68.2 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -91.1 | -40.4 | -178.4 | -175.1 | 178.5 | -75.8 | -128.3 | -1.9 | 114.2 | K76 I77 Y78 | K76-R80 VanDerWaalsContact O-CB 3.29Å; K76-R80 WeakPolarHBondContact O-CB 3.42Å; K76-R80 PolarHBondContact O-N 3.38Å; I77-R80 PolarHBondContact O-N 3.45Å; Y78-R80 VanDerWaalsContact C-N 3.28Å; Y78-R80 PolarHBondContact O-N 3.34Å |
| 81 | H | 76.9 | Confident | 82.3 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 28% | 0.278 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -123.4 | -1.3 | -167.7 | -61.2 | -68.8 | 0 | 0 | 0 | 113.5 | I77 G85 F101 | I77-H81 WeakPolarHBondContact O-CA 3.48Å; I77-H81 WeakPolarHBondContact O-CB 3.45Å; I77-H81 PolarHBondContact O-N 2.76Å; H81-G85 PolarHBondContact O-N 3.44Å; H81-F101 HydrophobicContact CB-CE2 3.88Å; H81-F101 HydrophobicContact CB-CZ 3.74Å; H81-F101 AromaticContact CD2-CE2 3.68Å; H81-F101 AromaticContact CE1-CD1 3.69Å; H81-F101 AromaticContact CE1-CD2 3.41Å; H81-F101 VanDerWaalsContact CE1-CD2 3.41Å; H81-F101 WeakPolarHBondContact CE1-CD2 3.31Å; H81-F101 AromaticContact CE1-CE1 3.73Å; H81-F101 AromaticContact CE1-CE2 3.48Å; H81-F101 VanDerWaalsContact CE1-CE2 3.48Å; H81-F101 WeakPolarHBondContact CE1-CE2 3.4Å; H81-F101 AromaticContact CE1-CG 3.56Å; H81-F101 AromaticContact CE1-CZ 3.65Å; H81-F101 AromaticContact CG-CE2 3.34Å; H81-F101 AromaticContact CG-CZ 3.43Å; H81-F101 VanDerWaalsContact CG-CZ 3.43Å; H81-F101 AromaticContact ND1-CD1 3.77Å; H81-F101 AromaticContact ND1-CD2 3.69Å; H81-F101 AromaticContact ND1-CE1 3.31Å; H81-F101 VanDerWaalsContact ND1-CE1 3.31Å; H81-F101 WeakPolarHBondContact ND1-CE1 3.24Å; H81-F101 AromaticContact ND1-CE2 3.23Å; H81-F101 WeakPolarHBondContact ND1-CE2 3.16Å; H81-F101 AromaticContact ND1-CG 3.98Å; H81-F101 AromaticContact ND1-CZ 3.04Å; H81-F101 WeakPolarHBondContact ND1-CZ 3.19Å; H81-F101 AromaticContact NE2-CD2 3.67Å; H81-F101 AromaticContact NE2-CE2 3.79Å |
| 82 | G | 81.4 | Confident | 81.6 | Confident | 21 Ų | 21 | 75.9 Ų | 75.9 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | 66.5 | -150.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y78 L84 L86 | Y78-G82 WeakPolarHBondContact O-CA 3.43Å; Y78-G82 PolarHBondContact O-N 3.36Å; G82-L84 VanDerWaalsContact C-N 3.31Å; G82-L84 PolarHBondContact O-N 3.47Å; G82-L86 PolarHBondContact O-N 3.3Å |
| 83 | S | 77.9 | Confident | 81.1 | Confident | 66 Ų | 66 | 73 Ų | 73 | 46% | 0.462 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.3 | -31.2 | -180 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | L86 Y87 | S83-L86 WeakPolarHBondContact O-CB 3.44Å; S83-L86 PolarHBondContact O-N 3.49Å; S83-Y87 PolarHBondContact O-N 3.47Å |
| 84 | L | 80.3 | Confident | 80.3 | Confident | 82 Ų | 82 | 75.6 Ų | 75.6 | 43% | 0.429 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 179.2 | -179.3 | 63.4 | 0 | 0 | 0 | 111.6 | G82 L86 Y87 L88 Y100 | G82-L84 VanDerWaalsContact C-N 3.31Å; G82-L84 PolarHBondContact O-N 3.47Å; L84-L86 PolarHBondContact O-N 3.15Å; L84-Y87 PolarHBondContact O-N 3.25Å; L84-L88 HydrophobicContact CD1-CD1 3.61Å; L84-L88 HydrophobicContact CG-CD1 3.93Å; L84-L88 WeakPolarHBondContact O-CD1 3.46Å; L84-L88 PolarHBondContact O-N 3.04Å; L84-Y100 HydrophobicContact CD2-CE1 4.48Å |
| 85 | G | 80.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.2 | -33.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I77 H81 Y89 V97 | I77-G85 VanDerWaalsContact CG2-C 3.43Å; I77-G85 WeakPolarHBondContact CG2-O 3.49Å; H81-G85 PolarHBondContact O-N 3.44Å; G85-Y89 WeakPolarHBondContact O-CB 3.16Å; G85-Y89 PolarHBondContact O-N 3.5Å; G85-V97 WeakPolarHBondContact O-CG2 3.04Å |
| 86 | L | 83 | Confident | 79 | Confident | 30 Ų | 30 | 78.3 Ų | 78.3 | 16% | 0.157 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -72.4 | -39.4 | 177.1 | -155.7 | 85.7 | 0 | 0 | 0 | 113.1 | I68 K74 G82 S83 L84 L88 Y89 D90 | I68-L86 HydrophobicContact CB-CD1 4.38Å; I68-L86 HydrophobicContact CD1-CD1 4.35Å; I68-L86 HydrophobicContact CD1-CD2 3.17Å; I68-L86 HydrophobicContact CD1-CG 4.32Å; I68-L86 HydrophobicContact CG1-CD1 3.91Å; I68-L86 HydrophobicContact CG1-CD2 3.58Å; I68-L86 HydrophobicContact CG1-CG 4.26Å; I68-L86 HydrophobicContact CG2-CD1 3.62Å; I68-L86 HydrophobicContact CG2-CD2 4.41Å; K74-L86 HydrophobicContact CB-CD1 4.25Å; G82-L86 PolarHBondContact O-N 3.3Å; S83-L86 WeakPolarHBondContact O-CB 3.44Å; S83-L86 PolarHBondContact O-N 3.49Å; L84-L86 PolarHBondContact O-N 3.15Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.47Å; L86-Y89 WeakPolarHBondContact O-CB 3.49Å; L86-Y89 PolarHBondContact O-N 3.07Å; L86-D90 PolarHBondContact O-N 3.44Å |
| 87 | Y | 82.1 | Confident | 78.6 | Confident | 154 Ų | 154 | 71.5 Ų | 71.5 | 60% | 0.604 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.9 | -44.5 | 173.7 | 177.4 | -98.4 | 0 | 0 | 0 | 111.6 | S83 L84 Y89 D90 H91 | S83-Y87 PolarHBondContact O-N 3.47Å; L84-Y87 PolarHBondContact O-N 3.25Å; Y87-Y89 VanDerWaalsContact C-N 3.32Å; Y87-Y89 PolarHBondContact O-N 3.01Å; Y87-D90 PolarHBondContact O-N 3.26Å; Y87-H91 PolarHBondContact O-N 3.3Å; Y87-H91 VanDerWaalsContact O-N 3.14Å |
| 88 | L | 80.8 | Confident | 78 | Confident | 11 Ų | 11 | 78.3 Ų | 78.3 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.2 | -36 | 176.6 | -87.8 | 84 | 0 | 0 | 0 | 112.5 | L84 L86 D90 H91 F92 V97 Y100 | L84-L88 HydrophobicContact CD1-CD1 3.61Å; L84-L88 HydrophobicContact CG-CD1 3.93Å; L84-L88 WeakPolarHBondContact O-CD1 3.46Å; L84-L88 PolarHBondContact O-N 3.04Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.47Å; L88-D90 VanDerWaalsContact C-N 3.35Å; L88-H91 PolarHBondContact O-N 2.97Å; L88-F92 WeakPolarHBondContact O-CA 3.37Å; L88-F92 WeakPolarHBondContact O-CB 3.42Å; L88-F92 PolarHBondContact O-N 3.37Å; L88-V97 HydrophobicContact CB-CG2 3.84Å; L88-Y100 HydrophobicContact CD2-CD1 3.32Å; L88-Y100 HydrophobicContact CD2-CD2 3.62Å; L88-Y100 HydrophobicContact CD2-CE1 3.99Å; L88-Y100 HydrophobicContact CD2-CE2 4.24Å; L88-Y100 HydrophobicContact CD2-CG 3.09Å |
| 89 | Y | 81.1 | Confident | 77.5 | Confident | 39 Ų | 39 | 82.3 Ų | 82.3 | 15% | 0.153 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 175.3 | -174 | -76.8 | 0 | 0 | 0 | 111.3 | T73 K74 I77 G85 L86 Y87 H91 G93 E94 V97 | T73-Y89 HydrophobicContact CG2-CE2 4.33Å; K74-Y89 HydrophobicContact CD-CD1 4.45Å; K74-Y89 HydrophobicContact CD-CE1 4.11Å; K74-Y89 HydrophobicContact CG-CD1 4.22Å; K74-Y89 HydrophobicContact CG-CE1 3.92Å; K74-Y89 HydrophobicContact CG-CE2 4.07Å; I77-Y89 HydrophobicContact CD1-CD2 3.4Å; I77-Y89 VanDerWaalsContact CD1-CD2 3.4Å; I77-Y89 HydrophobicContact CD1-CE2 3.9Å; I77-Y89 HydrophobicContact CD1-CG 4.43Å; G85-Y89 WeakPolarHBondContact O-CB 3.16Å; G85-Y89 PolarHBondContact O-N 3.5Å; L86-Y89 WeakPolarHBondContact O-CB 3.49Å; L86-Y89 PolarHBondContact O-N 3.07Å; Y87-Y89 VanDerWaalsContact C-N 3.32Å; Y87-Y89 PolarHBondContact O-N 3.01Å; Y89-H91 VanDerWaalsContact C-N 3.31Å; Y89-H91 PolarHBondContact O-N 3.19Å; Y89-G93 WeakPolarHBondContact O-CA 3.48Å; Y89-G93 PolarHBondContact O-N 3.12Å; Y89-E94 HydrophobicContact CD2-CG 4.01Å; Y89-E94 HydrophobicContact CE2-CB 4.33Å; Y89-E94 HydrophobicContact CE2-CG 3.23Å; Y89-E94 PolarHBondContact OH-OE1 3.14Å; Y89-V97 HydrophobicContact CD2-CG2 4.39Å; Y89-V97 VanDerWaalsContact N-CG2 3.28Å |
| 90 | D | 80.1 | Confident | 76.9 | Confident | 143 Ų | 143 | 82.8 Ų | 82.8 | 77% | 0.765 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67 | -34.7 | -177.5 | -157.4 | 60 | 0 | 0 | 0 | 112 | L86 Y87 L88 | L86-D90 PolarHBondContact O-N 3.44Å; Y87-D90 PolarHBondContact O-N 3.26Å; L88-D90 VanDerWaalsContact C-N 3.35Å |
| 91 | H | 78.3 | Confident | 76.4 | Confident | 120 Ų | 120 | 75.3 Ų | 75.3 | 56% | 0.556 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -89.4 | -35.6 | -177.4 | -161.9 | 90.3 | 0 | 0 | 0 | 114.4 | Y87 L88 Y89 | Y87-H91 PolarHBondContact O-N 3.3Å; Y87-H91 VanDerWaalsContact O-N 3.14Å; L88-H91 PolarHBondContact O-N 2.97Å; Y89-H91 VanDerWaalsContact C-N 3.31Å; Y89-H91 PolarHBondContact O-N 3.19Å |
| 92 | F | 75 | Confident | 76 | Confident | 137 Ų | 137 | 76.2 Ų | 76.2 | 60% | 0.601 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -127.3 | -0.8 | -171.8 | -62.5 | -75 | 0 | 0 | 0 | 114.3 | L88 G96 | L88-F92 WeakPolarHBondContact O-CA 3.37Å; L88-F92 WeakPolarHBondContact O-CB 3.42Å; L88-F92 PolarHBondContact O-N 3.37Å; F92-G96 PolarHBondContact O-N 3.44Å |
| 93 | G | 76.1 | Confident | 75.2 | Confident | 28 Ų | 28 | 77.4 Ų | 77.4 | 29% | 0.289 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | 75.7 | -176.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y89 E95 G96 V97 | Y89-G93 WeakPolarHBondContact O-CA 3.48Å; Y89-G93 PolarHBondContact O-N 3.12Å; G93-E95 VanDerWaalsContact C-N 3.32Å; G93-E95 PolarHBondContact O-N 3.33Å; G93-G96 PolarHBondContact O-N 2.87Å; G93-G96 VanDerWaalsContact O-N 3.12Å; G93-V97 PolarHBondContact O-N 2.88Å |
| 94 | E | 67.9 | Low | 74.4 | Confident | 97 Ų | 97 | 80 Ų | 80 | 45% | 0.453 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -54.6 | -45 | 179.4 | -77 | -174.6 | -166.4 | 0 | 0 | 112.8 | T73 Y89 G96 V97 R98 | T73-E94 HydrophobicContact CG2-CG 3.98Å; T73-E94 VanDerWaalsContact CG2-OE1 3.28Å; T73-E94 WeakPolarHBondContact CG2-OE1 3.41Å; Y89-E94 HydrophobicContact CD2-CG 4.01Å; Y89-E94 HydrophobicContact CE2-CB 4.33Å; Y89-E94 HydrophobicContact CE2-CG 3.23Å; Y89-E94 PolarHBondContact OH-OE1 3.14Å; E94-G96 VanDerWaalsContact C-N 3.33Å; E94-G96 PolarHBondContact O-N 2.84Å; E94-V97 PolarHBondContact O-N 3.46Å; E94-R98 PolarHBondContact O-N 3.49Å; E94-R98 VanDerWaalsContact O-N 3.15Å |
| 95 | E | 69.2 | Low | 73.3 | Confident | 141 Ų | 141 | 80.6 Ų | 80.6 | 66% | 0.659 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.9 | -37.4 | 178 | -71.1 | -71.4 | 161.3 | 0 | 0 | 111.7 | G93 R98 F99 | G93-E95 VanDerWaalsContact C-N 3.32Å; G93-E95 PolarHBondContact O-N 3.33Å; E95-R98 PolarHBondContact O-N 2.78Å; E95-F99 WeakPolarHBondContact O-CB 3.18Å; E95-F99 PolarHBondContact O-N 3.42Å |
| 96 | G | 75.5 | Confident | 71.9 | Confident | 15 Ų | 15 | 85 Ų | 85 | 16% | 0.155 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F92 G93 E94 Y100 | F92-G96 PolarHBondContact O-N 3.44Å; G93-G96 PolarHBondContact O-N 2.87Å; G93-G96 VanDerWaalsContact O-N 3.12Å; E94-G96 VanDerWaalsContact C-N 3.33Å; E94-G96 PolarHBondContact O-N 2.84Å; G96-Y100 VanDerWaalsContact O-CB 3.24Å; G96-Y100 WeakPolarHBondContact O-CB 3.48Å; G96-Y100 PolarHBondContact O-N 3.19Å |
| 97 | V | 74.7 | Confident | 70.3 | Confident | 6 Ų | 6 | 92.1 Ų | 92.1 | 4% | 0.036 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63 | -49.8 | 174.1 | -179.7 | 0 | 0 | 0 | 0 | 110 | I77 G85 L88 Y89 G93 E94 Y100 F101 | I77-V97 HydrophobicContact CD1-CG1 4.39Å; I77-V97 HydrophobicContact CD1-CG2 4.43Å; I77-V97 HydrophobicContact CG2-CG1 4.1Å; G85-V97 WeakPolarHBondContact O-CG2 3.04Å; L88-V97 HydrophobicContact CB-CG2 3.84Å; Y89-V97 HydrophobicContact CD2-CG2 4.39Å; Y89-V97 VanDerWaalsContact N-CG2 3.28Å; G93-V97 PolarHBondContact O-N 2.88Å; E94-V97 PolarHBondContact O-N 3.46Å; V97-Y100 PolarHBondContact O-N 3.4Å; V97-F101 HydrophobicContact CG1-CD2 3.81Å; V97-F101 HydrophobicContact CG1-CE2 3.79Å; V97-F101 WeakPolarHBondContact O-CD2 3.2Å; V97-F101 PolarHBondContact O-N 2.9Å; V97-F101 VanDerWaalsContact O-N 3.1Å |
| 98 | R | 71.6 | Confident | 68.7 | Low | 162 Ų | 162 | 93.8 Ų | 93.8 | 61% | 0.611 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.3 | -48 | 179.2 | -177.3 | -179.7 | 176.4 | -97.3 | -3.2 | 111.1 | E94 E95 F101 I102 | E94-R98 PolarHBondContact O-N 3.49Å; E94-R98 VanDerWaalsContact O-N 3.15Å; E95-R98 PolarHBondContact O-N 2.78Å; R98-F101 PolarHBondContact O-N 2.98Å; R98-I102 HydrophobicContact CG-CD1 3.67Å; R98-I102 HydrophobicContact CG-CG1 4.46Å; R98-I102 WeakPolarHBondContact O-CB 3.4Å; R98-I102 WeakPolarHBondContact O-CG1 2.87Å; R98-I102 PolarHBondContact O-N 3.48Å |
| 99 | F | 72 | Confident | 67.1 | Low | 126 Ų | 126 | 103 Ų | 103 | 55% | 0.553 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.3 | -54.5 | 177.8 | -176.2 | -105.3 | 0 | 0 | 0 | 110.2 | E95 F101 I102 V103 | E95-F99 WeakPolarHBondContact O-CB 3.18Å; E95-F99 PolarHBondContact O-N 3.42Å; F99-F101 VanDerWaalsContact C-N 3.31Å; F99-F101 PolarHBondContact O-N 3.03Å; F99-I102 CarbonylContact O-C 3.53Å; F99-I102 WeakPolarHBondContact O-CA 3.49Å; F99-I102 WeakPolarHBondContact O-CB 3.41Å; F99-I102 PolarHBondContact O-N 3.1Å; F99-V103 HydrophobicContact CD1-CG2 3.54Å; F99-V103 HydrophobicContact CD2-CG2 4.28Å; F99-V103 HydrophobicContact CE1-CG1 4.38Å; F99-V103 HydrophobicContact CE1-CG2 3.47Å; F99-V103 VanDerWaalsContact CE1-CG2 3.47Å; F99-V103 HydrophobicContact CE2-CG1 4.46Å; F99-V103 HydrophobicContact CE2-CG2 4.21Å; F99-V103 HydrophobicContact CG-CG2 3.97Å; F99-V103 HydrophobicContact CZ-CG1 4.03Å; F99-V103 HydrophobicContact CZ-CG2 3.82Å; F99-V103 WeakPolarHBondContact O-CG2 3.23Å; F99-V103 PolarHBondContact O-N 2.62Å |
| 100 | Y | 70.3 | Confident | 65.7 | Low | 97 Ų | 97 | 107.1 Ų | 107.1 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -51.6 | -47.2 | -180 | 178.7 | -100.3 | 0 | 0 | 0 | 113.1 | L84 L88 G96 V97 N104 | L84-Y100 HydrophobicContact CD2-CE1 4.48Å; L88-Y100 HydrophobicContact CD2-CD1 3.32Å; L88-Y100 HydrophobicContact CD2-CD2 3.62Å; L88-Y100 HydrophobicContact CD2-CE1 3.99Å; L88-Y100 HydrophobicContact CD2-CE2 4.24Å; L88-Y100 HydrophobicContact CD2-CG 3.09Å; G96-Y100 VanDerWaalsContact O-CB 3.24Å; G96-Y100 WeakPolarHBondContact O-CB 3.48Å; G96-Y100 PolarHBondContact O-N 3.19Å; V97-Y100 PolarHBondContact O-N 3.4Å; Y100-N104 WeakPolarHBondContact O-CB 3.15Å; Y100-N104 PolarHBondContact O-N 2.8Å |
| 101 | F | 69.1 | Low | 64.3 | Low | 46 Ų | 46 | 106.9 Ų | 106.9 | 20% | 0.202 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -70.4 | -30.1 | 177.3 | -73.9 | -67.8 | 0 | 0 | 0 | 112.9 | H81 V97 R98 F99 S105 | H81-F101 HydrophobicContact CB-CE2 3.88Å; H81-F101 HydrophobicContact CB-CZ 3.74Å; H81-F101 AromaticContact CD2-CE2 3.68Å; H81-F101 AromaticContact CE1-CD1 3.69Å; H81-F101 AromaticContact CE1-CD2 3.41Å; H81-F101 VanDerWaalsContact CE1-CD2 3.41Å; H81-F101 WeakPolarHBondContact CE1-CD2 3.31Å; H81-F101 AromaticContact CE1-CE1 3.73Å; H81-F101 AromaticContact CE1-CE2 3.48Å; H81-F101 VanDerWaalsContact CE1-CE2 3.48Å; H81-F101 WeakPolarHBondContact CE1-CE2 3.4Å; H81-F101 AromaticContact CE1-CG 3.56Å; H81-F101 AromaticContact CE1-CZ 3.65Å; H81-F101 AromaticContact CG-CE2 3.34Å; H81-F101 AromaticContact CG-CZ 3.43Å; H81-F101 VanDerWaalsContact CG-CZ 3.43Å; H81-F101 AromaticContact ND1-CD1 3.77Å; H81-F101 AromaticContact ND1-CD2 3.69Å; H81-F101 AromaticContact ND1-CE1 3.31Å; H81-F101 VanDerWaalsContact ND1-CE1 3.31Å; H81-F101 WeakPolarHBondContact ND1-CE1 3.24Å; H81-F101 AromaticContact ND1-CE2 3.23Å; H81-F101 WeakPolarHBondContact ND1-CE2 3.16Å; H81-F101 AromaticContact ND1-CG 3.98Å; H81-F101 AromaticContact ND1-CZ 3.04Å; H81-F101 WeakPolarHBondContact ND1-CZ 3.19Å; H81-F101 AromaticContact NE2-CD2 3.67Å; H81-F101 AromaticContact NE2-CE2 3.79Å; V97-F101 HydrophobicContact CG1-CD2 3.81Å; V97-F101 HydrophobicContact CG1-CE2 3.79Å; V97-F101 WeakPolarHBondContact O-CD2 3.2Å; V97-F101 PolarHBondContact O-N 2.9Å; V97-F101 VanDerWaalsContact O-N 3.1Å; R98-F101 PolarHBondContact O-N 2.98Å; F99-F101 VanDerWaalsContact C-N 3.31Å; F99-F101 PolarHBondContact O-N 3.03Å; F101-S105 WeakPolarHBondContact O-CB 3.16Å; F101-S105 PolarHBondContact O-N 3.23Å; F101-S105 PolarHBondContact O-OG 3.37Å |
| 102 | I | 68.8 | Low | 63 | Low | 79 Ų | 79 | 105.4 Ų | 105.4 | 41% | 0.405 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.7 | -47.6 | 174.5 | -71 | 172.6 | 0 | 0 | 0 | 111.8 | R98 F99 N104 S105 C106 | R98-I102 HydrophobicContact CG-CD1 3.67Å; R98-I102 HydrophobicContact CG-CG1 4.46Å; R98-I102 WeakPolarHBondContact O-CB 3.4Å; R98-I102 WeakPolarHBondContact O-CG1 2.87Å; R98-I102 PolarHBondContact O-N 3.48Å; F99-I102 CarbonylContact O-C 3.53Å; F99-I102 WeakPolarHBondContact O-CA 3.49Å; F99-I102 WeakPolarHBondContact O-CB 3.41Å; F99-I102 PolarHBondContact O-N 3.1Å; I102-N104 VanDerWaalsContact C-N 3.25Å; I102-N104 PolarHBondContact O-N 3.11Å; I102-S105 PolarHBondContact O-N 3.02Å; I102-C106 PolarHBondContact O-N 2.99Å; I102-C106 VanDerWaalsContact O-N 3.11Å |
| 103 | V | 64.6 | Low | 61.7 | Low | 46 Ų | 46 | 107.7 Ų | 107.7 | 28% | 0.279 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -34.3 | 176.2 | -114.4 | 0 | 0 | 0 | 0 | 111.2 | F99 S105 W107 | F99-V103 HydrophobicContact CD1-CG2 3.54Å; F99-V103 HydrophobicContact CD2-CG2 4.28Å; F99-V103 HydrophobicContact CE1-CG1 4.38Å; F99-V103 HydrophobicContact CE1-CG2 3.47Å; F99-V103 VanDerWaalsContact CE1-CG2 3.47Å; F99-V103 HydrophobicContact CE2-CG1 4.46Å; F99-V103 HydrophobicContact CE2-CG2 4.21Å; F99-V103 HydrophobicContact CG-CG2 3.97Å; F99-V103 HydrophobicContact CZ-CG1 4.03Å; F99-V103 HydrophobicContact CZ-CG2 3.82Å; F99-V103 WeakPolarHBondContact O-CG2 3.23Å; F99-V103 PolarHBondContact O-N 2.62Å; V103-S105 VanDerWaalsContact C-N 3.31Å; V103-W107 HydrophobicContact CG1-CB 4.47Å; V103-W107 HydrophobicContact CG1-CE3 3.72Å; V103-W107 HydrophobicContact CG1-CZ3 4.4Å |
| 104 | N | 61.5 | Low | 60.3 | Low | 120 Ų | 120 | 114.8 Ų | 114.8 | 64% | 0.642 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -75.1 | -17.1 | 173.9 | -164.4 | 49.9 | 0 | 0 | 0 | 113.7 | Y100 I102 | Y100-N104 WeakPolarHBondContact O-CB 3.15Å; Y100-N104 PolarHBondContact O-N 2.8Å; I102-N104 VanDerWaalsContact C-N 3.25Å; I102-N104 PolarHBondContact O-N 3.11Å |
| 105 | S | 57.3 | Low | 59.4 | Low | 95 Ų | 95 | 118.6 Ų | 118.6 | 66% | 0.664 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -99.4 | -18.2 | -177.8 | -62 | 0 | 0 | 0 | 0 | 114.8 | F101 I102 V103 | F101-S105 WeakPolarHBondContact O-CB 3.16Å; F101-S105 PolarHBondContact O-N 3.23Å; F101-S105 PolarHBondContact O-OG 3.37Å; I102-S105 PolarHBondContact O-N 3.02Å; V103-S105 VanDerWaalsContact C-N 3.31Å |
| 106 | C | 51.2 | Low | 58.3 | Low | 94 Ų | 94 | 116.5 Ų | 116.5 | 64% | 0.635 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -144.7 | -5 | -169.7 | -149.6 | 0 | 0 | 0 | 0 | 119.1 | I102 | I102-C106 PolarHBondContact O-N 2.99Å; I102-C106 VanDerWaalsContact O-N 3.11Å |
| 107 | W | 49.4 | Very low | 56.8 | Low | 179 Ų | 179 | 121.3 Ų | 121.3 | 68% | 0.678 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -120.7 | 8.3 | -169.6 | -95.6 | 1.7 | 0 | 0 | 0 | 117.6 | V103 | V103-W107 HydrophobicContact CG1-CB 4.47Å; V103-W107 HydrophobicContact CG1-CE3 3.72Å; V103-W107 HydrophobicContact CG1-CZ3 4.4Å |
| 108 | F | 48.4 | Very low | 55.7 | Low | 189 Ų | 189 | 126.6 Ų | 126.6 | 83% | 0.829 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -129.2 | 9.2 | -178.4 | -125.3 | -91.9 | 0 | 0 | 0 | 115.9 | ||
| 109 | K | 47.1 | Very low | 54.7 | Low | 205 Ų | 205 | 126.9 Ų | 126.9 | 89% | 0.891 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -105.3 | -9.8 | 167.5 | -91.6 | -171.9 | 175.6 | -177.8 | 0 | 114.7 | ||
| 110 | V | 51.6 | Low | 53.8 | Low | 124 Ų | 124 | 125.5 Ų | 125.5 | 75% | 0.752 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -100.8 | -10.1 | -178 | 175.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 111 | L | 51.4 | Low | 53.2 | Low | 139 Ų | 139 | 126.8 Ų | 126.8 | 73% | 0.728 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -105.1 | 7.4 | -179.9 | -66.8 | 175.3 | 0 | 0 | 0 | 114.7 | ||
| 112 | A | 49.8 | Very low | 52.2 | Low | 88 Ų | 88 | 131.6 Ų | 131.6 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -99.9 | 28.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 113 | Q | 49 | Very low | 51.2 | Low | 186 Ų | 186 | 136.3 Ų | 136.3 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | trans | -132.2 | 36.6 | 173.1 | -97.5 | -167.1 | -29.1 | 0 | 0 | 112.2 | E115 | Q113-E115 PolarHBondContact O-N 3.43Š| ||
| 114 | Q | 46.3 | Very low | 50.5 | Low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -85.3 | 102.9 | 158.5 | -81.2 | -80 | 6.2 | 0 | 0 | 106.9 | S116 | Q114-S116 PolarHBondContact O-N 3.43Š| ||
| 115 | E | 48.1 | Very low | 49.9 | Very low | 178 Ų | 178 | 141 Ų | 141 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -48 | 130.5 | 171.7 | -73.7 | 171.5 | 141.7 | 0 | 0 | 110.3 | Q113 P117 | Q113-E115 PolarHBondContact O-N 3.43Å; E115-P117 WeakPolarHBondContact O-CD 3.44Å | ||
| 116 | S | 47 | Very low | 49.7 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | -57.1 | 123.5 | 165.4 | -27.5 | 0 | 0 | 0 | 0 | 108.5 | Q114 T118 | Q114-S116 PolarHBondContact O-N 3.43Å; S116-T118 PolarHBondContact O-N 2.92Å | ||
| 117 | P | 44.8 | Very low | 49.3 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -77.1 | 85.9 | 166.3 | 31.5 | -28.6 | 0 | 0 | 0 | 106.8 | E115 L119 | E115-P117 WeakPolarHBondContact O-CD 3.44Å; P117-L119 PolarHBondContact O-N 2.99Å | ||
| 118 | T | 51.5 | Low | 49.2 | Very low | 116 Ų | 116 | 152.1 Ų | 152.1 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -73.2 | 83.7 | 163.4 | 54.1 | 0 | 0 | 0 | 0 | 107.6 | S116 S120 | S116-T118 PolarHBondContact O-N 2.92Å; T118-S120 PolarHBondContact O-N 2.95Å | ||
| 119 | L | 49.9 | Very low | 49.1 | Very low | 168 Ų | 168 | 151.9 Ų | 151.9 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -60.3 | 102.5 | 164.8 | -89 | 159.6 | 0 | 0 | 0 | 108.4 | P117 | P117-L119 PolarHBondContact O-N 2.99Š| ||
| 120 | S | 53.8 | Low | 48.8 | Very low | 98 Ų | 98 | 147.6 Ų | 147.6 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | -119.4 | 118.5 | 164.2 | -48.7 | 0 | 0 | 0 | 0 | 107.5 | T118 L122 | T118-S120 PolarHBondContact O-N 2.95Å; S120-L122 PolarHBondContact O-N 3.35Å | ||
| 121 | P | 56 | Low | 48.4 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -84.6 | 104 | -170.6 | 30.2 | -32.2 | 0 | 0 | 0 | 110.9 | ||||
| 122 | L | 49.4 | Very low | 48.2 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -161.5 | 53.5 | 167.1 | -102 | 172 | 0 | 0 | 0 | 111 | S120 T124 | S120-L122 PolarHBondContact O-N 3.35Å; L122-T124 VanDerWaalsContact CD2-OG1 3.23Å; L122-T124 WeakPolarHBondContact CD2-OG1 3.23Å; L122-T124 PolarHBondContact O-N 3.04Å | ||
| 123 | D | 47.8 | Very low | 48.4 | Very low | 178 Ų | 178 | 147 Ų | 147 | 95% | 0.952 | 80% | 0.798 | S | S | * | * | trans | -76.8 | 71.7 | 156.8 | -83.4 | -42.4 | 0 | 0 | 0 | 108.6 | ||||
| 124 | T | 50.2 | Low | 48.3 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 58% | 0.583 | 79% | 0.79 | S | S | * | * | trans | -133.7 | 120 | 165.1 | 21.8 | 0 | 0 | 0 | 0 | 109.5 | L122 | L122-T124 VanDerWaalsContact CD2-OG1 3.23Å; L122-T124 WeakPolarHBondContact CD2-OG1 3.23Å; L122-T124 PolarHBondContact O-N 3.04Å | ||
| 125 | L | 48.7 | Very low | 48.5 | Very low | 168 Ų | 168 | 141 Ų | 141 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | 76.7 | 87.9 | 151 | -53.4 | 174.1 | 0 | 0 | 0 | 117.7 | ||||
| 126 | K | 51.8 | Low | 48.5 | Very low | 207 Ų | 207 | 138.5 Ų | 138.5 | 90% | 0.9 | 78% | 0.782 | S | S | * | * | -171 | 93.9 | 122.2 | -149.9 | 142.6 | -176.5 | 169.3 | 0 | 112.8 | |||||
| 127 | K | 42.5 | Very low | 49 | Very low | 219 Ų | 219 | 140.8 Ų | 140.8 | 95% | 0.952 | 79% | 0.792 | S | S | * | * | trans | -158.2 | 66 | 147.1 | -132.2 | 175.5 | -175.3 | 176.9 | 0 | 110.2 | ||||
| 128 | E | 48.1 | Very low | 49.6 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -102 | 146.4 | 157.6 | -150.3 | 178.8 | -170.4 | 0 | 0 | 108 | ||||
| 129 | E | 46.2 | Very low | 49.9 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | 73 | 108.8 | 169.7 | -58.4 | -164.7 | 139 | 0 | 0 | 119.4 | ||||
| 130 | S | 40.5 | Very low | 49.8 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | 161.3 | 121.7 | 103.3 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 131 | S | 43.3 | Very low | 49.6 | Very low | 102 Ų | 102 | 150.3 Ų | 150.3 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -53.9 | 163.5 | 169.6 | 70.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 132 | P | 48.1 | Very low | 49.3 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | -154.1 | 177.4 | 82.5 | 33.4 | -9.7 | 0 | 0 | 0 | 116.4 | |||||
| 133 | V | 53.4 | Low | 49.3 | Very low | 124 Ų | 124 | 152 Ų | 152 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | trans | 98.1 | 88.4 | 150.8 | -156.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 134 | S | 47.6 | Very low | 49.4 | Very low | 100 Ų | 100 | 150.4 Ų | 150.4 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | -17.4 | 129.8 | 138 | -175 | 0 | 0 | 0 | 0 | 116 | ||||
| 135 | T | 50.6 | Low | 49.3 | Very low | 135 Ų | 135 | 154.1 Ų | 154.1 | 83% | 0.828 | 83% | 0.831 | S | S | * | * | trans | -140.7 | 115.7 | 143.4 | -44.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 136 | L | 47.2 | Very low | 49.4 | Very low | 126 Ų | 126 | 153.1 Ų | 153.1 | 66% | 0.66 | 83% | 0.827 | S | S | * | * | trans | -38.7 | 135 | 168.8 | -77.1 | 149.4 | 0 | 0 | 0 | 114.7 | ||||
| 137 | T | 58.7 | Low | 49.2 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | -135.5 | 96.1 | 144.4 | -63.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 138 | Q | 55.9 | Low | 49.7 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 73% | 0.729 | 81% | 0.811 | S | S | * | * | trans | -88.1 | 129.9 | 158.2 | -85.7 | 166.5 | -62.2 | 0 | 0 | 107.3 | ||||
| 139 | I | 57.4 | Low | 49.9 | Very low | 241 Ų | 241 | 140 Ų | 140 | 100% | 1.236 | 81% | 0.809 | S | S | * | * | -180 | 0 | 115.5 | -80 | 153.2 | 0 | 0 | 0 | 106.5 |
Retrieved 139 of 139 residues in 599.7 ms
(Link to these results)