| 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 | 46.8 | Very low | 47.3 | Very low | 227 Ų | 227 | 139.8 Ų | 139.8 | 100% | 1.118 | 69% | 0.688 | S | S | * | * | 0 | -23.1 | 0 | -135.9 | -175.6 | -75.7 | 0 | 0 | 112.8 | |||||
| 2 | M | 41.9 | Very low | 47.1 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 80% | 0.803 | 68% | 0.68 | S | S | * | * | trans | -81.7 | -25.8 | 178.2 | -139.1 | 175.1 | -94.4 | 0 | 0 | 114.2 | A5 M6 | M2-A5 PolarHBondContact O-N 3.49Å; M2-M6 PolarHBondContact O-N 3.46Å | ||
| 3 | E | 45.8 | Very low | 46.9 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.1 | -34.8 | 176.3 | -85.6 | 175 | 142.2 | 0 | 0 | 114 | A5 M6 E7 | E3-A5 VanDerWaalsContact C-N 3.27Å; E3-A5 PolarHBondContact O-N 3.01Å; E3-M6 PolarHBondContact O-N 3.36Å; E3-E7 PolarHBondContact O-N 3.19Å |
| 4 | R | 47.6 | Very low | 46.7 | Very low | 208 Ų | 208 | 130.3 Ų | 130.3 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.5 | -22 | 175.8 | -90.4 | -175.8 | 175.2 | 176.5 | -1.2 | 113.6 | Q8 | R4-Q8 PolarHBondContact O-N 3.19Å |
| 5 | A | 43.4 | Very low | 46.6 | Very low | 56 Ų | 56 | 134.1 Ų | 134.1 | 46% | 0.463 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -80.5 | -34.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | M2 E3 L9 | M2-A5 PolarHBondContact O-N 3.49Å; E3-A5 VanDerWaalsContact C-N 3.27Å; E3-A5 PolarHBondContact O-N 3.01Å; A5-L9 PolarHBondContact O-N 3.42Å |
| 6 | M | 43.5 | Very low | 46.2 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 70% | 0.695 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.2 | -31.9 | 175.2 | -90.3 | 166.3 | 158 | 0 | 0 | 113 | M2 E3 L9 N10 | M2-M6 PolarHBondContact O-N 3.46Å; E3-M6 PolarHBondContact O-N 3.36Å; M6-L9 PolarHBondContact O-N 3.3Å; M6-N10 PolarHBondContact O-N 3.47Å |
| 7 | E | 52.1 | Low | 45.9 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 65% | 0.645 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.9 | -37.9 | 172.1 | -114.1 | 175.3 | 169 | 0 | 0 | 112.4 | E3 V11 | E3-E7 PolarHBondContact O-N 3.19Å; E7-V11 WeakPolarHBondContact O-CB 3.34Å; E7-V11 VanDerWaalsContact O-CG2 3.24Å; E7-V11 WeakPolarHBondContact O-CG2 3.41Å; E7-V11 PolarHBondContact O-N 3.4Å |
| 8 | Q | 48.3 | Very low | 45.6 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 67% | 0.668 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.8 | -35.3 | 175 | -79.6 | -174.4 | -17.6 | 0 | 0 | 113 | R4 V11 Q12 | R4-Q8 PolarHBondContact O-N 3.19Å; Q8-V11 PolarHBondContact O-N 3.44Å; Q8-Q12 PolarHBondContact O-N 2.83Å |
| 9 | L | 47 | Very low | 45.2 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 54% | 0.539 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.2 | -38.7 | 176.1 | -137.1 | 94.1 | 0 | 0 | 0 | 111.7 | A5 M6 Q12 L13 | A5-L9 PolarHBondContact O-N 3.42Å; M6-L9 PolarHBondContact O-N 3.3Å; L9-Q12 PolarHBondContact O-N 3.39Å; L9-L13 HydrophobicContact CD2-CD1 4.3Å; L9-L13 WeakPolarHBondContact O-CB 3.24Å; L9-L13 PolarHBondContact O-N 2.96Å |
| 10 | N | 48.5 | Very low | 45 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 61% | 0.61 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.7 | -29.9 | 175.1 | -92.7 | -16.6 | 0 | 0 | 0 | 113 | M6 S14 | M6-N10 PolarHBondContact O-N 3.47Å; N10-S14 WeakPolarHBondContact O-CB 3.49Å; N10-S14 PolarHBondContact O-N 3.08Å; N10-S14 PolarHBondContact O-OG 3.23Å |
| 11 | V | 55.5 | Low | 44.6 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 45% | 0.448 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -71.8 | -32.9 | 170.3 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | E7 Q8 S14 R15 | E7-V11 WeakPolarHBondContact O-CB 3.34Å; E7-V11 VanDerWaalsContact O-CG2 3.24Å; E7-V11 WeakPolarHBondContact O-CG2 3.41Å; E7-V11 PolarHBondContact O-N 3.4Å; Q8-V11 PolarHBondContact O-N 3.44Å; V11-S14 WeakPolarHBondContact CA-OG 3.28Å; V11-S14 PolarHBondContact O-OG 2.71Å; V11-R15 WeakPolarHBondContact O-CB 3.4Å; V11-R15 VanDerWaalsContact O-CG 3.28Å; V11-R15 WeakPolarHBondContact O-CG 3.36Å; V11-R15 PolarHBondContact O-N 2.93Å; V11-R15 VanDerWaalsContact O-N 3.08Å |
| 12 | Q | 45.4 | Very low | 44.1 | Very low | 125 Ų | 125 | 133 Ų | 133 | 58% | 0.584 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.7 | -43.1 | 173.1 | -83.9 | -176.4 | -28.6 | 0 | 0 | 112.9 | Q8 L9 R15 L16 | Q8-Q12 PolarHBondContact O-N 2.83Å; L9-Q12 PolarHBondContact O-N 3.39Å; Q12-R15 PolarHBondContact O-N 3.46Å; Q12-L16 PolarHBondContact O-N 3.28Å |
| 13 | L | 44 | Very low | 44.1 | Very low | 94 Ų | 94 | 130 Ų | 130 | 49% | 0.492 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64.8 | -43.8 | 175.2 | -94.9 | 146.7 | 0 | 0 | 0 | 111.3 | L9 R15 L16 T17 | L9-L13 HydrophobicContact CD2-CD1 4.3Å; L9-L13 WeakPolarHBondContact O-CB 3.24Å; L9-L13 PolarHBondContact O-N 2.96Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 2.89Å; L13-L16 PolarHBondContact O-N 2.83Å; L13-L16 VanDerWaalsContact O-N 3.14Å; L13-T17 PolarHBondContact O-N 3.14Å; L13-T17 PolarHBondContact O-OG1 3.02Å |
| 14 | S | 43.7 | Very low | 44 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 47% | 0.469 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.1 | -28.1 | 174.8 | 60.5 | 0 | 0 | 0 | 0 | 113.5 | N10 V11 R18 | N10-S14 WeakPolarHBondContact O-CB 3.49Å; N10-S14 PolarHBondContact O-N 3.08Å; N10-S14 PolarHBondContact O-OG 3.23Å; V11-S14 WeakPolarHBondContact CA-OG 3.28Å; V11-S14 PolarHBondContact O-OG 2.71Å; S14-R18 WeakPolarHBondContact O-CB 3.22Å; S14-R18 PolarHBondContact O-N 3.03Å |
| 15 | R | 45.3 | Very low | 44 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.9 | -39.4 | 168.5 | -83.2 | 178.4 | 175.6 | -176.8 | -0.6 | 112.4 | V11 Q12 L13 R18 S19 | V11-R15 WeakPolarHBondContact O-CB 3.4Å; V11-R15 VanDerWaalsContact O-CG 3.28Å; V11-R15 WeakPolarHBondContact O-CG 3.36Å; V11-R15 PolarHBondContact O-N 2.93Å; V11-R15 VanDerWaalsContact O-N 3.08Å; Q12-R15 PolarHBondContact O-N 3.46Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 2.89Å; R15-R18 PolarHBondContact O-N 3.24Å; R15-S19 WeakPolarHBondContact O-CB 3.05Å; R15-S19 PolarHBondContact O-N 2.91Å |
| 16 | L | 39.8 | Very low | 44.5 | Very low | 115 Ų | 115 | 129 Ų | 129 | 60% | 0.602 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.5 | -42.6 | 177.4 | -123.4 | 122.4 | 0 | 0 | 0 | 111.8 | Q12 L13 R18 S19 L20 | Q12-L16 PolarHBondContact O-N 3.28Å; L13-L16 PolarHBondContact O-N 2.83Å; L13-L16 VanDerWaalsContact O-N 3.14Å; L16-R18 VanDerWaalsContact C-N 3.33Å; L16-R18 PolarHBondContact O-N 3.05Å; L16-S19 WeakPolarHBondContact O-CB 3.5Å; L16-S19 PolarHBondContact O-N 3.48Å; L16-L20 HydrophobicContact CD2-CD1 4.47Å; L16-L20 PolarHBondContact O-N 3.47Å |
| 17 | T | 41.5 | Very low | 45.4 | Very low | 73 Ų | 73 | 130 Ų | 130 | 45% | 0.448 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.9 | -27.7 | 175.9 | -37.3 | 0 | 0 | 0 | 0 | 112.3 | L13 R21 | L13-T17 PolarHBondContact O-N 3.14Å; L13-T17 PolarHBondContact O-OG1 3.02Å; T17-R21 PolarHBondContact O-N 2.81Å |
| 18 | R | 39.9 | Very low | 46.4 | Very low | 186 Ų | 186 | 124.3 Ų | 124.3 | 70% | 0.702 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -78.9 | -25.9 | 171.9 | -167.9 | 177.4 | -102.3 | 174.6 | -5.8 | 112.5 | S14 R15 L16 | S14-R18 WeakPolarHBondContact O-CB 3.22Å; S14-R18 PolarHBondContact O-N 3.03Å; R15-R18 PolarHBondContact O-N 3.24Å; L16-R18 VanDerWaalsContact C-N 3.33Å; L16-R18 PolarHBondContact O-N 3.05Å |
| 19 | S | 38.1 | Very low | 47.6 | Very low | 89 Ų | 89 | 119.7 Ų | 119.7 | 62% | 0.622 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.6 | -27.7 | 171.1 | -170.6 | 0 | 0 | 0 | 0 | 113 | R15 L16 | R15-S19 WeakPolarHBondContact O-CB 3.05Å; R15-S19 PolarHBondContact O-N 2.91Å; L16-S19 WeakPolarHBondContact O-CB 3.5Å; L16-S19 PolarHBondContact O-N 3.48Å |
| 20 | L | 41.8 | Very low | 49 | Very low | 142 Ų | 142 | 124 Ų | 124 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -88.9 | -3.7 | 177.7 | -76.2 | 162 | 0 | 0 | 0 | 114.1 | L16 | L16-L20 HydrophobicContact CD2-CD1 4.47Å; L16-L20 PolarHBondContact O-N 3.47Å |
| 21 | R | 36.6 | Very low | 50.7 | Low | 213 Ų | 213 | 122.1 Ų | 122.1 | 80% | 0.804 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -117.5 | 3.6 | 179.3 | -81.1 | -169.7 | -171.6 | -174.8 | 4.1 | 115.3 | T17 | T17-R21 PolarHBondContact O-N 2.81Š|
| 22 | R | 36.7 | Very low | 52.1 | Low | 192 Ų | 192 | 120.5 Ų | 120.5 | 73% | 0.725 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -116.3 | 109.7 | 168.4 | -77 | -175.1 | 173.5 | -175.9 | -3.6 | 107.7 | R24 | R22-R24 VanDerWaalsContact C-N 3.3Å; R22-R24 PolarHBondContact O-N 2.86Å |
| 23 | A | 42.6 | Very low | 53.9 | Low | 99 Ų | 99 | 119.5 Ų | 119.5 | 82% | 0.818 | 59% | 0.586 | S | S | * | * | trans | -41.8 | 101.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | T25 | A23-T25 VanDerWaalsContact C-N 3.34Å; A23-T25 PolarHBondContact O-N 2.83Å | ||
| 24 | R | 42.6 | Very low | 55.7 | Low | 219 Ų | 219 | 118.6 Ų | 118.6 | 83% | 0.826 | 58% | 0.584 | S | S | * | * | trans | -64.4 | 113.6 | 148.4 | -87.2 | -177.1 | 172.4 | 179.1 | -3.3 | 102.7 | R22 V26 | R22-R24 VanDerWaalsContact C-N 3.3Å; R22-R24 PolarHBondContact O-N 2.86Å; R24-V26 PolarHBondContact O-N 2.77Å | ||
| 25 | T | 47.6 | Very low | 57.7 | Low | 116 Ų | 116 | 115.4 Ų | 115.4 | 71% | 0.712 | 56% | 0.562 | S | S | * | * | trans | -47.5 | 95 | 148.6 | 41.2 | 0 | 0 | 0 | 0 | 104.8 | A23 E27 | A23-T25 VanDerWaalsContact C-N 3.34Å; A23-T25 PolarHBondContact O-N 2.83Å; T25-E27 PolarHBondContact O-N 3.21Å | ||
| 26 | V | 55 | Low | 59.6 | Low | 78 Ų | 78 | 106.5 Ų | 106.5 | 47% | 0.473 | 53% | 0.528 | S | S | . | . | trans | -66.4 | 95.6 | 169.8 | 173.3 | 0 | 0 | 0 | 0 | 101.8 | R24 L28 T38 L54 | R24-V26 PolarHBondContact O-N 2.77Å; V26-L28 PolarHBondContact O-N 3.33Å; V26-T38 HydrophobicContact CG1-CG2 4.48Å; V26-L54 HydrophobicContact CB-CD2 4.11Å; V26-L54 HydrophobicContact CG1-CD2 4.48Å; V26-L54 WeakPolarHBondContact O-CD2 3.47Å | ||
| 27 | E | 61.3 | Low | 61.6 | Low | 164 Ų | 164 | 106.9 Ų | 106.9 | 77% | 0.766 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 126.1 | 171.1 | -73.3 | 177.6 | 180 | 0 | 0 | 105.7 | T25 | T25-E27 PolarHBondContact O-N 3.21Š|
| 28 | L | 72.8 | Confident | 63.6 | Low | 18 Ų | 18 | 105.4 Ų | 105.4 | 9% | 0.094 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 129.7 | 176.8 | -149.9 | 85 | 0 | 0 | 0 | 107 | V26 E30 A35 L39 L54 F60 | V26-L28 PolarHBondContact O-N 3.33Å; L28-E30 PolarHBondContact O-N 3.48Å; L28-A35 HydrophobicContact CD2-CB 3.61Å; L28-A35 HydrophobicContact CG-CB 3.85Å; L28-L39 HydrophobicContact CD1-CD1 4.1Å; L28-L39 HydrophobicContact CD1-CD2 3.62Å; L28-L39 HydrophobicContact CD1-CG 3.7Å; L28-L39 HydrophobicContact CD2-CD1 3.88Å; L28-L39 HydrophobicContact CD2-CG 4.38Å; L28-L54 HydrophobicContact CD1-CB 3.86Å; L28-L54 HydrophobicContact CD1-CD1 4.15Å; L28-L54 HydrophobicContact CD1-CD2 4.49Å; L28-L54 HydrophobicContact CD1-CG 4.4Å; L28-F60 HydrophobicContact CD2-CB 3.72Å; L28-F60 HydrophobicContact CD2-CD2 4.31Å; L28-F60 HydrophobicContact CD2-CG 4.07Å |
| 29 | P | 75 | Confident | 65.8 | Low | 45 Ų | 45 | 96.6 Ų | 96.6 | 29% | 0.292 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -48.9 | 141.8 | 175.3 | -27.7 | 33.8 | 0 | 0 | 0 | 111.5 | D31 T34 | P29-D31 PolarHBondContact O-N 3.47Å; P29-T34 HydrophobicContact CB-CG2 4.08Å; P29-T34 HydrophobicContact CG-CG2 3.9Å |
| 30 | E | 75.7 | Confident | 67.9 | Low | 193 Ų | 193 | 94.2 Ų | 94.2 | 90% | 0.902 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -65.8 | -27.2 | 179.5 | -65.4 | -166.7 | 154.7 | 0 | 0 | 112.5 | L28 | L28-E30 PolarHBondContact O-N 3.48Š|
| 31 | D | 83.7 | Confident | 69.7 | Low | 76 Ų | 76 | 91.1 Ų | 91.1 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -77.4 | 124.6 | 175.2 | 167.6 | 58 | 0 | 0 | 0 | 111.4 | P29 E33 T34 A35 | P29-D31 PolarHBondContact O-N 3.47Å; D31-E33 VanDerWaalsContact C-N 3.27Å; D31-E33 PolarHBondContact O-N 3.4Å; D31-E33 PolarHBondContact OD1-N 2.95Å; D31-E33 WeakPolarHBondContact OD2-CB 2.81Å; D31-E33 PolarHBondContact OD2-N 3.44Å; D31-T34 PolarHBondContact O-N 3.23Å; D31-T34 WeakPolarHBondContact OD2-CB 3.49Å; D31-T34 PolarHBondContact OD2-N 2.98Å; D31-T34 PolarHBondContact OD2-OG1 3.42Å; D31-A35 WeakPolarHBondContact O-CB 3.45Å; D31-A35 PolarHBondContact O-N 3.4Å |
| 32 | N | 85.2 | Confident | 72 | Confident | 40 Ų | 40 | 83 Ų | 83 | 21% | 0.214 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.4 | -33.7 | -179 | -76.9 | -35.5 | 0 | 0 | 0 | 112.6 | V36 F60 D61 Y64 | N32-V36 WeakPolarHBondContact O-CB 3.42Å; N32-V36 PolarHBondContact O-N 3.32Å; N32-V36 VanDerWaalsContact O-N 3.08Å; N32-F60 HydrophobicContact CB-CD2 4.29Å; N32-F60 HydrophobicContact CB-CE2 4.22Å; N32-F60 WeakPolarHBondContact OD1-CA 3.22Å; N32-F60 WeakPolarHBondContact OD1-CD2 3.49Å; N32-D61 PolarHBondContact OD1-N 3.38Å; N32-Y64 HydrophobicContact CB-CD1 3.96Å; N32-Y64 HydrophobicContact CB-CD2 3.47Å; N32-Y64 VanDerWaalsContact CB-CD2 3.47Å; N32-Y64 HydrophobicContact CB-CE1 4.12Å; N32-Y64 HydrophobicContact CB-CE2 3.65Å; N32-Y64 HydrophobicContact CB-CG 3.64Å |
| 33 | E | 83.6 | Confident | 74.4 | Confident | 104 Ų | 104 | 73.9 Ų | 73.9 | 49% | 0.486 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.8 | -50.6 | 179.7 | -166.8 | 172.1 | -177.8 | 0 | 0 | 110.9 | D31 V36 Y37 Y64 | D31-E33 VanDerWaalsContact C-N 3.27Å; D31-E33 PolarHBondContact O-N 3.4Å; D31-E33 PolarHBondContact OD1-N 2.95Å; D31-E33 WeakPolarHBondContact OD2-CB 2.81Å; D31-E33 PolarHBondContact OD2-N 3.44Å; E33-V36 WeakPolarHBondContact O-CG1 3.19Å; E33-V36 PolarHBondContact O-N 2.85Å; E33-Y37 HydrophobicContact CG-CE2 4.18Å; E33-Y37 WeakPolarHBondContact O-CD2 3.22Å; E33-Y64 WeakPolarHBondContact CA-OH 3.39Å; E33-Y64 HydrophobicContact CB-CE1 4.37Å; E33-Y64 VanDerWaalsContact CB-OH 3.31Å; E33-Y64 WeakPolarHBondContact CB-OH 3.32Å |
| 34 | T | 81.4 | Confident | 76.3 | Confident | 74 Ų | 74 | 74 Ų | 74 | 45% | 0.454 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.6 | -37.8 | -179.5 | -48.3 | 0 | 0 | 0 | 0 | 112 | P29 D31 V36 Y37 T38 | P29-T34 HydrophobicContact CB-CG2 4.08Å; P29-T34 HydrophobicContact CG-CG2 3.9Å; D31-T34 PolarHBondContact O-N 3.23Å; D31-T34 WeakPolarHBondContact OD2-CB 3.49Å; D31-T34 PolarHBondContact OD2-N 2.98Å; D31-T34 PolarHBondContact OD2-OG1 3.42Å; T34-V36 VanDerWaalsContact C-N 3.32Å; T34-V36 PolarHBondContact O-N 3.06Å; T34-Y37 PolarHBondContact O-N 3.49Å; T34-T38 PolarHBondContact O-N 3.4Å; T34-T38 PolarHBondContact O-OG1 3.01Å |
| 35 | A | 85 | Confident | 78.2 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L28 D31 Y37 T38 L39 F60 | L28-A35 HydrophobicContact CD2-CB 3.61Å; L28-A35 HydrophobicContact CG-CB 3.85Å; D31-A35 WeakPolarHBondContact O-CB 3.45Å; D31-A35 PolarHBondContact O-N 3.4Å; A35-Y37 PolarHBondContact O-N 2.73Å; A35-T38 WeakPolarHBondContact O-CB 3.39Å; A35-T38 PolarHBondContact O-N 3.32Å; A35-T38 VanDerWaalsContact O-N 3.14Å; A35-L39 PolarHBondContact O-N 3.06Å; A35-F60 HydrophobicContact CB-CD2 3.63Å; A35-F60 HydrophobicContact CB-CE2 4.05Å |
| 36 | V | 86.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.7 | -35.1 | -176.1 | 96.8 | 0 | 0 | 0 | 0 | 112.8 | N32 E33 T34 T38 L39 M40 F60 Y64 F66 L73 | N32-V36 WeakPolarHBondContact O-CB 3.42Å; N32-V36 PolarHBondContact O-N 3.32Å; N32-V36 VanDerWaalsContact O-N 3.08Å; E33-V36 WeakPolarHBondContact O-CG1 3.19Å; E33-V36 PolarHBondContact O-N 2.85Å; T34-V36 VanDerWaalsContact C-N 3.32Å; T34-V36 PolarHBondContact O-N 3.06Å; V36-T38 PolarHBondContact O-N 2.84Å; V36-L39 PolarHBondContact O-N 2.95Å; V36-M40 VanDerWaalsContact O-CB 3.28Å; V36-M40 WeakPolarHBondContact O-CB 3.24Å; V36-M40 PolarHBondContact O-N 3.47Å; V36-F60 HydrophobicContact CB-CE2 4.06Å; V36-F60 HydrophobicContact CB-CZ 4.17Å; V36-F60 HydrophobicContact CG2-CE2 4.08Å; V36-F60 HydrophobicContact CG2-CZ 3.66Å; V36-Y64 HydrophobicContact CB-CD1 4.24Å; V36-Y64 HydrophobicContact CG1-CD1 4.45Å; V36-Y64 HydrophobicContact CG1-CE1 4.37Å; V36-Y64 HydrophobicContact CG2-CD1 4.39Å; V36-F66 HydrophobicContact CB-CD1 4Å; V36-F66 HydrophobicContact CB-CE1 4.38Å; V36-F66 HydrophobicContact CB-CG 4.31Å; V36-F66 HydrophobicContact CG1-CB 3.72Å; V36-F66 HydrophobicContact CG1-CD1 3.54Å; V36-F66 HydrophobicContact CG1-CD2 3.8Å; V36-F66 HydrophobicContact CG1-CE1 4.09Å; V36-F66 HydrophobicContact CG1-CE2 4.39Å; V36-F66 HydrophobicContact CG1-CG 3.36Å; V36-F66 HydrophobicContact CG2-CD1 3.29Å; V36-F66 HydrophobicContact CG2-CE1 3.36Å; V36-F66 HydrophobicContact CG2-CG 4.06Å; V36-F66 HydrophobicContact CG2-CZ 4.23Å; V36-L73 HydrophobicContact CG2-CD1 4.02Å; V36-L73 HydrophobicContact CG2-CD2 3.73Å; V36-L73 HydrophobicContact CG2-CG 3.63Å |
| 37 | Y | 81.5 | Confident | 81.7 | Confident | 123 Ų | 123 | 63.8 Ų | 63.8 | 48% | 0.482 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.7 | -23.5 | 174.9 | -71.9 | -68.2 | 0 | 0 | 0 | 112.6 | E33 T34 A35 P41 | E33-Y37 HydrophobicContact CG-CE2 4.18Å; E33-Y37 WeakPolarHBondContact O-CD2 3.22Å; T34-Y37 PolarHBondContact O-N 3.49Å; A35-Y37 PolarHBondContact O-N 2.73Å; Y37-P41 WeakPolarHBondContact O-CD 3.33Å |
| 38 | T | 82.7 | Confident | 82.9 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -77.3 | -40.9 | 172.2 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | V26 T34 A35 V36 M42 | V26-T38 HydrophobicContact CG1-CG2 4.48Å; T34-T38 PolarHBondContact O-N 3.4Å; T34-T38 PolarHBondContact O-OG1 3.01Å; A35-T38 WeakPolarHBondContact O-CB 3.39Å; A35-T38 PolarHBondContact O-N 3.32Å; A35-T38 VanDerWaalsContact O-N 3.14Å; V36-T38 PolarHBondContact O-N 2.84Å; T38-M42 HydrophobicContact CG2-CE 4.41Å |
| 39 | L | 85.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -77.5 | -34.5 | -178.8 | -70.4 | 176.8 | 0 | 0 | 0 | 113.5 | L28 A35 V36 M42 V43 V51 L54 L55 F60 L73 | L28-L39 HydrophobicContact CD1-CD1 4.1Å; L28-L39 HydrophobicContact CD1-CD2 3.62Å; L28-L39 HydrophobicContact CD1-CG 3.7Å; L28-L39 HydrophobicContact CD2-CD1 3.88Å; L28-L39 HydrophobicContact CD2-CG 4.38Å; A35-L39 PolarHBondContact O-N 3.06Å; V36-L39 PolarHBondContact O-N 2.95Å; L39-M42 WeakPolarHBondContact O-CB 3.46Å; L39-M42 PolarHBondContact O-N 3.22Å; L39-M42 VanDerWaalsContact O-N 3.13Å; L39-V43 WeakPolarHBondContact O-CG2 3.18Å; L39-V43 PolarHBondContact O-N 3.3Å; L39-V51 HydrophobicContact CD2-CG1 4.35Å; L39-L54 HydrophobicContact CD2-CB 4.22Å; L39-L54 HydrophobicContact CD2-CD1 3.98Å; L39-L55 HydrophobicContact CD1-CD2 3.84Å; L39-L55 HydrophobicContact CD1-CG 4.49Å; L39-F60 HydrophobicContact CD1-CD1 4.06Å; L39-F60 HydrophobicContact CD1-CE1 4.08Å; L39-F60 HydrophobicContact CD1-CG 4.37Å; L39-F60 HydrophobicContact CD1-CZ 4.44Å; L39-L73 HydrophobicContact CB-CD1 3.73Å; L39-L73 HydrophobicContact CB-CD2 4.31Å; L39-L73 HydrophobicContact CD1-CD1 3.68Å; L39-L73 HydrophobicContact CG-CD1 4.36Å |
| 40 | M | 83.3 | Confident | 83.9 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 20% | 0.197 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54 | -52.9 | -173.6 | 163.5 | -170.3 | -74.6 | 0 | 0 | 113.2 | V36 M42 V43 M44 F66 L73 I76 | V36-M40 VanDerWaalsContact O-CB 3.28Å; V36-M40 WeakPolarHBondContact O-CB 3.24Å; V36-M40 PolarHBondContact O-N 3.47Å; M40-M42 PolarHBondContact O-N 3.41Å; M40-V43 PolarHBondContact O-N 3.4Å; M40-M44 HydrophobicContact CG-CG 4.3Å; M40-M44 HydrophobicContact CG-SD 3.77Å; M40-M44 VanDerWaalsContact O-CG 3.3Å; M40-M44 WeakPolarHBondContact O-CG 3.35Å; M40-M44 PolarHBondContact O-N 3.38Å; M40-M44 HydrophobicContact SD-SD 4.32Å; M40-F66 HydrophobicContact CE-CD2 4.2Å; M40-F66 HydrophobicContact CE-CE2 3.06Å; M40-F66 HydrophobicContact CE-CZ 3.31Å; M40-L73 HydrophobicContact CB-CD2 4.19Å; M40-I76 HydrophobicContact CE-CD1 4.2Å; M40-I76 HydrophobicContact CE-CG1 4.25Å |
| 41 | P | 79.3 | Confident | 84.4 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 49% | 0.494 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -34.5 | -179.5 | -23.2 | 33.9 | 0 | 0 | 0 | 112.7 | Y37 M44 A45 | Y37-P41 WeakPolarHBondContact O-CD 3.33Å; P41-M44 PolarHBondContact O-N 3.39Å; P41-A45 WeakPolarHBondContact O-CB 3.33Å; P41-A45 PolarHBondContact O-N 3.46Å |
| 42 | M | 85.1 | Confident | 84.6 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 21% | 0.212 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.6 | -40.6 | 177.4 | -59 | -176.1 | -171.4 | 0 | 0 | 111.5 | T38 L39 M40 A45 D46 Q47 V51 L54 | T38-M42 HydrophobicContact CG2-CE 4.41Å; L39-M42 WeakPolarHBondContact O-CB 3.46Å; L39-M42 PolarHBondContact O-N 3.22Å; L39-M42 VanDerWaalsContact O-N 3.13Å; M40-M42 PolarHBondContact O-N 3.41Å; M42-A45 CarbonylContact O-C 3.57Å; M42-A45 PolarHBondContact O-N 3.42Å; M42-D46 PolarHBondContact O-N 3.45Å; M42-D46 VanDerWaalsContact O-N 3.16Å; M42-Q47 HydrophobicContact CB-CB 4.25Å; M42-Q47 PolarHBondContact O-N 3.04Å; M42-V51 HydrophobicContact CB-CG2 3.66Å; M42-L54 HydrophobicContact CE-CD1 4.01Å; M42-L54 HydrophobicContact SD-CD1 3.63Å |
| 43 | V | 87.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65 | -43.8 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | L39 M40 A45 D46 V51 L73 I76 A77 S82 C85 | L39-V43 WeakPolarHBondContact O-CG2 3.18Å; L39-V43 PolarHBondContact O-N 3.3Å; M40-V43 PolarHBondContact O-N 3.4Å; V43-A45 PolarHBondContact O-N 3.14Å; V43-D46 PolarHBondContact O-N 3.02Å; V43-D46 VanDerWaalsContact O-N 3.08Å; V43-V51 HydrophobicContact CG2-CG1 4.29Å; V43-V51 HydrophobicContact CG2-CG2 4.07Å; V43-L73 HydrophobicContact CG2-CD2 4.31Å; V43-I76 HydrophobicContact CG1-CG2 4.47Å; V43-A77 HydrophobicContact CG1-CB 3.71Å; V43-S82 WeakPolarHBondContact O-CB 3.45Å; V43-S82 PolarHBondContact O-OG 3.3Å; V43-C85 HydrophobicContact CG1-CB 4.2Å |
| 44 | M | 82.3 | Confident | 84.6 | Confident | 101 Ų | 101 | 57.3 Ų | 57.3 | 50% | 0.498 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -32.9 | 176.1 | -69 | 175.6 | 70.7 | 0 | 0 | 112.6 | M40 P41 D46 I76 | M40-M44 HydrophobicContact CG-CG 4.3Å; M40-M44 HydrophobicContact CG-SD 3.77Å; M40-M44 VanDerWaalsContact O-CG 3.3Å; M40-M44 WeakPolarHBondContact O-CG 3.35Å; M40-M44 PolarHBondContact O-N 3.38Å; M40-M44 HydrophobicContact SD-SD 4.32Å; P41-M44 PolarHBondContact O-N 3.39Å; M44-D46 VanDerWaalsContact C-N 3.34Å; M44-I76 HydrophobicContact CG-CG2 3.47Å; M44-I76 VanDerWaalsContact CG-CG2 3.47Å; M44-I76 HydrophobicContact SD-CG2 4.32Å |
| 45 | A | 82.1 | Confident | 84.7 | Confident | 60 Ų | 60 | 54 Ų | 54 | 50% | 0.496 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 7.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P41 M42 V43 Q47 | P41-A45 WeakPolarHBondContact O-CB 3.33Å; P41-A45 PolarHBondContact O-N 3.46Å; M42-A45 CarbonylContact O-C 3.57Å; M42-A45 PolarHBondContact O-N 3.42Å; V43-A45 PolarHBondContact O-N 3.14Å; A45-Q47 VanDerWaalsContact C-N 3.26Å; A45-Q47 HydrophobicContact CB-CG 4Å; A45-Q47 PolarHBondContact O-N 3.12Å |
| 46 | D | 88.3 | Confident | 84.5 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 34.5 | -177.6 | -156 | 26 | 0 | 0 | 0 | 115.3 | M42 V43 M44 H48 S82 E84 C85 | M42-D46 PolarHBondContact O-N 3.45Å; M42-D46 VanDerWaalsContact O-N 3.16Å; V43-D46 PolarHBondContact O-N 3.02Å; V43-D46 VanDerWaalsContact O-N 3.08Å; M44-D46 VanDerWaalsContact C-N 3.34Å; D46-H48 PolarHBondContact O-N 3.11Å; D46-H48 PolarHBondContact O-ND1 2.89Å; D46-S82 WeakPolarHBondContact OD1-CB 3.31Å; D46-E84 PolarHBondContact OD1-N 2.88Å; D46-C85 VanDerWaalsContact C-SG 3.57Å; D46-C85 PolarHBondContact OD1-N 3.27Å; D46-C85 PolarHBondContact OD1-SG 2.87Å |
| 47 | Q | 87.8 | Confident | 83.9 | Confident | 91 Ų | 91 | 67 Ų | 67 | 43% | 0.425 | 34% | 0.342 | S | S | . | . | trans | -79.1 | 56.4 | -179.8 | -61.9 | -178.6 | 9.4 | 0 | 0 | 112.6 | M42 A45 R49 S50 V51 | M42-Q47 HydrophobicContact CB-CB 4.25Å; M42-Q47 PolarHBondContact O-N 3.04Å; A45-Q47 VanDerWaalsContact C-N 3.26Å; A45-Q47 HydrophobicContact CB-CG 4Å; A45-Q47 PolarHBondContact O-N 3.12Å; Q47-R49 VanDerWaalsContact C-N 3.26Å; Q47-R49 PolarHBondContact O-N 2.93Å; Q47-R49 VanDerWaalsContact O-N 3.11Å; Q47-S50 PolarHBondContact O-N 3.45Å; Q47-S50 VanDerWaalsContact O-N 3.12Å; Q47-V51 WeakPolarHBondContact O-CG2 3.5Å; Q47-V51 PolarHBondContact O-N 3.09Å | ||
| 48 | H | 85.6 | Confident | 83.7 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 32% | 0.315 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.3 | -31.7 | -172.3 | 63 | -81.2 | 0 | 0 | 0 | 114.8 | D46 S52 E84 C85 | D46-H48 PolarHBondContact O-N 3.11Å; D46-H48 PolarHBondContact O-ND1 2.89Å; H48-S52 WeakPolarHBondContact O-CB 3.09Å; H48-S52 PolarHBondContact O-N 3.05Å; H48-E84 HydrophobicContact CB-CB 3.67Å; H48-C85 VanDerWaalsContact CA-SG 3.56Å; H48-C85 PolarHBondContact N-SG 2.96Å |
| 49 | R | 85.4 | Confident | 83.7 | Confident | 191 Ų | 191 | 70.3 Ų | 70.3 | 72% | 0.721 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.9 | -51.2 | 176.3 | -64.9 | -174.1 | -174 | 170 | 0.9 | 111.5 | Q47 S52 E53 | Q47-R49 VanDerWaalsContact C-N 3.26Å; Q47-R49 PolarHBondContact O-N 2.93Å; Q47-R49 VanDerWaalsContact O-N 3.11Å; R49-S52 PolarHBondContact O-N 3.16Å; R49-E53 PolarHBondContact O-N 3.42Å |
| 50 | S | 84.4 | Confident | 83.8 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 177.4 | -49.4 | 0 | 0 | 0 | 0 | 111 | Q47 S52 E53 L54 | Q47-S50 PolarHBondContact O-N 3.45Å; Q47-S50 VanDerWaalsContact O-N 3.12Å; S50-S52 VanDerWaalsContact C-N 3.33Å; S50-S52 PolarHBondContact O-N 3.08Å; S50-E53 PolarHBondContact O-N 2.99Å; S50-L54 WeakPolarHBondContact O-CG 3.11Å; S50-L54 PolarHBondContact O-N 3.4Å |
| 51 | V | 86.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | L39 M42 V43 Q47 L54 L55 L88 | L39-V51 HydrophobicContact CD2-CG1 4.35Å; M42-V51 HydrophobicContact CB-CG2 3.66Å; V43-V51 HydrophobicContact CG2-CG1 4.29Å; V43-V51 HydrophobicContact CG2-CG2 4.07Å; Q47-V51 WeakPolarHBondContact O-CG2 3.5Å; Q47-V51 PolarHBondContact O-N 3.09Å; V51-L54 PolarHBondContact O-N 2.83Å; V51-L55 HydrophobicContact CG1-CD1 3.73Å; V51-L55 HydrophobicContact CG1-CG 4.31Å; V51-L55 WeakPolarHBondContact O-CB 3.41Å; V51-L55 VanDerWaalsContact O-CG 3.24Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 2.99Å; V51-L88 HydrophobicContact CB-CD2 4.09Å; V51-L88 HydrophobicContact CG1-CD2 3.81Å |
| 52 | S | 87.9 | Confident | 84.7 | Confident | 35 Ų | 35 | 70 Ų | 70 | 25% | 0.245 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 178.5 | -174.8 | 0 | 0 | 0 | 0 | 112.7 | H48 R49 S50 L55 L56 R92 | H48-S52 WeakPolarHBondContact O-CB 3.09Å; H48-S52 PolarHBondContact O-N 3.05Å; R49-S52 PolarHBondContact O-N 3.16Å; S50-S52 VanDerWaalsContact C-N 3.33Å; S50-S52 PolarHBondContact O-N 3.08Å; S52-L55 PolarHBondContact O-N 3.44Å; S52-L56 WeakPolarHBondContact O-CB 3.28Å; S52-L56 WeakPolarHBondContact O-CD1 3.23Å; S52-L56 WeakPolarHBondContact O-CG 3.2Å; S52-L56 PolarHBondContact O-N 3.15Å; S52-R92 PolarHBondContact O-NH2 3.38Å |
| 53 | E | 83.6 | Confident | 85 | Confident | 136 Ų | 136 | 69.4 Ų | 69.4 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.5 | -43.8 | 176.6 | -76.1 | 178.9 | -172.8 | 0 | 0 | 111.7 | R49 S50 L56 | R49-E53 PolarHBondContact O-N 3.42Å; S50-E53 PolarHBondContact O-N 2.99Å; E53-L56 PolarHBondContact O-N 3.37Å |
| 54 | L | 83.6 | Confident | 85.2 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 178.2 | -66.8 | 174.7 | 0 | 0 | 0 | 112.4 | V26 L28 L39 M42 S50 V51 S58 | V26-L54 HydrophobicContact CB-CD2 4.11Å; V26-L54 HydrophobicContact CG1-CD2 4.48Å; V26-L54 WeakPolarHBondContact O-CD2 3.47Å; L28-L54 HydrophobicContact CD1-CB 3.86Å; L28-L54 HydrophobicContact CD1-CD1 4.15Å; L28-L54 HydrophobicContact CD1-CD2 4.49Å; L28-L54 HydrophobicContact CD1-CG 4.4Å; L39-L54 HydrophobicContact CD2-CB 4.22Å; L39-L54 HydrophobicContact CD2-CD1 3.98Å; M42-L54 HydrophobicContact CE-CD1 4.01Å; M42-L54 HydrophobicContact SD-CD1 3.63Å; S50-L54 WeakPolarHBondContact O-CG 3.11Å; S50-L54 PolarHBondContact O-N 3.4Å; V51-L54 PolarHBondContact O-N 2.83Å; L54-S58 WeakPolarHBondContact O-CB 3.18Å |
| 55 | L | 84.6 | Confident | 85.6 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -74.7 | -22.7 | 178.7 | -71.1 | 175.1 | 0 | 0 | 0 | 113.4 | L39 V51 S52 N57 F60 L89 R92 | L39-L55 HydrophobicContact CD1-CD2 3.84Å; L39-L55 HydrophobicContact CD1-CG 4.49Å; V51-L55 HydrophobicContact CG1-CD1 3.73Å; V51-L55 HydrophobicContact CG1-CG 4.31Å; V51-L55 WeakPolarHBondContact O-CB 3.41Å; V51-L55 VanDerWaalsContact O-CG 3.24Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 2.99Å; S52-L55 PolarHBondContact O-N 3.44Å; L55-N57 VanDerWaalsContact C-N 3.29Å; L55-N57 PolarHBondContact O-N 3.19Å; L55-F60 HydrophobicContact CD2-CB 4.2Å; L55-F60 HydrophobicContact CD2-CD1 3.74Å; L55-F60 HydrophobicContact CD2-CG 4.31Å; L55-L89 HydrophobicContact CD1-CD2 4.13Å; L55-R92 VanDerWaalsContact C-NH1 3.31Å; L55-R92 PolarHBondContact O-NH1 3.11Å |
| 56 | L | 81.4 | Confident | 85.8 | Confident | 113 Ų | 113 | 65.9 Ų | 65.9 | 59% | 0.592 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.8 | -35.6 | -179.6 | -95.1 | 154.9 | 0 | 0 | 0 | 112.7 | S52 E53 | S52-L56 WeakPolarHBondContact O-CB 3.28Å; S52-L56 WeakPolarHBondContact O-CD1 3.23Å; S52-L56 WeakPolarHBondContact O-CG 3.2Å; S52-L56 PolarHBondContact O-N 3.15Å; E53-L56 PolarHBondContact O-N 3.37Å |
| 57 | N | 72.8 | Confident | 85.6 | Confident | 160 Ų | 160 | 65.3 Ų | 65.3 | 86% | 0.856 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 9.4 | -174.1 | -64.8 | -29 | 0 | 0 | 0 | 113.6 | L55 | L55-N57 VanDerWaalsContact C-N 3.29Å; L55-N57 PolarHBondContact O-N 3.19Å |
| 58 | S | 78.3 | Confident | 85.3 | Confident | 31 Ų | 31 | 72.6 Ų | 72.6 | 22% | 0.217 | 35% | 0.353 | C | S | . | . | trans | -105.9 | 153 | -176.3 | 77.4 | 0 | 0 | 0 | 0 | 112.7 | L54 F60 | L54-S58 WeakPolarHBondContact O-CB 3.18Å; S58-F60 VanDerWaalsContact C-N 3.25Å; S58-F60 WeakPolarHBondContact OG-CB 3.47Å; S58-F60 PolarHBondContact OG-N 2.96Å | ||
| 59 | K | 82.2 | Confident | 85.3 | Confident | 204 Ų | 204 | 72.4 Ų | 72.4 | 89% | 0.887 | 36% | 0.356 | S | S | * | . | trans | -90 | 18.5 | 167.1 | -66.1 | -177.6 | -179.2 | 172.5 | 0 | 112.9 | D61 | K59-D61 PolarHBondContact O-N 3.04Š| ||
| 60 | F | 87.8 | Confident | 85.4 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | trans | -61.3 | 130.6 | -175.2 | 178.2 | -101.8 | 0 | 0 | 0 | 111.5 | L28 N32 A35 V36 L39 L55 S58 V62 Y64 L73 | L28-F60 HydrophobicContact CD2-CB 3.72Å; L28-F60 HydrophobicContact CD2-CD2 4.31Å; L28-F60 HydrophobicContact CD2-CG 4.07Å; N32-F60 HydrophobicContact CB-CD2 4.29Å; N32-F60 HydrophobicContact CB-CE2 4.22Å; N32-F60 WeakPolarHBondContact OD1-CA 3.22Å; N32-F60 WeakPolarHBondContact OD1-CD2 3.49Å; A35-F60 HydrophobicContact CB-CD2 3.63Å; A35-F60 HydrophobicContact CB-CE2 4.05Å; V36-F60 HydrophobicContact CB-CE2 4.06Å; V36-F60 HydrophobicContact CB-CZ 4.17Å; V36-F60 HydrophobicContact CG2-CE2 4.08Å; V36-F60 HydrophobicContact CG2-CZ 3.66Å; L39-F60 HydrophobicContact CD1-CD1 4.06Å; L39-F60 HydrophobicContact CD1-CE1 4.08Å; L39-F60 HydrophobicContact CD1-CG 4.37Å; L39-F60 HydrophobicContact CD1-CZ 4.44Å; L55-F60 HydrophobicContact CD2-CB 4.2Å; L55-F60 HydrophobicContact CD2-CD1 3.74Å; L55-F60 HydrophobicContact CD2-CG 4.31Å; S58-F60 VanDerWaalsContact C-N 3.25Å; S58-F60 WeakPolarHBondContact OG-CB 3.47Å; S58-F60 PolarHBondContact OG-N 2.96Å; F60-V62 HydrophobicContact CD1-CG1 4.41Å; F60-V62 PolarHBondContact O-N 3.49Å; F60-Y64 HydrophobicContact CE2-CD1 4.43Å; F60-L73 HydrophobicContact CE1-CD1 3.7Å; F60-L73 HydrophobicContact CZ-CD1 3.93Å | ||
| 61 | D | 90.1 | Very high | 85.8 | Confident | 73 Ų | 73 | 69 Ų | 69 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | trans | -77.3 | 109 | 172.1 | 177.4 | 9.4 | 0 | 0 | 0 | 109.8 | N32 K59 N63 Y64 | N32-D61 PolarHBondContact OD1-N 3.38Å; K59-D61 PolarHBondContact O-N 3.04Å; D61-N63 PolarHBondContact O-N 2.9Å; D61-N63 VanDerWaalsContact O-N 3.09Å; D61-N63 PolarHBondContact OD1-N 3.18Å; D61-Y64 WeakPolarHBondContact O-CB 3.37Å; D61-Y64 PolarHBondContact O-N 3.13Å | ||
| 62 | V | 90.4 | Very high | 86.1 | Confident | 17 Ų | 17 | 69 Ų | 69 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.3 | 179.6 | -65.7 | 0 | 0 | 0 | 0 | 113.9 | F60 L89 R92 A94 | F60-V62 HydrophobicContact CD1-CG1 4.41Å; F60-V62 PolarHBondContact O-N 3.49Å; V62-L89 HydrophobicContact CG1-CD2 4.45Å; V62-R92 HydrophobicContact CG1-CB 4Å; V62-A94 HydrophobicContact CB-CB 4.35Å; V62-A94 HydrophobicContact CG2-CB 4.18Å |
| 63 | N | 92.6 | Very high | 86.4 | Confident | 32 Ų | 32 | 67.4 Ų | 67.4 | 17% | 0.171 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 3.6 | 175 | -64.8 | -61.8 | 0 | 0 | 0 | 113.2 | D61 A65 G93 A94 N95 Y98 | D61-N63 PolarHBondContact O-N 2.9Å; D61-N63 VanDerWaalsContact O-N 3.09Å; D61-N63 PolarHBondContact OD1-N 3.18Å; N63-A65 PolarHBondContact O-N 2.87Å; N63-A65 VanDerWaalsContact O-N 3.1Å; N63-G93 PolarHBondContact ND2-O 3.29Å; N63-G93 VanDerWaalsContact ND2-O 3.16Å; N63-A94 WeakPolarHBondContact OD1-CA 3.38Å; N63-N95 PolarHBondContact OD1-N 2.99Å; N63-Y98 HydrophobicContact CB-CD2 4.25Å; N63-Y98 HydrophobicContact CB-CE2 4.28Å |
| 64 | Y | 92.4 | Very high | 87 | Confident | 57 Ų | 57 | 61 Ų | 61 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | trans | -55 | 119.3 | -179.6 | -178.2 | -104.1 | 0 | 0 | 0 | 111.3 | N32 E33 V36 F60 D61 F66 | N32-Y64 HydrophobicContact CB-CD1 3.96Å; N32-Y64 HydrophobicContact CB-CD2 3.47Å; N32-Y64 VanDerWaalsContact CB-CD2 3.47Å; N32-Y64 HydrophobicContact CB-CE1 4.12Å; N32-Y64 HydrophobicContact CB-CE2 3.65Å; N32-Y64 HydrophobicContact CB-CG 3.64Å; E33-Y64 WeakPolarHBondContact CA-OH 3.39Å; E33-Y64 HydrophobicContact CB-CE1 4.37Å; E33-Y64 VanDerWaalsContact CB-OH 3.31Å; E33-Y64 WeakPolarHBondContact CB-OH 3.32Å; V36-Y64 HydrophobicContact CB-CD1 4.24Å; V36-Y64 HydrophobicContact CG1-CD1 4.45Å; V36-Y64 HydrophobicContact CG1-CE1 4.37Å; V36-Y64 HydrophobicContact CG2-CD1 4.39Å; F60-Y64 HydrophobicContact CE2-CD1 4.43Å; D61-Y64 WeakPolarHBondContact O-CB 3.37Å; D61-Y64 PolarHBondContact O-N 3.13Å; Y64-F66 HydrophobicContact CD1-CB 3.99Å; Y64-F66 HydrophobicContact CD1-CD1 4.39Å; Y64-F66 HydrophobicContact CE1-CB 3.62Å | ||
| 65 | A | 90.5 | Very high | 87.5 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | trans | -95.4 | 119.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | N63 K70 Y98 | N63-A65 PolarHBondContact O-N 2.87Å; N63-A65 VanDerWaalsContact O-N 3.1Å; A65-K70 HydrophobicContact CB-CB 4.18Å; A65-K70 HydrophobicContact CB-CD 4.35Å; A65-Y98 HydrophobicContact CB-CE1 3.95Å | ||
| 66 | F | 86.3 | Confident | 87.9 | Confident | 16 Ų | 16 | 60.5 Ų | 60.5 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -127.9 | 168.4 | -170.5 | 65.8 | -92.3 | 0 | 0 | 0 | 112.8 | V36 M40 Y64 K70 R71 L73 I76 | V36-F66 HydrophobicContact CB-CD1 4Å; V36-F66 HydrophobicContact CB-CE1 4.38Å; V36-F66 HydrophobicContact CB-CG 4.31Å; V36-F66 HydrophobicContact CG1-CB 3.72Å; V36-F66 HydrophobicContact CG1-CD1 3.54Å; V36-F66 HydrophobicContact CG1-CD2 3.8Å; V36-F66 HydrophobicContact CG1-CE1 4.09Å; V36-F66 HydrophobicContact CG1-CE2 4.39Å; V36-F66 HydrophobicContact CG1-CG 3.36Å; V36-F66 HydrophobicContact CG2-CD1 3.29Å; V36-F66 HydrophobicContact CG2-CE1 3.36Å; V36-F66 HydrophobicContact CG2-CG 4.06Å; V36-F66 HydrophobicContact CG2-CZ 4.23Å; M40-F66 HydrophobicContact CE-CD2 4.2Å; M40-F66 HydrophobicContact CE-CE2 3.06Å; M40-F66 HydrophobicContact CE-CZ 3.31Å; Y64-F66 HydrophobicContact CD1-CB 3.99Å; Y64-F66 HydrophobicContact CD1-CD1 4.39Å; Y64-F66 HydrophobicContact CE1-CB 3.62Å; F66-K70 WeakPolarHBondContact O-CA 3.33Å; F66-K70 PolarHBondContact O-N 2.91Å; F66-R71 WeakPolarHBondContact CD1-O 3.43Å; F66-R71 WeakPolarHBondContact CE1-O 3.37Å; F66-R71 PolarHBondContact N-O 2.92Å; F66-R71 PolarHBondContact O-N 3.3Å; F66-L73 HydrophobicContact CE1-CD2 4.28Å; F66-L73 HydrophobicContact CE1-CG 4.44Å; F66-I76 HydrophobicContact CZ-CD1 4.37Å; F66-I76 HydrophobicContact CZ-CG1 3.97Å |
| 67 | G | 83.4 | Confident | 88.5 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 38% | 0.381 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | -177 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V69 K70 | G67-V69 VanDerWaalsContact C-N 3.27Å; G67-V69 PolarHBondContact O-N 3.46Å; G67-K70 PolarHBondContact O-N 3.36Å |
| 68 | R | 82.4 | Confident | 89.5 | Confident | 245 Ų | 245 | 47.5 Ų | 47.5 | 93% | 0.925 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27.9 | -176.8 | -64.1 | -174.8 | -178.7 | -170.3 | 0.2 | 113.5 | ||
| 69 | V | 84 | Confident | 90.2 | Very high | 63 Ų | 63 | 48.3 Ų | 48.3 | 38% | 0.382 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -4.7 | -176.5 | -162.4 | 0 | 0 | 0 | 0 | 111.9 | G67 R71 D100 I101 | G67-V69 VanDerWaalsContact C-N 3.27Å; G67-V69 PolarHBondContact O-N 3.46Å; V69-R71 HydrophobicContact CB-CG 4.29Å; V69-R71 HydrophobicContact CG1-CG 4.2Å; V69-R71 PolarHBondContact O-N 2.98Å; V69-D100 WeakPolarHBondContact O-CB 3.42Å; V69-I101 HydrophobicContact CB-CG2 4.42Å; V69-I101 HydrophobicContact CG1-CG2 3.94Å; V69-I101 WeakPolarHBondContact O-CG2 3.3Å; V69-I101 PolarHBondContact O-N 3.24Å |
| 70 | K | 89.3 | Confident | 90.5 | Very high | 111 Ų | 111 | 40.9 Ų | 40.9 | 48% | 0.483 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 47.4 | -178.3 | -64.8 | -65.5 | -170 | 177.6 | 0 | 113.3 | A65 F66 G67 I101 | A65-K70 HydrophobicContact CB-CB 4.18Å; A65-K70 HydrophobicContact CB-CD 4.35Å; F66-K70 WeakPolarHBondContact O-CA 3.33Å; F66-K70 PolarHBondContact O-N 2.91Å; G67-K70 PolarHBondContact O-N 3.36Å; K70-I101 HydrophobicContact CB-CB 4.39Å |
| 71 | R | 91.6 | Very high | 90.7 | Very high | 58 Ų | 58 | 40.8 Ų | 40.8 | 22% | 0.219 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -89.5 | 148.8 | 176.6 | -74.6 | -177.8 | 176.4 | 176.8 | 0.8 | 111.1 | F66 V69 H75 D100 | F66-R71 WeakPolarHBondContact CD1-O 3.43Å; F66-R71 WeakPolarHBondContact CE1-O 3.37Å; F66-R71 PolarHBondContact N-O 2.92Å; F66-R71 PolarHBondContact O-N 3.3Å; V69-R71 HydrophobicContact CB-CG 4.29Å; V69-R71 HydrophobicContact CG1-CG 4.2Å; V69-R71 PolarHBondContact O-N 2.98Å; R71-H75 HydrophobicContact CB-CB 3.98Å; R71-H75 HydrophobicContact CG-CB 4.15Å; R71-D100 HydrophobicContact CG-CB 3.73Å; R71-D100 IonicContact CZ-OD2 3.08Å; R71-D100 IonicContact NE-OD2 3.28Å; R71-D100 PolarHBondContact NE-OD2 3.23Å; R71-D100 IonicContact NH2-OD2 2.64Å |
| 72 | S | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -94.2 | 167.4 | 170.8 | 70.2 | 0 | 0 | 0 | 0 | 111.7 | L74 H75 I76 | S72-L74 PolarHBondContact O-N 3.02Å; S72-L74 PolarHBondContact OG-N 3.24Å; S72-H75 PolarHBondContact N-ND1 3.16Å; S72-H75 WeakPolarHBondContact O-CB 3.34Å; S72-H75 PolarHBondContact O-N 3.35Å; S72-H75 PolarHBondContact OG-ND1 3.34Å; S72-I76 PolarHBondContact O-N 3.46Å | ||
| 73 | L | 92.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -28.3 | 174.6 | -72.8 | 176.8 | 0 | 0 | 0 | 112.5 | V36 L39 M40 V43 F60 F66 H75 I76 A77 L89 | V36-L73 HydrophobicContact CG2-CD1 4.02Å; V36-L73 HydrophobicContact CG2-CD2 3.73Å; V36-L73 HydrophobicContact CG2-CG 3.63Å; L39-L73 HydrophobicContact CB-CD1 3.73Å; L39-L73 HydrophobicContact CB-CD2 4.31Å; L39-L73 HydrophobicContact CD1-CD1 3.68Å; L39-L73 HydrophobicContact CG-CD1 4.36Å; M40-L73 HydrophobicContact CB-CD2 4.19Å; V43-L73 HydrophobicContact CG2-CD2 4.31Å; F60-L73 HydrophobicContact CE1-CD1 3.7Å; F60-L73 HydrophobicContact CZ-CD1 3.93Å; F66-L73 HydrophobicContact CE1-CD2 4.28Å; F66-L73 HydrophobicContact CE1-CG 4.44Å; L73-H75 VanDerWaalsContact C-N 3.35Å; L73-I76 PolarHBondContact O-N 2.88Å; L73-A77 PolarHBondContact O-N 3.4Å; L73-L89 HydrophobicContact CB-CD1 3.83Å; L73-L89 HydrophobicContact CB-CD2 4.28Å; L73-L89 HydrophobicContact CD1-CD2 4.47Å |
| 74 | L | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 175.1 | -171.2 | 64.5 | 0 | 0 | 0 | 111.9 | S72 I76 A77 A78 L86 L89 L90 A94 P106 L122 | S72-L74 PolarHBondContact O-N 3.02Å; S72-L74 PolarHBondContact OG-N 3.24Å; L74-I76 VanDerWaalsContact C-N 3.35Å; L74-A77 PolarHBondContact O-N 3.44Å; L74-A78 VanDerWaalsContact O-CB 3.3Å; L74-A78 WeakPolarHBondContact O-CB 3.47Å; L74-A78 PolarHBondContact O-N 3Å; L74-L86 HydrophobicContact CD1-CD1 4.19Å; L74-L86 HydrophobicContact CD1-CG 3.79Å; L74-L89 HydrophobicContact CD1-CB 4.22Å; L74-L90 HydrophobicContact CD1-CD2 4.04Å; L74-L90 HydrophobicContact CD1-CG 3.91Å; L74-L90 HydrophobicContact CD2-CD2 3.75Å; L74-A94 HydrophobicContact CB-CB 4.29Å; L74-A94 HydrophobicContact CD2-CB 3.91Å; L74-A94 HydrophobicContact CG-CB 4.48Å; L74-P106 HydrophobicContact CB-CG 4.29Å; L74-P106 HydrophobicContact CD2-CB 4.42Å; L74-P106 HydrophobicContact CD2-CG 3.86Å; L74-P106 HydrophobicContact CG-CB 4.1Å; L74-P106 HydrophobicContact CG-CG 3.82Å; L74-L122 HydrophobicContact CD2-CD2 4.46Å |
| 75 | H | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 172.7 | -71.1 | 84.1 | 0 | 0 | 0 | 111.8 | R71 S72 L73 A78 N79 Y98 C104 P106 L109 | R71-H75 HydrophobicContact CB-CB 3.98Å; R71-H75 HydrophobicContact CG-CB 4.15Å; S72-H75 PolarHBondContact N-ND1 3.16Å; S72-H75 WeakPolarHBondContact O-CB 3.34Å; S72-H75 PolarHBondContact O-N 3.35Å; S72-H75 PolarHBondContact OG-ND1 3.34Å; L73-H75 VanDerWaalsContact C-N 3.35Å; H75-A78 PolarHBondContact O-N 3.1Å; H75-N79 WeakPolarHBondContact O-CB 3.46Å; H75-N79 PolarHBondContact O-N 3.25Å; H75-Y98 PolarHBondContact CE1-O 2.88Å; H75-Y98 PolarHBondContact NE2-O 3.5Å; H75-Y98 VanDerWaalsContact NE2-O 3.14Å; H75-C104 PolarHBondContact NE2-O 3.28Å; H75-P106 WeakPolarHBondContact NE2-CD 3.15Å; H75-L109 HydrophobicContact CB-CD1 3.74Å |
| 76 | I | 92.5 | Very high | 91.5 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.5 | -47 | 178.6 | -55.8 | -56.4 | 0 | 0 | 0 | 110.5 | M40 V43 M44 F66 S72 L73 L74 A78 N79 C80 | M40-I76 HydrophobicContact CE-CD1 4.2Å; M40-I76 HydrophobicContact CE-CG1 4.25Å; V43-I76 HydrophobicContact CG1-CG2 4.47Å; M44-I76 HydrophobicContact CG-CG2 3.47Å; M44-I76 VanDerWaalsContact CG-CG2 3.47Å; M44-I76 HydrophobicContact SD-CG2 4.32Å; F66-I76 HydrophobicContact CZ-CD1 4.37Å; F66-I76 HydrophobicContact CZ-CG1 3.97Å; S72-I76 PolarHBondContact O-N 3.46Å; L73-I76 PolarHBondContact O-N 2.88Å; L74-I76 VanDerWaalsContact C-N 3.35Å; I76-A78 VanDerWaalsContact C-N 3.33Å; I76-A78 PolarHBondContact O-N 2.78Å; I76-N79 PolarHBondContact O-N 3.19Å; I76-C80 WeakPolarHBondContact O-CB 3.06Å; I76-C80 PolarHBondContact O-N 3.31Å; I76-C80 PolarHBondContact O-SG 3.08Å |
| 77 | A | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -44.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V43 L73 L74 C80 G81 S82 L86 L89 | V43-A77 HydrophobicContact CG1-CB 3.71Å; L73-A77 PolarHBondContact O-N 3.4Å; L74-A77 PolarHBondContact O-N 3.44Å; A77-C80 PolarHBondContact O-N 3.33Å; A77-G81 PolarHBondContact O-N 2.92Å; A77-S82 PolarHBondContact O-N 3.25Å; A77-L86 HydrophobicContact CB-CB 3.9Å; A77-L86 HydrophobicContact CB-CD1 4.42Å; A77-L89 HydrophobicContact CB-CD1 4.31Å |
| 78 | A | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L74 H75 I76 L86 P106 A110 Q115 L122 | L74-A78 VanDerWaalsContact O-CB 3.3Å; L74-A78 WeakPolarHBondContact O-CB 3.47Å; L74-A78 PolarHBondContact O-N 3Å; H75-A78 PolarHBondContact O-N 3.1Å; I76-A78 VanDerWaalsContact C-N 3.33Å; I76-A78 PolarHBondContact O-N 2.78Å; A78-L86 HydrophobicContact CB-CD1 3.84Å; A78-P106 HydrophobicContact CB-CB 3.79Å; A78-P106 VanDerWaalsContact CB-O 3.31Å; A78-P106 WeakPolarHBondContact CB-O 3.37Å; A78-A110 HydrophobicContact CB-CB 4.25Å; A78-Q115 WeakPolarHBondContact O-CG 3.41Å; A78-L122 HydrophobicContact CB-CD1 4.25Å |
| 79 | N | 92.3 | Very high | 93 | Very high | 49 Ų | 49 | 25.7 Ų | 25.7 | 26% | 0.262 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -69.9 | -41.6 | 177.3 | -176 | 82.1 | 0 | 0 | 0 | 112.2 | H75 I76 L109 N113 Q115 | H75-N79 WeakPolarHBondContact O-CB 3.46Å; H75-N79 PolarHBondContact O-N 3.25Å; I76-N79 PolarHBondContact O-N 3.19Å; N79-L109 HydrophobicContact CB-CB 4.2Å; N79-L109 HydrophobicContact CB-CD1 4.26Å; N79-N113 PolarHBondContact OD1-ND2 3.37Å; N79-Q115 PolarHBondContact O-NE2 3.03Å |
| 80 | C | 88.8 | Confident | 93.6 | Very high | 47 Ų | 47 | 23.2 Ų | 23.2 | 32% | 0.318 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -85.4 | -15.2 | -176.9 | -66.9 | 0 | 0 | 0 | 0 | 114.1 | I76 A77 | I76-C80 WeakPolarHBondContact O-CB 3.06Å; I76-C80 PolarHBondContact O-N 3.31Å; I76-C80 PolarHBondContact O-SG 3.08Å; A77-C80 PolarHBondContact O-N 3.33Å |
| 81 | G | 91.8 | Very high | 93.8 | Very high | 18 Ų | 18 | 24.9 Ų | 24.9 | 19% | 0.186 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 20.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A77 V83 Q115 | A77-G81 PolarHBondContact O-N 2.92Å; G81-V83 VanDerWaalsContact C-N 3.33Å; G81-V83 WeakPolarHBondContact O-CG2 3.33Å; G81-V83 PolarHBondContact O-N 2.96Å; G81-Q115 VanDerWaalsContact CA-OE1 3.3Å |
| 82 | S | 93.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | trans | -78.7 | 77.5 | -177.4 | -49.9 | 0 | 0 | 0 | 0 | 111.1 | V43 D46 A77 E84 C85 L86 | V43-S82 WeakPolarHBondContact O-CB 3.45Å; V43-S82 PolarHBondContact O-OG 3.3Å; D46-S82 WeakPolarHBondContact OD1-CB 3.31Å; A77-S82 PolarHBondContact O-N 3.25Å; S82-E84 PolarHBondContact O-N 2.62Å; S82-C85 PolarHBondContact O-N 3.3Å; S82-L86 VanDerWaalsContact O-CB 3.23Å; S82-L86 WeakPolarHBondContact O-CB 3.33Å; S82-L86 PolarHBondContact O-N 3.43Å | ||
| 83 | V | 95 | Very high | 93.5 | Very high | 26 Ų | 26 | 28.9 Ų | 28.9 | 16% | 0.158 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | -169 | -174.7 | 0 | 0 | 0 | 0 | 112 | G81 L86 V87 K117 K121 | G81-V83 VanDerWaalsContact C-N 3.33Å; G81-V83 WeakPolarHBondContact O-CG2 3.33Å; G81-V83 PolarHBondContact O-N 2.96Å; V83-L86 WeakPolarHBondContact O-CB 3.12Å; V83-L86 PolarHBondContact O-N 2.67Å; V83-V87 WeakPolarHBondContact O-CG2 3.35Å; V83-V87 PolarHBondContact O-N 2.78Å; V83-K117 HydrophobicContact CG1-CB 4.16Å; V83-K117 HydrophobicContact CG2-CB 3.5Å; V83-K117 VanDerWaalsContact CG2-CB 3.5Å; V83-K117 HydrophobicContact CG2-CD 4.12Å; V83-K117 HydrophobicContact CG2-CG 4.46Å; V83-K121 HydrophobicContact CG1-CG 4.17Å |
| 84 | E | 94.9 | Very high | 93.6 | Very high | 100 Ų | 100 | 29.1 Ų | 29.1 | 47% | 0.467 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -71.4 | -39.8 | -175.1 | -63 | -60.1 | 165.8 | 0 | 0 | 111.1 | D46 H48 S82 L86 L88 | D46-E84 PolarHBondContact OD1-N 2.88Å; H48-E84 HydrophobicContact CB-CB 3.67Å; S82-E84 PolarHBondContact O-N 2.62Å; E84-L86 VanDerWaalsContact C-N 3.35Å; E84-L88 WeakPolarHBondContact O-CB 3.49Å; E84-L88 PolarHBondContact O-N 3.34Å |
| 85 | C | 92.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.5 | -39 | 171.7 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | V43 D46 H48 S82 L88 L89 | V43-C85 HydrophobicContact CG1-CB 4.2Å; D46-C85 VanDerWaalsContact C-SG 3.57Å; D46-C85 PolarHBondContact OD1-N 3.27Å; D46-C85 PolarHBondContact OD1-SG 2.87Å; H48-C85 VanDerWaalsContact CA-SG 3.56Å; H48-C85 PolarHBondContact N-SG 2.96Å; S82-C85 PolarHBondContact O-N 3.3Å; C85-L88 PolarHBondContact O-N 3.32Å; C85-L89 WeakPolarHBondContact O-CB 3.23Å; C85-L89 VanDerWaalsContact O-CG 3.23Å; C85-L89 WeakPolarHBondContact O-CG 3.49Å; C85-L89 PolarHBondContact O-N 3.34Å |
| 86 | L | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 176.9 | -179.7 | 139.7 | 0 | 0 | 0 | 111.3 | L74 A77 A78 S82 V83 E84 L88 L89 L90 C118 K121 L122 | L74-L86 HydrophobicContact CD1-CD1 4.19Å; L74-L86 HydrophobicContact CD1-CG 3.79Å; A77-L86 HydrophobicContact CB-CB 3.9Å; A77-L86 HydrophobicContact CB-CD1 4.42Å; A78-L86 HydrophobicContact CB-CD1 3.84Å; S82-L86 VanDerWaalsContact O-CB 3.23Å; S82-L86 WeakPolarHBondContact O-CB 3.33Å; S82-L86 PolarHBondContact O-N 3.43Å; V83-L86 WeakPolarHBondContact O-CB 3.12Å; V83-L86 PolarHBondContact O-N 2.67Å; E84-L86 VanDerWaalsContact C-N 3.35Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.34Å; L86-L89 PolarHBondContact O-N 3.01Å; L86-L90 HydrophobicContact CD2-CD1 3.56Å; L86-L90 HydrophobicContact CG-CD1 4.25Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 3.1Å; L86-C118 HydrophobicContact CD1-CB 3.92Å; L86-K121 HydrophobicContact CD2-CB 3.72Å; L86-L122 HydrophobicContact CD1-CD1 4.24Å; L86-L122 HydrophobicContact CD1-CD2 4.25Å; L86-L122 HydrophobicContact CD1-CG 4.14Å; L86-L122 HydrophobicContact CD2-CD2 4.42Å; L86-L122 HydrophobicContact CD2-CG 4.26Å |
| 87 | V | 95.9 | Very high | 93.7 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 10% | 0.097 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 176.6 | 172 | 0 | 0 | 0 | 0 | 111.2 | V83 L90 K91 K121 | V83-V87 WeakPolarHBondContact O-CG2 3.35Å; V83-V87 PolarHBondContact O-N 2.78Å; V87-L90 PolarHBondContact O-N 3.22Å; V87-K91 HydrophobicContact CG1-CD 4.12Å; V87-K91 HydrophobicContact CG1-CG 4.45Å; V87-K91 WeakPolarHBondContact O-CB 3.19Å; V87-K91 WeakPolarHBondContact O-CG 3.41Å; V87-K91 PolarHBondContact O-N 3.15Å; V87-K121 HydrophobicContact CG2-CB 4.04Å; V87-K121 HydrophobicContact CG2-CD 3.98Å; V87-K121 HydrophobicContact CG2-CG 3.64Å |
| 88 | L | 93.8 | Very high | 93.7 | Very high | 26 Ų | 26 | 38 Ų | 38 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 175.8 | 175.9 | 68.2 | 0 | 0 | 0 | 111.6 | V51 E84 C85 L86 K91 R92 | V51-L88 HydrophobicContact CB-CD2 4.09Å; V51-L88 HydrophobicContact CG1-CD2 3.81Å; E84-L88 WeakPolarHBondContact O-CB 3.49Å; E84-L88 PolarHBondContact O-N 3.34Å; C85-L88 PolarHBondContact O-N 3.32Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.34Å; L88-K91 PolarHBondContact O-N 2.98Å; L88-R92 WeakPolarHBondContact O-CG 3.41Å; L88-R92 PolarHBondContact O-N 3.43Å; L88-R92 VanDerWaalsContact O-N 3.15Å |
| 89 | L | 94.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 179.4 | -70.5 | 167.3 | 0 | 0 | 0 | 111.5 | L55 V62 L73 L74 A77 C85 L86 R92 G93 A94 | L55-L89 HydrophobicContact CD1-CD2 4.13Å; V62-L89 HydrophobicContact CG1-CD2 4.45Å; L73-L89 HydrophobicContact CB-CD1 3.83Å; L73-L89 HydrophobicContact CB-CD2 4.28Å; L73-L89 HydrophobicContact CD1-CD2 4.47Å; L74-L89 HydrophobicContact CD1-CB 4.22Å; A77-L89 HydrophobicContact CB-CD1 4.31Å; C85-L89 WeakPolarHBondContact O-CB 3.23Å; C85-L89 VanDerWaalsContact O-CG 3.23Å; C85-L89 WeakPolarHBondContact O-CG 3.49Å; C85-L89 PolarHBondContact O-N 3.34Å; L86-L89 PolarHBondContact O-N 3.01Å; L89-R92 CarbonylContact O-C 3.57Å; L89-R92 PolarHBondContact O-N 3.14Å; L89-R92 VanDerWaalsContact O-N 3.11Å; L89-G93 PolarHBondContact O-N 2.91Å; L89-A94 HydrophobicContact CB-CB 4.08Å; L89-A94 WeakPolarHBondContact O-CB 3.22Å; L89-A94 PolarHBondContact O-N 3.47Å |
| 90 | L | 95.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 175.7 | -70.9 | 168.9 | 0 | 0 | 0 | 112.1 | L74 L86 V87 R92 G93 P96 L122 Y125 | L74-L90 HydrophobicContact CD1-CD2 4.04Å; L74-L90 HydrophobicContact CD1-CG 3.91Å; L74-L90 HydrophobicContact CD2-CD2 3.75Å; L86-L90 HydrophobicContact CD2-CD1 3.56Å; L86-L90 HydrophobicContact CG-CD1 4.25Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 3.1Å; V87-L90 PolarHBondContact O-N 3.22Å; L90-R92 PolarHBondContact O-N 2.92Å; L90-G93 PolarHBondContact O-N 3.49Å; L90-P96 HydrophobicContact CD2-CB 3.98Å; L90-P96 HydrophobicContact CD2-CG 4.4Å; L90-L122 HydrophobicContact CD1-CD2 4.27Å; L90-L122 HydrophobicContact CD2-CD2 4.39Å; L90-Y125 HydrophobicContact CB-CD1 3.71Å; L90-Y125 HydrophobicContact CB-CE1 3.87Å; L90-Y125 HydrophobicContact CB-CG 4.06Å; L90-Y125 HydrophobicContact CD1-CD1 4.4Å; L90-Y125 HydrophobicContact CD1-CD2 3.95Å; L90-Y125 HydrophobicContact CD1-CG 3.88Å; L90-Y125 HydrophobicContact CG-CD1 4.48Å; L90-Y125 HydrophobicContact CG-CG 4.39Å |
| 91 | K | 93.4 | Very high | 94.1 | Very high | 146 Ų | 146 | 43.2 Ų | 43.2 | 64% | 0.635 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60.8 | -25.2 | 174.7 | -75.8 | 177.9 | 177.9 | 176.8 | 0 | 113.3 | V87 L88 G93 Y125 | V87-K91 HydrophobicContact CG1-CD 4.12Å; V87-K91 HydrophobicContact CG1-CG 4.45Å; V87-K91 WeakPolarHBondContact O-CB 3.19Å; V87-K91 WeakPolarHBondContact O-CG 3.41Å; V87-K91 PolarHBondContact O-N 3.15Å; L88-K91 PolarHBondContact O-N 2.98Å; K91-G93 VanDerWaalsContact C-N 3.32Å; K91-Y125 WeakPolarHBondContact CE-OH 3.44Å; K91-Y125 HydrophobicContact CG-CE1 4.33Å; K91-Y125 WeakPolarHBondContact CG-OH 3.42Å |
| 92 | R | 90 | Very high | 94 | Very high | 93 Ų | 93 | 44.3 Ų | 44.3 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 8.3 | 176.2 | -66 | -62.1 | -167 | 95.4 | 13.6 | 113.5 | S52 L55 V62 L88 L89 L90 | S52-R92 PolarHBondContact O-NH2 3.38Å; L55-R92 VanDerWaalsContact C-NH1 3.31Å; L55-R92 PolarHBondContact O-NH1 3.11Å; V62-R92 HydrophobicContact CG1-CB 4Å; L88-R92 WeakPolarHBondContact O-CG 3.41Å; L88-R92 PolarHBondContact O-N 3.43Å; L88-R92 VanDerWaalsContact O-N 3.15Å; L89-R92 CarbonylContact O-C 3.57Å; L89-R92 PolarHBondContact O-N 3.14Å; L89-R92 VanDerWaalsContact O-N 3.11Å; L90-R92 PolarHBondContact O-N 2.92Å |
| 93 | G | 90.7 | Very high | 94 | Very high | 48 Ų | 48 | 44.3 Ų | 44.3 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 19.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N63 L89 L90 K91 N95 | N63-G93 PolarHBondContact ND2-O 3.29Å; N63-G93 VanDerWaalsContact ND2-O 3.16Å; L89-G93 PolarHBondContact O-N 2.91Å; L90-G93 PolarHBondContact O-N 3.49Å; K91-G93 VanDerWaalsContact C-N 3.32Å; G93-N95 PolarHBondContact O-N 2.96Å |
| 94 | A | 94.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 5% | 0.05 | 22% | 0.223 | C | C | . | . | trans | -64 | 130.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V62 N63 L74 L89 P96 | V62-A94 HydrophobicContact CB-CB 4.35Å; V62-A94 HydrophobicContact CG2-CB 4.18Å; N63-A94 WeakPolarHBondContact OD1-CA 3.38Å; L74-A94 HydrophobicContact CB-CB 4.29Å; L74-A94 HydrophobicContact CD2-CB 3.91Å; L74-A94 HydrophobicContact CG-CB 4.48Å; L89-A94 HydrophobicContact CB-CB 4.08Å; L89-A94 WeakPolarHBondContact O-CB 3.22Å; L89-A94 PolarHBondContact O-N 3.47Å; A94-P96 WeakPolarHBondContact O-CD 3.42Å | ||
| 95 | N | 94.8 | Very high | 94.1 | Very high | 69 Ų | 69 | 38.7 Ų | 38.7 | 37% | 0.369 | 20% | 0.201 | S | C | . | . | trans | -78.8 | 114.6 | -179.1 | 179.3 | 1.9 | 0 | 0 | 0 | 109.9 | N63 G93 N97 Y98 | N63-N95 PolarHBondContact OD1-N 2.99Å; G93-N95 PolarHBondContact O-N 2.96Å; N95-N97 PolarHBondContact O-N 3.46Å; N95-N97 VanDerWaalsContact O-N 3.15Å; N95-N97 WeakPolarHBondContact OD1-CB 3.47Å; N95-N97 PolarHBondContact OD1-N 3.2Å; N95-Y98 WeakPolarHBondContact O-CB 3.43Å; N95-Y98 PolarHBondContact O-N 3.48Å | ||
| 96 | P | 95.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 10% | 0.097 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -14.3 | 179 | 28.3 | -35 | 0 | 0 | 0 | 113.7 | L90 A94 P106 L122 Y125 A127 | L90-P96 HydrophobicContact CD2-CB 3.98Å; L90-P96 HydrophobicContact CD2-CG 4.4Å; A94-P96 WeakPolarHBondContact O-CD 3.42Å; P96-P106 WeakPolarHBondContact O-CD 3.41Å; P96-L122 HydrophobicContact CB-CD2 4.07Å; P96-Y125 WeakPolarHBondContact CG-O 3.39Å; P96-A127 HydrophobicContact CB-CB 3.98Å |
| 97 | N | 95.9 | Very high | 94.2 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 7.3 | -178.8 | -64 | -29.3 | 0 | 0 | 0 | 113 | N95 Q99 A127 D128 I131 | N95-N97 PolarHBondContact O-N 3.46Å; N95-N97 VanDerWaalsContact O-N 3.15Å; N95-N97 WeakPolarHBondContact OD1-CB 3.47Å; N95-N97 PolarHBondContact OD1-N 3.2Å; N97-Q99 PolarHBondContact O-N 3.06Å; N97-A127 WeakPolarHBondContact OD1-CA 3.37Å; N97-D128 PolarHBondContact OD1-N 3.27Å; N97-I131 HydrophobicContact CB-CD1 3.54Å |
| 98 | Y | 94.4 | Very high | 94.2 | Very high | 81 Ų | 81 | 38.1 Ų | 38.1 | 32% | 0.318 | 20% | 0.197 | S | C | . | . | trans | -61.7 | 129.4 | 176.2 | -160.9 | -78.2 | 0 | 0 | 0 | 109.8 | N63 A65 H75 N95 P106 | N63-Y98 HydrophobicContact CB-CD2 4.25Å; N63-Y98 HydrophobicContact CB-CE2 4.28Å; A65-Y98 HydrophobicContact CB-CE1 3.95Å; H75-Y98 PolarHBondContact CE1-O 2.88Å; H75-Y98 PolarHBondContact NE2-O 3.5Å; H75-Y98 VanDerWaalsContact NE2-O 3.14Å; N95-Y98 WeakPolarHBondContact O-CB 3.43Å; N95-Y98 PolarHBondContact O-N 3.48Å; Y98-P106 WeakPolarHBondContact O-CD 3.21Å | ||
| 99 | Q | 95.4 | Very high | 94.2 | Very high | 88 Ų | 88 | 37 Ų | 37 | 41% | 0.411 | 19% | 0.192 | S | C | . | . | trans | -99.7 | 135.4 | 179.9 | -70.1 | 179.7 | -78.7 | 0 | 0 | 111.1 | N97 G103 C104 T105 I131 C132 | N97-Q99 PolarHBondContact O-N 3.06Å; Q99-G103 PolarHBondContact NE2-O 3.49Å; Q99-C104 WeakPolarHBondContact CA-O 3.3Å; Q99-T105 HydrophobicContact CG-CG2 3.78Å; Q99-I131 HydrophobicContact CG-CG2 4.07Å; Q99-I131 VanDerWaalsContact NE2-CG2 3.35Å; Q99-C132 PolarHBondContact NE2-O 2.93Å | ||
| 100 | D | 93.7 | Very high | 94.2 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | trans | -73.7 | -179.7 | 168.5 | 82.5 | 5 | 0 | 0 | 0 | 111.4 | V69 R71 S102 G103 C104 | V69-D100 WeakPolarHBondContact O-CB 3.42Å; R71-D100 HydrophobicContact CG-CB 3.73Å; R71-D100 IonicContact CZ-OD2 3.08Å; R71-D100 IonicContact NE-OD2 3.28Å; R71-D100 PolarHBondContact NE-OD2 3.23Å; R71-D100 IonicContact NH2-OD2 2.64Å; D100-S102 PolarHBondContact O-N 2.95Å; D100-S102 WeakPolarHBondContact OD1-CA 3.41Å; D100-S102 WeakPolarHBondContact OD1-CB 3.15Å; D100-S102 PolarHBondContact OD1-N 2.98Å; D100-S102 PolarHBondContact OD1-OG 3.49Å; D100-G103 PolarHBondContact O-N 2.86Å; D100-G103 PolarHBondContact OD1-N 3.4Å; D100-C104 PolarHBondContact N-O 2.94Å; D100-C104 WeakPolarHBondContact OD1-CB 3.49Å; D100-C104 PolarHBondContact OD1-N 3.42Å; D100-C104 VanDerWaalsContact OD1-N 3.09Å | ||
| 101 | I | 93.8 | Very high | 94.1 | Very high | 109 Ų | 109 | 36.5 Ų | 36.5 | 56% | 0.559 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.4 | -176.7 | -160.2 | 168.3 | 0 | 0 | 0 | 113.6 | V69 K70 G103 N134 | V69-I101 HydrophobicContact CB-CG2 4.42Å; V69-I101 HydrophobicContact CG1-CG2 3.94Å; V69-I101 WeakPolarHBondContact O-CG2 3.3Å; V69-I101 PolarHBondContact O-N 3.24Å; K70-I101 HydrophobicContact CB-CB 4.39Å; I101-G103 VanDerWaalsContact C-N 3.31Å; I101-N134 PolarHBondContact O-ND2 3.42Å |
| 102 | S | 91.8 | Very high | 94.1 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 1.9 | 177.7 | 69.7 | 0 | 0 | 0 | 0 | 113 | D100 C104 N133 N134 | D100-S102 PolarHBondContact O-N 2.95Å; D100-S102 WeakPolarHBondContact OD1-CA 3.41Å; D100-S102 WeakPolarHBondContact OD1-CB 3.15Å; D100-S102 PolarHBondContact OD1-N 2.98Å; D100-S102 PolarHBondContact OD1-OG 3.49Å; S102-C104 VanDerWaalsContact C-N 3.28Å; S102-C104 PolarHBondContact OG-SG 3.33Å; S102-N133 WeakPolarHBondContact O-CB 3.43Å; S102-N134 VanDerWaalsContact C-CG 3.45Å; S102-N134 WeakPolarHBondContact O-CB 3.3Å; S102-N134 VanDerWaalsContact O-CG 3.25Å; S102-N134 PolarHBondContact O-N 3.47Å; S102-N134 PolarHBondContact O-OD1 3.33Å |
| 103 | G | 93.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 80.1 | 6.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q99 D100 I101 N133 | Q99-G103 PolarHBondContact NE2-O 3.49Å; D100-G103 PolarHBondContact O-N 2.86Å; D100-G103 PolarHBondContact OD1-N 3.4Å; I101-G103 VanDerWaalsContact C-N 3.31Å; G103-N133 WeakPolarHBondContact O-CA 3.27Å |
| 104 | C | 95.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 5% | 0.054 | 17% | 0.166 | C | C | . | . | trans | -80.6 | 133 | -178.2 | -70.4 | 0 | 0 | 0 | 0 | 110.8 | H75 Q99 D100 S102 H108 | H75-C104 PolarHBondContact NE2-O 3.28Å; Q99-C104 WeakPolarHBondContact CA-O 3.3Å; D100-C104 PolarHBondContact N-O 2.94Å; D100-C104 WeakPolarHBondContact OD1-CB 3.49Å; D100-C104 PolarHBondContact OD1-N 3.42Å; D100-C104 VanDerWaalsContact OD1-N 3.09Å; S102-C104 VanDerWaalsContact C-N 3.28Å; S102-C104 PolarHBondContact OG-SG 3.33Å; C104-H108 HydrophobicContact CB-CB 4.29Å | ||
| 105 | T | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -91 | 166.6 | 171.4 | 72.1 | 0 | 0 | 0 | 0 | 111.7 | Q99 L107 H108 L109 I131 | Q99-T105 HydrophobicContact CG-CG2 3.78Å; T105-L107 PolarHBondContact O-N 3.28Å; T105-L107 PolarHBondContact OG1-N 3.19Å; T105-H108 PolarHBondContact N-ND1 3.13Å; T105-H108 WeakPolarHBondContact O-CB 3.47Å; T105-H108 PolarHBondContact O-N 2.96Å; T105-H108 PolarHBondContact OG1-ND1 3.48Å; T105-L109 PolarHBondContact O-N 3.06Å; T105-I131 HydrophobicContact CG2-CB 4.12Å; T105-I131 HydrophobicContact CG2-CD1 4.04Å; T105-I131 HydrophobicContact CG2-CG2 3.64Å | ||
| 106 | P | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53 | -34.9 | 170.2 | -27.1 | 35.1 | 0 | 0 | 0 | 113.2 | L74 H75 A78 P96 Y98 H108 L109 A110 L122 | L74-P106 HydrophobicContact CB-CG 4.29Å; L74-P106 HydrophobicContact CD2-CB 4.42Å; L74-P106 HydrophobicContact CD2-CG 3.86Å; L74-P106 HydrophobicContact CG-CB 4.1Å; L74-P106 HydrophobicContact CG-CG 3.82Å; H75-P106 WeakPolarHBondContact NE2-CD 3.15Å; A78-P106 HydrophobicContact CB-CB 3.79Å; A78-P106 VanDerWaalsContact CB-O 3.31Å; A78-P106 WeakPolarHBondContact CB-O 3.37Å; P96-P106 WeakPolarHBondContact O-CD 3.41Å; Y98-P106 WeakPolarHBondContact O-CD 3.21Å; P106-H108 PolarHBondContact O-N 3.07Å; P106-L109 PolarHBondContact O-N 3.06Å; P106-A110 WeakPolarHBondContact O-CB 3.48Å; P106-A110 PolarHBondContact O-N 3.24Å; P106-L122 HydrophobicContact CB-CD1 4.1Å; P106-L122 HydrophobicContact CB-CD2 4.08Å |
| 107 | L | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.3 | -39.1 | 177.5 | -175 | 64.3 | 0 | 0 | 0 | 112.2 | T105 L109 A110 A111 M119 L122 L123 A127 V129 A139 L155 | T105-L107 PolarHBondContact O-N 3.28Å; T105-L107 PolarHBondContact OG1-N 3.19Å; L107-L109 PolarHBondContact O-N 2.89Å; L107-A110 PolarHBondContact O-N 3.02Å; L107-A111 WeakPolarHBondContact O-CB 3.43Å; L107-A111 PolarHBondContact O-N 3.09Å; L107-M119 HydrophobicContact CD1-CB 4.33Å; L107-M119 HydrophobicContact CD1-CE 4.45Å; L107-M119 HydrophobicContact CD1-CG 4.18Å; L107-L122 HydrophobicContact CB-CD1 4.37Å; L107-L122 HydrophobicContact CD1-CB 4.29Å; L107-L122 HydrophobicContact CD1-CD1 4.37Å; L107-L123 HydrophobicContact CD2-CD2 4.32Å; L107-A127 HydrophobicContact CD2-CB 4.26Å; L107-V129 HydrophobicContact CD2-CB 4.49Å; L107-V129 HydrophobicContact CD2-CG1 4Å; L107-A139 HydrophobicContact CD2-CB 4.14Å; L107-A139 HydrophobicContact CG-CB 4.05Å; L107-L155 HydrophobicContact CD2-CD1 4.37Å |
| 108 | H | 94.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 174.3 | -66.4 | 91.1 | 0 | 0 | 0 | 111.7 | C104 T105 P106 A111 R112 I131 L137 T138 W142 | C104-H108 HydrophobicContact CB-CB 4.29Å; T105-H108 PolarHBondContact N-ND1 3.13Å; T105-H108 WeakPolarHBondContact O-CB 3.47Å; T105-H108 PolarHBondContact O-N 2.96Å; T105-H108 PolarHBondContact OG1-ND1 3.48Å; P106-H108 PolarHBondContact O-N 3.07Å; H108-A111 PolarHBondContact O-N 3.06Å; H108-R112 VanDerWaalsContact O-CB 3.3Å; H108-R112 WeakPolarHBondContact O-CB 3.49Å; H108-R112 PolarHBondContact O-N 3.49Å; H108-I131 PolarHBondContact CE1-O 2.92Å; H108-I131 PolarHBondContact NE2-O 3.1Å; H108-I131 VanDerWaalsContact NE2-O 3.08Å; H108-L137 PolarHBondContact NE2-O 2.91Å; H108-T138 WeakPolarHBondContact NE2-CA 3.4Å; H108-W142 AromaticContact CD2-CD1 3.62Å; H108-W142 AromaticContact CD2-NE1 3.62Å |
| 109 | L | 93.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.9 | -37 | 179.7 | -59.8 | -177.3 | 0 | 0 | 0 | 112.1 | H75 N79 T105 P106 L107 N113 | H75-L109 HydrophobicContact CB-CD1 3.74Å; N79-L109 HydrophobicContact CB-CB 4.2Å; N79-L109 HydrophobicContact CB-CD1 4.26Å; T105-L109 PolarHBondContact O-N 3.06Å; P106-L109 PolarHBondContact O-N 3.06Å; L107-L109 PolarHBondContact O-N 2.89Å; L109-N113 PolarHBondContact O-N 3.46Å; L109-N113 VanDerWaalsContact O-N 3.12Å; L109-N113 PolarHBondContact O-ND2 3.47Å |
| 110 | A | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.2 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | A78 P106 L107 N113 G114 Q115 C118 M119 L122 | A78-A110 HydrophobicContact CB-CB 4.25Å; P106-A110 WeakPolarHBondContact O-CB 3.48Å; P106-A110 PolarHBondContact O-N 3.24Å; L107-A110 PolarHBondContact O-N 3.02Å; A110-N113 PolarHBondContact O-N 2.83Å; A110-G114 PolarHBondContact O-N 2.98Å; A110-Q115 HydrophobicContact CB-CB 4.22Å; A110-Q115 PolarHBondContact O-N 2.57Å; A110-C118 HydrophobicContact CB-CB 4.31Å; A110-M119 HydrophobicContact CB-CG 3.58Å; A110-L122 HydrophobicContact CB-CD1 4.09Å |
| 111 | A | 93.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -48.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L107 H108 N113 G114 M119 A139 W142 L143 | L107-A111 WeakPolarHBondContact O-CB 3.43Å; L107-A111 PolarHBondContact O-N 3.09Å; H108-A111 PolarHBondContact O-N 3.06Å; A111-N113 VanDerWaalsContact C-N 3.31Å; A111-N113 PolarHBondContact O-N 2.79Å; A111-G114 PolarHBondContact O-N 3.06Å; A111-M119 HydrophobicContact CB-CE 4.23Å; A111-M119 HydrophobicContact CB-SD 4.16Å; A111-A139 HydrophobicContact CB-CB 4.27Å; A111-W142 HydrophobicContact CB-CB 4.17Å; A111-L143 HydrophobicContact CB-CD2 3.78Å; A111-L143 HydrophobicContact CB-CG 3.99Å |
| 112 | R | 91.6 | Very high | 93.9 | Very high | 123 Ų | 123 | 32 Ų | 32 | 46% | 0.464 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -56.9 | -41.6 | 177.8 | 179.3 | 178.9 | 173.4 | 168.6 | -0.2 | 112.7 | H108 W142 N146 | H108-R112 VanDerWaalsContact O-CB 3.3Å; H108-R112 WeakPolarHBondContact O-CB 3.49Å; H108-R112 PolarHBondContact O-N 3.49Å; R112-W142 HydrophobicContact CB-CB 4.32Å; R112-W142 HydrophobicContact CB-CD2 4.15Å; R112-W142 HydrophobicContact CB-CE3 3.9Å; R112-W142 HydrophobicContact CB-CG 4.35Å; R112-W142 HydrophobicContact CG-CD2 4.43Å; R112-W142 HydrophobicContact CG-CE3 3.71Å; R112-W142 HydrophobicContact CG-CZ3 4.06Å; R112-N146 PolarHBondContact O-ND2 2.9Å |
| 113 | N | 90.1 | Very high | 93.9 | Very high | 62 Ų | 62 | 31.3 Ų | 31.3 | 33% | 0.332 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 3.2 | -178.5 | -64.3 | -63.6 | 0 | 0 | 0 | 113.9 | N79 L109 A110 A111 Q115 | N79-N113 PolarHBondContact OD1-ND2 3.37Å; L109-N113 PolarHBondContact O-N 3.46Å; L109-N113 VanDerWaalsContact O-N 3.12Å; L109-N113 PolarHBondContact O-ND2 3.47Å; A110-N113 PolarHBondContact O-N 2.83Å; A111-N113 VanDerWaalsContact C-N 3.31Å; A111-N113 PolarHBondContact O-N 2.79Å; N113-Q115 HydrophobicContact CB-CG 3.94Å |
| 114 | G | 91.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 36.9 Ų | 36.9 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 29.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A110 A111 K116 | A110-G114 PolarHBondContact O-N 2.98Å; A111-G114 PolarHBondContact O-N 3.06Å; G114-K116 PolarHBondContact O-N 2.79Å |
| 115 | Q | 93.9 | Very high | 93.8 | Very high | 54 Ų | 54 | 40.4 Ų | 40.4 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | trans | -83.1 | 74.7 | -173 | -57.9 | -68 | 1.5 | 0 | 0 | 112.1 | A78 N79 G81 A110 N113 K117 C118 M119 | A78-Q115 WeakPolarHBondContact O-CG 3.41Å; N79-Q115 PolarHBondContact O-NE2 3.03Å; G81-Q115 VanDerWaalsContact CA-OE1 3.3Å; A110-Q115 HydrophobicContact CB-CB 4.22Å; A110-Q115 PolarHBondContact O-N 2.57Å; N113-Q115 HydrophobicContact CB-CG 3.94Å; Q115-K117 PolarHBondContact O-N 3.33Å; Q115-C118 HydrophobicContact CB-CB 3.92Å; Q115-C118 PolarHBondContact O-N 2.94Å; Q115-C118 VanDerWaalsContact O-N 3.07Å; Q115-M119 PolarHBondContact O-N 3.5Å | ||
| 116 | K | 93.4 | Very high | 93.6 | Very high | 97 Ų | 97 | 47 Ų | 47 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -45 | -54.5 | -174.5 | -169.5 | 160.9 | -169.2 | 171.8 | 0 | 114.4 | G114 C118 M119 G120 E150 L151 D154 | G114-K116 PolarHBondContact O-N 2.79Å; K116-C118 PolarHBondContact O-N 3.49Å; K116-M119 PolarHBondContact O-N 2.8Å; K116-G120 PolarHBondContact O-N 3.29Å; K116-E150 IonicContact NZ-OE2 3.19Å; K116-E150 PolarHBondContact NZ-OE2 3.01Å; K116-L151 HydrophobicContact CB-CD2 3.49Å; K116-L151 VanDerWaalsContact CB-CD2 3.49Å; K116-L151 HydrophobicContact CD-CD2 3.79Å; K116-L151 HydrophobicContact CG-CD2 3.38Å; K116-D154 WeakPolarHBondContact CE-OD2 3.44Å |
| 117 | K | 93.8 | Very high | 93.4 | Very high | 156 Ų | 156 | 47.4 Ų | 47.4 | 68% | 0.678 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.1 | -38.8 | -176.8 | -67.2 | -177.6 | -179.1 | 179.6 | 0 | 112.2 | V83 Q115 G120 K121 | V83-K117 HydrophobicContact CG1-CB 4.16Å; V83-K117 HydrophobicContact CG2-CB 3.5Å; V83-K117 VanDerWaalsContact CG2-CB 3.5Å; V83-K117 HydrophobicContact CG2-CD 4.12Å; V83-K117 HydrophobicContact CG2-CG 4.46Å; Q115-K117 PolarHBondContact O-N 3.33Å; K117-G120 PolarHBondContact O-N 3.49Å; K117-K121 WeakPolarHBondContact O-CG 3.48Å; K117-K121 PolarHBondContact O-N 3.02Å |
| 118 | C | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.6 | -42.3 | 176.8 | -70.9 | 0 | 0 | 0 | 0 | 111.1 | L86 A110 Q115 K116 K121 L122 | L86-C118 HydrophobicContact CD1-CB 3.92Å; A110-C118 HydrophobicContact CB-CB 4.31Å; Q115-C118 HydrophobicContact CB-CB 3.92Å; Q115-C118 PolarHBondContact O-N 2.94Å; Q115-C118 VanDerWaalsContact O-N 3.07Å; K116-C118 PolarHBondContact O-N 3.49Å; C118-K121 PolarHBondContact O-N 3.07Å; C118-L122 WeakPolarHBondContact O-CB 3.41Å; C118-L122 VanDerWaalsContact O-CG 3.27Å; C118-L122 WeakPolarHBondContact O-CG 3.33Å; C118-L122 PolarHBondContact O-N 3.19Å |
| 119 | M | 94.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.03 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.3 | -49.3 | 174.6 | -70.2 | -179.7 | 63.4 | 0 | 0 | 111.7 | L107 A110 A111 Q115 K116 K121 L122 L123 L143 L151 L155 | L107-M119 HydrophobicContact CD1-CB 4.33Å; L107-M119 HydrophobicContact CD1-CE 4.45Å; L107-M119 HydrophobicContact CD1-CG 4.18Å; A110-M119 HydrophobicContact CB-CG 3.58Å; A111-M119 HydrophobicContact CB-CE 4.23Å; A111-M119 HydrophobicContact CB-SD 4.16Å; Q115-M119 PolarHBondContact O-N 3.5Å; K116-M119 PolarHBondContact O-N 2.8Å; M119-K121 VanDerWaalsContact C-N 3.3Å; M119-K121 PolarHBondContact O-N 2.87Å; M119-L122 PolarHBondContact O-N 3.12Å; M119-L122 VanDerWaalsContact O-N 3.13Å; M119-L123 WeakPolarHBondContact O-CG 3.44Å; M119-L123 PolarHBondContact O-N 2.9Å; M119-L143 HydrophobicContact CE-CD1 4.02Å; M119-L143 HydrophobicContact CE-CD2 4.16Å; M119-L143 HydrophobicContact SD-CD2 4.24Å; M119-L151 HydrophobicContact CE-CB 4.31Å; M119-L151 HydrophobicContact SD-CB 4.2Å; M119-L151 HydrophobicContact SD-CD1 3.86Å; M119-L151 HydrophobicContact SD-CD2 4.47Å; M119-L151 HydrophobicContact SD-CG 4.41Å; M119-L155 HydrophobicContact CE-CD1 4.29Å |
| 120 | G | 92.6 | Very high | 92.9 | Very high | 30 Ų | 30 | 54.1 Ų | 54.1 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.3 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K116 K117 L123 E124 | K116-G120 PolarHBondContact O-N 3.29Å; K117-G120 PolarHBondContact O-N 3.49Å; G120-L123 PolarHBondContact O-N 3.33Å; G120-E124 WeakPolarHBondContact O-CG 3.31Å; G120-E124 PolarHBondContact O-N 3.48Å |
| 121 | K | 95.1 | Very high | 92.8 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.1 | -35.8 | 175.7 | -67.7 | -50.4 | -174.9 | -163.1 | 0 | 114 | V83 L86 V87 K117 C118 M119 E124 Y125 | V83-K121 HydrophobicContact CG1-CG 4.17Å; L86-K121 HydrophobicContact CD2-CB 3.72Å; V87-K121 HydrophobicContact CG2-CB 4.04Å; V87-K121 HydrophobicContact CG2-CD 3.98Å; V87-K121 HydrophobicContact CG2-CG 3.64Å; K117-K121 WeakPolarHBondContact O-CG 3.48Å; K117-K121 PolarHBondContact O-N 3.02Å; C118-K121 PolarHBondContact O-N 3.07Å; M119-K121 VanDerWaalsContact C-N 3.3Å; M119-K121 PolarHBondContact O-N 2.87Å; K121-E124 WeakPolarHBondContact CD-OE2 3.4Å; K121-E124 IonicContact NZ-OE1 2.67Å; K121-E124 PolarHBondContact NZ-OE1 3.38Å; K121-E124 IonicContact NZ-OE2 3.13Å; K121-E124 PolarHBondContact NZ-OE2 3.45Å; K121-Y125 VanDerWaalsContact O-CD2 3.22Å; K121-Y125 WeakPolarHBondContact O-CD2 3.46Å; K121-Y125 PolarHBondContact O-N 2.87Å |
| 122 | L | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 174.5 | -73.2 | 166.1 | 0 | 0 | 0 | 111.1 | L74 A78 L86 L90 P96 P106 L107 A110 C118 M119 Y125 N126 A127 | L74-L122 HydrophobicContact CD2-CD2 4.46Å; A78-L122 HydrophobicContact CB-CD1 4.25Å; L86-L122 HydrophobicContact CD1-CD1 4.24Å; L86-L122 HydrophobicContact CD1-CD2 4.25Å; L86-L122 HydrophobicContact CD1-CG 4.14Å; L86-L122 HydrophobicContact CD2-CD2 4.42Å; L86-L122 HydrophobicContact CD2-CG 4.26Å; L90-L122 HydrophobicContact CD1-CD2 4.27Å; L90-L122 HydrophobicContact CD2-CD2 4.39Å; P96-L122 HydrophobicContact CB-CD2 4.07Å; P106-L122 HydrophobicContact CB-CD1 4.1Å; P106-L122 HydrophobicContact CB-CD2 4.08Å; L107-L122 HydrophobicContact CB-CD1 4.37Å; L107-L122 HydrophobicContact CD1-CB 4.29Å; L107-L122 HydrophobicContact CD1-CD1 4.37Å; A110-L122 HydrophobicContact CB-CD1 4.09Å; C118-L122 WeakPolarHBondContact O-CB 3.41Å; C118-L122 VanDerWaalsContact O-CG 3.27Å; C118-L122 WeakPolarHBondContact O-CG 3.33Å; C118-L122 PolarHBondContact O-N 3.19Å; M119-L122 PolarHBondContact O-N 3.12Å; M119-L122 VanDerWaalsContact O-N 3.13Å; L122-Y125 CarbonylContact O-C 3.56Å; L122-Y125 PolarHBondContact O-N 3.35Å; L122-N126 PolarHBondContact O-N 2.96Å; L122-A127 HydrophobicContact CB-CB 3.94Å; L122-A127 WeakPolarHBondContact O-CB 3.33Å; L122-A127 PolarHBondContact O-N 2.93Å |
| 123 | L | 92.6 | Very high | 92.8 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 176.7 | -65.6 | 170.4 | 0 | 0 | 0 | 112.3 | L107 M119 G120 Y125 N126 V129 L155 | L107-L123 HydrophobicContact CD2-CD2 4.32Å; M119-L123 WeakPolarHBondContact O-CG 3.44Å; M119-L123 PolarHBondContact O-N 2.9Å; G120-L123 PolarHBondContact O-N 3.33Å; L123-Y125 PolarHBondContact O-N 3Å; L123-N126 PolarHBondContact O-N 3.02Å; L123-V129 HydrophobicContact CD2-CG1 3.5Å; L123-V129 VanDerWaalsContact CD2-CG1 3.5Å; L123-L155 HydrophobicContact CD1-CD1 4.11Å; L123-L155 HydrophobicContact CD2-CD1 4Å |
| 124 | E | 93.1 | Very high | 93 | Very high | 119 Ų | 119 | 56 Ų | 56 | 56% | 0.556 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.4 | -28.8 | 172.7 | -77.5 | 175.4 | -154.5 | 0 | 0 | 112.9 | G120 K121 | G120-E124 WeakPolarHBondContact O-CG 3.31Å; G120-E124 PolarHBondContact O-N 3.48Å; K121-E124 WeakPolarHBondContact CD-OE2 3.4Å; K121-E124 IonicContact NZ-OE1 2.67Å; K121-E124 PolarHBondContact NZ-OE1 3.38Å; K121-E124 IonicContact NZ-OE2 3.13Å; K121-E124 PolarHBondContact NZ-OE2 3.45Å |
| 125 | Y | 93.9 | Very high | 93 | Very high | 82 Ų | 82 | 60.6 Ų | 60.6 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 26.2 | 178.4 | -77 | -105.7 | 0 | 0 | 0 | 112.6 | L90 K91 P96 K121 L122 L123 A127 | L90-Y125 HydrophobicContact CB-CD1 3.71Å; L90-Y125 HydrophobicContact CB-CE1 3.87Å; L90-Y125 HydrophobicContact CB-CG 4.06Å; L90-Y125 HydrophobicContact CD1-CD1 4.4Å; L90-Y125 HydrophobicContact CD1-CD2 3.95Å; L90-Y125 HydrophobicContact CD1-CG 3.88Å; L90-Y125 HydrophobicContact CG-CD1 4.48Å; L90-Y125 HydrophobicContact CG-CG 4.39Å; K91-Y125 WeakPolarHBondContact CE-OH 3.44Å; K91-Y125 HydrophobicContact CG-CE1 4.33Å; K91-Y125 WeakPolarHBondContact CG-OH 3.42Å; P96-Y125 WeakPolarHBondContact CG-O 3.39Å; K121-Y125 VanDerWaalsContact O-CD2 3.22Å; K121-Y125 WeakPolarHBondContact O-CD2 3.46Å; K121-Y125 PolarHBondContact O-N 2.87Å; L122-Y125 CarbonylContact O-C 3.56Å; L122-Y125 PolarHBondContact O-N 3.35Å; L123-Y125 PolarHBondContact O-N 3Å; Y125-A127 PolarHBondContact O-N 3.24Å |
| 126 | N | 90.3 | Very high | 92.9 | Very high | 138 Ų | 138 | 58.7 Ų | 58.7 | 74% | 0.738 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 38.2 | 175.3 | -56.9 | -24 | 0 | 0 | 0 | 114.5 | L122 L123 D128 | L122-N126 PolarHBondContact O-N 2.96Å; L123-N126 PolarHBondContact O-N 3.02Å; N126-D128 PolarHBondContact O-N 3.5Å |
| 127 | A | 93.5 | Very high | 92.9 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | trans | -60.6 | 128.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | P96 N97 L107 L122 Y125 V129 | P96-A127 HydrophobicContact CB-CB 3.98Å; N97-A127 WeakPolarHBondContact OD1-CA 3.37Å; L107-A127 HydrophobicContact CD2-CB 4.26Å; L122-A127 HydrophobicContact CB-CB 3.94Å; L122-A127 WeakPolarHBondContact O-CB 3.33Å; L122-A127 PolarHBondContact O-N 2.93Å; Y125-A127 PolarHBondContact O-N 3.24Å; A127-V129 PolarHBondContact O-N 2.92Å | ||
| 128 | D | 92 | Very high | 92.9 | Very high | 69 Ų | 69 | 48 Ų | 48 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | trans | -81.3 | 119.1 | 178.2 | -174.5 | -3.5 | 0 | 0 | 0 | 109.9 | N97 N126 N130 I131 | N97-D128 PolarHBondContact OD1-N 3.27Å; N126-D128 PolarHBondContact O-N 3.5Å; D128-N130 VanDerWaalsContact C-N 3.27Å; D128-N130 PolarHBondContact O-N 3.08Å; D128-N130 WeakPolarHBondContact OD1-CB 3.43Å; D128-N130 PolarHBondContact OD1-N 3.19Å; D128-N130 PolarHBondContact OD1-ND2 3.06Å; D128-N130 VanDerWaalsContact OD1-ND2 3.1Å; D128-I131 HydrophobicContact CB-CD1 3.86Å; D128-I131 HydrophobicContact CB-CG1 3.94Å | ||
| 129 | V | 91.2 | Very high | 92.8 | Very high | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15.8 | -178.3 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | L107 L123 A127 L155 H158 V159 | L107-V129 HydrophobicContact CD2-CB 4.49Å; L107-V129 HydrophobicContact CD2-CG1 4Å; L123-V129 HydrophobicContact CD2-CG1 3.5Å; L123-V129 VanDerWaalsContact CD2-CG1 3.5Å; A127-V129 PolarHBondContact O-N 2.92Å; V129-L155 HydrophobicContact CB-CD1 4.28Å; V129-L155 HydrophobicContact CG1-CD1 3.57Å; V129-L155 HydrophobicContact CG1-CG 4.41Å; V129-H158 HydrophobicContact CG1-CB 4.35Å; V129-H158 WeakPolarHBondContact CG2-O 3.35Å; V129-V159 HydrophobicContact CB-CG2 4.1Å; V129-V159 HydrophobicContact CG2-CB 4.46Å; V129-V159 HydrophobicContact CG2-CG2 3.67Å |
| 130 | N | 89.2 | Confident | 92.8 | Very high | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -6.3 | -174.3 | -54.7 | -68.3 | 0 | 0 | 0 | 113.6 | D128 C132 | D128-N130 VanDerWaalsContact C-N 3.27Å; D128-N130 PolarHBondContact O-N 3.08Å; D128-N130 WeakPolarHBondContact OD1-CB 3.43Å; D128-N130 PolarHBondContact OD1-N 3.19Å; D128-N130 PolarHBondContact OD1-ND2 3.06Å; D128-N130 VanDerWaalsContact OD1-ND2 3.1Å; N130-C132 PolarHBondContact O-N 2.88Å |
| 131 | I | 92.6 | Very high | 92.9 | Very high | 28 Ų | 28 | 46.6 Ų | 46.6 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | trans | -62.6 | 127 | 176.2 | -64.7 | 173.4 | 0 | 0 | 0 | 108.5 | N97 Q99 T105 H108 D128 | N97-I131 HydrophobicContact CB-CD1 3.54Å; Q99-I131 HydrophobicContact CG-CG2 4.07Å; Q99-I131 VanDerWaalsContact NE2-CG2 3.35Å; T105-I131 HydrophobicContact CG2-CB 4.12Å; T105-I131 HydrophobicContact CG2-CD1 4.04Å; T105-I131 HydrophobicContact CG2-CG2 3.64Å; H108-I131 PolarHBondContact CE1-O 2.92Å; H108-I131 PolarHBondContact NE2-O 3.1Å; H108-I131 VanDerWaalsContact NE2-O 3.08Å; D128-I131 HydrophobicContact CB-CD1 3.86Å; D128-I131 HydrophobicContact CB-CG1 3.94Å | ||
| 132 | C | 92.8 | Very high | 92.8 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 43% | 0.426 | 24% | 0.235 | S | C | . | . | trans | -98 | 147.5 | 173.6 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | Q99 N130 L137 T138 | Q99-C132 PolarHBondContact NE2-O 2.93Å; N130-C132 PolarHBondContact O-N 2.88Å; C132-L137 WeakPolarHBondContact CA-O 3.43Å; C132-T138 HydrophobicContact CB-CG2 4.23Å | ||
| 133 | N | 93.8 | Very high | 92.8 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | trans | -75.9 | -178.4 | 167.2 | 81.5 | -12.4 | 0 | 0 | 0 | 110.8 | S102 G103 E135 G136 L137 | S102-N133 WeakPolarHBondContact O-CB 3.43Å; G103-N133 WeakPolarHBondContact O-CA 3.27Å; N133-E135 PolarHBondContact O-N 3.36Å; N133-E135 WeakPolarHBondContact OD1-CA 3.44Å; N133-E135 WeakPolarHBondContact OD1-CB 3.4Å; N133-E135 PolarHBondContact OD1-N 3.17Å; N133-G136 PolarHBondContact O-N 3.18Å; N133-G136 PolarHBondContact OD1-N 2.92Å; N133-L137 PolarHBondContact N-O 3.39Å; N133-L137 WeakPolarHBondContact OD1-CB 3.48Å; N133-L137 PolarHBondContact OD1-N 3.14Å; N133-L137 PolarHBondContact OD1-O 3.1Å | ||
| 134 | N | 92.6 | Very high | 92.9 | Very high | 122 Ų | 122 | 44 Ų | 44 | 65% | 0.652 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.7 | -178.8 | -64 | -7.2 | 0 | 0 | 0 | 113.9 | I101 S102 | I101-N134 PolarHBondContact O-ND2 3.42Å; S102-N134 VanDerWaalsContact C-CG 3.45Å; S102-N134 WeakPolarHBondContact O-CB 3.3Å; S102-N134 VanDerWaalsContact O-CG 3.25Å; S102-N134 PolarHBondContact O-N 3.47Å; S102-N134 PolarHBondContact O-OD1 3.33Å |
| 135 | E | 92 | Very high | 92.9 | Very high | 117 Ų | 117 | 40.9 Ų | 40.9 | 55% | 0.547 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 5.1 | 175.7 | -61.3 | 172.5 | 162.9 | 0 | 0 | 112 | N133 L137 A167 | N133-E135 PolarHBondContact O-N 3.36Å; N133-E135 WeakPolarHBondContact OD1-CA 3.44Å; N133-E135 WeakPolarHBondContact OD1-CB 3.4Å; N133-E135 PolarHBondContact OD1-N 3.17Å; E135-L137 HydrophobicContact CB-CD1 4.3Å; E135-L137 HydrophobicContact CB-CG 4.17Å; E135-L137 PolarHBondContact O-N 3.23Å; E135-L137 WeakPolarHBondContact OE2-CD1 3.31Å; E135-A167 VanDerWaalsContact O-CB 3.26Å; E135-A167 WeakPolarHBondContact O-CB 3.37Å; E135-A167 PolarHBondContact O-N 3Å |
| 136 | G | 91.9 | Very high | 92.7 | Very high | 15 Ų | 15 | 40 Ų | 40 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 79.5 | 0.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N133 | N133-G136 PolarHBondContact O-N 3.18Å; N133-G136 PolarHBondContact OD1-N 2.92Å |
| 137 | L | 93.4 | Very high | 92.8 | Very high | 25 Ų | 25 | 34.4 Ų | 34.4 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | trans | -76.6 | 130.7 | -178.1 | -58.1 | 172.2 | 0 | 0 | 0 | 111.1 | H108 C132 N133 E135 H141 W142 D166 | H108-L137 PolarHBondContact NE2-O 2.91Å; C132-L137 WeakPolarHBondContact CA-O 3.43Å; N133-L137 PolarHBondContact N-O 3.39Å; N133-L137 WeakPolarHBondContact OD1-CB 3.48Å; N133-L137 PolarHBondContact OD1-N 3.14Å; N133-L137 PolarHBondContact OD1-O 3.1Å; E135-L137 HydrophobicContact CB-CD1 4.3Å; E135-L137 HydrophobicContact CB-CG 4.17Å; E135-L137 PolarHBondContact O-N 3.23Å; E135-L137 WeakPolarHBondContact OE2-CD1 3.31Å; L137-H141 HydrophobicContact CB-CB 4.26Å; L137-H141 HydrophobicContact CD2-CB 3.82Å; L137-W142 HydrophobicContact CD1-CZ2 4Å; L137-D166 HydrophobicContact CD2-CB 3.76Å | ||
| 138 | T | 93.7 | Very high | 92.8 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | trans | -101.8 | 174.5 | 171.1 | 60 | 0 | 0 | 0 | 0 | 111.7 | H108 C132 I140 H141 W142 V164 | H108-T138 WeakPolarHBondContact NE2-CA 3.4Å; C132-T138 HydrophobicContact CB-CG2 4.23Å; T138-I140 PolarHBondContact O-N 3.48Å; T138-I140 VanDerWaalsContact O-N 3.17Å; T138-I140 VanDerWaalsContact OG1-CG2 3.22Å; T138-I140 WeakPolarHBondContact OG1-CG2 3.49Å; T138-H141 PolarHBondContact N-ND1 2.92Å; T138-H141 WeakPolarHBondContact O-CB 3.49Å; T138-H141 PolarHBondContact O-N 3.17Å; T138-H141 VanDerWaalsContact O-N 3.08Å; T138-H141 PolarHBondContact OG1-ND1 2.95Å; T138-W142 VanDerWaalsContact O-CD1 3.32Å; T138-V164 HydrophobicContact CG2-CB 4.43Å; T138-V164 HydrophobicContact CG2-CG1 3.76Å | ||
| 139 | A | 93.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.3 | -33.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L107 A111 H141 W142 L143 L155 | L107-A139 HydrophobicContact CD2-CB 4.14Å; L107-A139 HydrophobicContact CG-CB 4.05Å; A111-A139 HydrophobicContact CB-CB 4.27Å; A139-H141 VanDerWaalsContact C-N 3.3Å; A139-H141 PolarHBondContact O-N 3.42Å; A139-W142 PolarHBondContact O-N 2.93Å; A139-L143 WeakPolarHBondContact O-CG 3.38Å; A139-L143 PolarHBondContact O-N 3.23Å; A139-L155 HydrophobicContact CB-CD2 3.82Å |
| 140 | I | 94.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -34.2 | 179.1 | -154.4 | 178.3 | 0 | 0 | 0 | 112.4 | T138 L143 A144 L152 L155 V156 V162 A172 L188 | T138-I140 PolarHBondContact O-N 3.48Å; T138-I140 VanDerWaalsContact O-N 3.17Å; T138-I140 VanDerWaalsContact OG1-CG2 3.22Å; T138-I140 WeakPolarHBondContact OG1-CG2 3.49Å; I140-L143 PolarHBondContact O-N 3.22Å; I140-A144 WeakPolarHBondContact O-CB 3.41Å; I140-A144 PolarHBondContact O-N 3.05Å; I140-L152 HydrophobicContact CD1-CD1 3.9Å; I140-L152 HydrophobicContact CG1-CD1 3.29Å; I140-L155 HydrophobicContact CB-CD2 4.36Å; I140-V156 HydrophobicContact CD1-CG2 4.03Å; I140-V162 HydrophobicContact CD1-CB 4.15Å; I140-V162 HydrophobicContact CD1-CG1 4.12Å; I140-A172 HydrophobicContact CB-CB 4.45Å; I140-A172 HydrophobicContact CD1-CB 4.46Å; I140-A172 HydrophobicContact CG1-CB 4.12Å; I140-A172 HydrophobicContact CG2-CB 3.86Å; I140-L188 HydrophobicContact CD1-CD2 3.81Å; I140-L188 HydrophobicContact CG1-CD2 4.26Å |
| 141 | H | 94.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -45.9 | 176.1 | -68.2 | 87.8 | 0 | 0 | 0 | 111.1 | L137 T138 A139 L143 A144 V145 V164 Q170 A172 | L137-H141 HydrophobicContact CB-CB 4.26Å; L137-H141 HydrophobicContact CD2-CB 3.82Å; T138-H141 PolarHBondContact N-ND1 2.92Å; T138-H141 WeakPolarHBondContact O-CB 3.49Å; T138-H141 PolarHBondContact O-N 3.17Å; T138-H141 VanDerWaalsContact O-N 3.08Å; T138-H141 PolarHBondContact OG1-ND1 2.95Å; A139-H141 VanDerWaalsContact C-N 3.3Å; A139-H141 PolarHBondContact O-N 3.42Å; H141-L143 VanDerWaalsContact C-N 3.28Å; H141-L143 PolarHBondContact O-N 3.46Å; H141-A144 WeakPolarHBondContact O-CA 3.4Å; H141-A144 WeakPolarHBondContact O-CB 3.41Å; H141-A144 PolarHBondContact O-N 3.09Å; H141-V145 WeakPolarHBondContact O-CG2 3.43Å; H141-V145 PolarHBondContact O-N 3.3Å; H141-V164 PolarHBondContact CE1-O 3.22Å; H141-V164 PolarHBondContact NE2-O 3.31Å; H141-Q170 PolarHBondContact NE2-O 3.36Å; H141-A172 PolarHBondContact NE2-N 3.1Å |
| 142 | W | 93.3 | Very high | 92.9 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -32.8 | 178.5 | -68.4 | 100.8 | 0 | 0 | 0 | 113.4 | H108 A111 R112 L137 T138 A139 N146 | H108-W142 AromaticContact CD2-CD1 3.62Å; H108-W142 AromaticContact CD2-NE1 3.62Å; A111-W142 HydrophobicContact CB-CB 4.17Å; R112-W142 HydrophobicContact CB-CB 4.32Å; R112-W142 HydrophobicContact CB-CD2 4.15Å; R112-W142 HydrophobicContact CB-CE3 3.9Å; R112-W142 HydrophobicContact CB-CG 4.35Å; R112-W142 HydrophobicContact CG-CD2 4.43Å; R112-W142 HydrophobicContact CG-CE3 3.71Å; R112-W142 HydrophobicContact CG-CZ3 4.06Å; L137-W142 HydrophobicContact CD1-CZ2 4Å; T138-W142 VanDerWaalsContact O-CD1 3.32Å; A139-W142 PolarHBondContact O-N 2.93Å; W142-N146 PolarHBondContact O-ND2 3.29Å |
| 143 | L | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.3 | -40.4 | 172.6 | -63.7 | 176.2 | 0 | 0 | 0 | 111.4 | A111 M119 A139 I140 H141 N146 G147 R148 L151 L152 L155 | A111-L143 HydrophobicContact CB-CD2 3.78Å; A111-L143 HydrophobicContact CB-CG 3.99Å; M119-L143 HydrophobicContact CE-CD1 4.02Å; M119-L143 HydrophobicContact CE-CD2 4.16Å; M119-L143 HydrophobicContact SD-CD2 4.24Å; A139-L143 WeakPolarHBondContact O-CG 3.38Å; A139-L143 PolarHBondContact O-N 3.23Å; I140-L143 PolarHBondContact O-N 3.22Å; H141-L143 VanDerWaalsContact C-N 3.28Å; H141-L143 PolarHBondContact O-N 3.46Å; L143-N146 PolarHBondContact O-N 3.48Å; L143-G147 PolarHBondContact O-N 3.01Å; L143-R148 HydrophobicContact CB-CB 4.44Å; L143-R148 HydrophobicContact CD2-CB 3.81Å; L143-R148 HydrophobicContact CD2-CG 4.42Å; L143-R148 PolarHBondContact O-N 3.17Å; L143-L151 HydrophobicContact CD1-CB 4.32Å; L143-L151 HydrophobicContact CD2-CB 3.7Å; L143-L151 HydrophobicContact CD2-CD1 4.12Å; L143-L152 HydrophobicContact CB-CB 4.39Å; L143-L152 HydrophobicContact CB-CD1 4.45Å; L143-L152 HydrophobicContact CD1-CB 4.21Å; L143-L152 HydrophobicContact CD1-CD1 4.28Å; L143-L155 HydrophobicContact CD1-CB 4.04Å; L143-L155 HydrophobicContact CD1-CD2 3.58Å; L143-L155 HydrophobicContact CD1-CG 4.43Å |
| 144 | A | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | I140 H141 N146 G147 A172 V175 A176 H181 T184 | I140-A144 WeakPolarHBondContact O-CB 3.41Å; I140-A144 PolarHBondContact O-N 3.05Å; H141-A144 WeakPolarHBondContact O-CA 3.4Å; H141-A144 WeakPolarHBondContact O-CB 3.41Å; H141-A144 PolarHBondContact O-N 3.09Å; A144-N146 PolarHBondContact O-N 2.95Å; A144-G147 PolarHBondContact O-N 3.42Å; A144-A172 HydrophobicContact CB-CB 3.89Å; A144-A172 VanDerWaalsContact CB-O 3.3Å; A144-A172 WeakPolarHBondContact CB-O 3.23Å; A144-V175 HydrophobicContact CB-CB 4.25Å; A144-V175 HydrophobicContact CB-CG1 4.21Å; A144-A176 HydrophobicContact CB-CB 4.2Å; A144-H181 PolarHBondContact O-CD2 2.85Å; A144-T184 HydrophobicContact CB-CG2 4.32Å |
| 145 | V | 93.4 | Very high | 92.4 | Very high | 53 Ų | 53 | 38.3 Ų | 38.3 | 32% | 0.321 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -54.3 | -43.5 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | H141 V175 H181 | H141-V145 WeakPolarHBondContact O-CG2 3.43Å; H141-V145 PolarHBondContact O-N 3.3Å; V145-V175 HydrophobicContact CB-CG1 4.14Å; V145-V175 HydrophobicContact CG2-CG1 3.39Å; V145-H181 PolarHBondContact O-NE2 2.89Å |
| 146 | N | 90.1 | Very high | 92.2 | Very high | 65 Ų | 65 | 33.6 Ų | 33.6 | 35% | 0.348 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 4.4 | -172.2 | -65 | -65.5 | 0 | 0 | 0 | 114.2 | R112 W142 L143 A144 R148 | R112-N146 PolarHBondContact O-ND2 2.9Å; W142-N146 PolarHBondContact O-ND2 3.29Å; L143-N146 PolarHBondContact O-N 3.48Å; A144-N146 PolarHBondContact O-N 2.95Å; N146-R148 VanDerWaalsContact C-N 3.29Å; N146-R148 HydrophobicContact CB-CG 3.82Å; N146-R148 PolarHBondContact O-N 3.27Å |
| 147 | G | 92.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 31.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L143 A144 T149 H181 T184 | L143-G147 PolarHBondContact O-N 3.01Å; A144-G147 PolarHBondContact O-N 3.42Å; G147-T149 PolarHBondContact O-N 3.07Å; G147-H181 VanDerWaalsContact CA-CD2 3.48Å; G147-H181 WeakPolarHBondContact CA-CD2 3.39Å; G147-H181 PolarHBondContact N-CD2 3.08Å; G147-H181 VanDerWaalsContact N-CD2 3.33Å; G147-H181 PolarHBondContact N-NE2 3.39Å; G147-T184 WeakPolarHBondContact CA-OG1 3.43Å |
| 148 | R | 93 | Very high | 91.4 | Very high | 116 Ų | 116 | 43.9 Ų | 43.9 | 44% | 0.438 | 22% | 0.215 | S | C | . | . | trans | -82.4 | 61.1 | -173.6 | -61.9 | -65.8 | -171.5 | -177.5 | -0.5 | 111.8 | L143 N146 E150 L151 L152 | L143-R148 HydrophobicContact CB-CB 4.44Å; L143-R148 HydrophobicContact CD2-CB 3.81Å; L143-R148 HydrophobicContact CD2-CG 4.42Å; L143-R148 PolarHBondContact O-N 3.17Å; N146-R148 VanDerWaalsContact C-N 3.29Å; N146-R148 HydrophobicContact CB-CG 3.82Å; N146-R148 PolarHBondContact O-N 3.27Å; R148-E150 PolarHBondContact O-N 2.95Å; R148-L151 HydrophobicContact CB-CB 4.29Å; R148-L151 HydrophobicContact CB-CD1 4.14Å; R148-L151 HydrophobicContact CB-CG 4.38Å; R148-L151 HydrophobicContact CG-CD1 4.48Å; R148-L151 PolarHBondContact O-N 3.43Å; R148-L151 VanDerWaalsContact O-N 3.09Å; R148-L152 PolarHBondContact O-N 2.86Å | ||
| 149 | T | 92.2 | Very high | 91 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57 | -39.1 | -169.8 | -51.4 | 0 | 0 | 0 | 0 | 114.5 | G147 L151 L152 H153 T183 T184 C187 | G147-T149 PolarHBondContact O-N 3.07Å; T149-L151 PolarHBondContact O-N 2.87Å; T149-L152 WeakPolarHBondContact O-CB 3.06Å; T149-L152 PolarHBondContact O-N 3.29Å; T149-H153 PolarHBondContact O-N 3.33Å; T149-T183 WeakPolarHBondContact CG2-O 3.42Å; T149-T183 PolarHBondContact OG1-OG1 2.97Å; T149-T184 PolarHBondContact OG1-N 3.4Å; T149-T184 VanDerWaalsContact OG1-N 3.17Å; T149-T184 PolarHBondContact OG1-OG1 3.27Å; T149-C187 HydrophobicContact CG2-CB 3.87Å |
| 150 | E | 90.4 | Very high | 90.2 | Very high | 133 Ų | 133 | 50.4 Ų | 50.4 | 62% | 0.621 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.8 | -44.1 | 177.1 | -69.1 | -173.9 | -164.9 | 0 | 0 | 112.3 | K116 R148 L152 H153 D154 | K116-E150 IonicContact NZ-OE2 3.19Å; K116-E150 PolarHBondContact NZ-OE2 3.01Å; R148-E150 PolarHBondContact O-N 2.95Å; E150-L152 VanDerWaalsContact C-N 3.29Å; E150-H153 WeakPolarHBondContact O-CB 3.22Å; E150-H153 PolarHBondContact O-N 3.33Å; E150-D154 PolarHBondContact O-N 3.04Å |
| 151 | L | 91.8 | Very high | 89.8 | Confident | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.7 | -32.9 | 179.5 | -58.2 | -176.5 | 0 | 0 | 0 | 111.3 | K116 M119 L143 R148 T149 H153 D154 L155 | K116-L151 HydrophobicContact CB-CD2 3.49Å; K116-L151 VanDerWaalsContact CB-CD2 3.49Å; K116-L151 HydrophobicContact CD-CD2 3.79Å; K116-L151 HydrophobicContact CG-CD2 3.38Å; M119-L151 HydrophobicContact CE-CB 4.31Å; M119-L151 HydrophobicContact SD-CB 4.2Å; M119-L151 HydrophobicContact SD-CD1 3.86Å; M119-L151 HydrophobicContact SD-CD2 4.47Å; M119-L151 HydrophobicContact SD-CG 4.41Å; L143-L151 HydrophobicContact CD1-CB 4.32Å; L143-L151 HydrophobicContact CD2-CB 3.7Å; L143-L151 HydrophobicContact CD2-CD1 4.12Å; R148-L151 HydrophobicContact CB-CB 4.29Å; R148-L151 HydrophobicContact CB-CD1 4.14Å; R148-L151 HydrophobicContact CB-CG 4.38Å; R148-L151 HydrophobicContact CG-CD1 4.48Å; R148-L151 PolarHBondContact O-N 3.43Å; R148-L151 VanDerWaalsContact O-N 3.09Å; T149-L151 PolarHBondContact O-N 2.87Å; L151-H153 VanDerWaalsContact C-N 3.35Å; L151-D154 PolarHBondContact O-N 3.32Å; L151-L155 VanDerWaalsContact O-CB 3.31Å; L151-L155 WeakPolarHBondContact O-CB 3.38Å; L151-L155 PolarHBondContact O-N 2.94Å |
| 152 | L | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 173.2 | 178.5 | 67.7 | 0 | 0 | 0 | 110.4 | I140 L143 R148 T149 E150 D154 L155 V156 T184 C187 L188 | I140-L152 HydrophobicContact CD1-CD1 3.9Å; I140-L152 HydrophobicContact CG1-CD1 3.29Å; L143-L152 HydrophobicContact CB-CB 4.39Å; L143-L152 HydrophobicContact CB-CD1 4.45Å; L143-L152 HydrophobicContact CD1-CB 4.21Å; L143-L152 HydrophobicContact CD1-CD1 4.28Å; R148-L152 PolarHBondContact O-N 2.86Å; T149-L152 WeakPolarHBondContact O-CB 3.06Å; T149-L152 PolarHBondContact O-N 3.29Å; E150-L152 VanDerWaalsContact C-N 3.29Å; L152-D154 VanDerWaalsContact C-N 3.32Å; L152-D154 PolarHBondContact O-N 3.42Å; L152-L155 PolarHBondContact O-N 3.25Å; L152-V156 HydrophobicContact CD1-CG2 3.65Å; L152-V156 HydrophobicContact CG-CG2 3.98Å; L152-V156 WeakPolarHBondContact O-CB 3.46Å; L152-V156 WeakPolarHBondContact O-CG2 3.46Å; L152-V156 PolarHBondContact O-N 2.97Å; L152-T184 HydrophobicContact CD2-CG2 3.49Å; L152-T184 VanDerWaalsContact CD2-CG2 3.49Å; L152-C187 HydrophobicContact CD2-CB 4.03Å; L152-L188 HydrophobicContact CD1-CD2 4.01Å; L152-L188 HydrophobicContact CD2-CD1 4.5Å; L152-L188 HydrophobicContact CD2-CD2 3.77Å; L152-L188 HydrophobicContact CD2-CG 3.76Å; L152-L188 HydrophobicContact CG-CD2 4.4Å |
| 153 | H | 90.1 | Very high | 89.7 | Confident | 107 Ų | 107 | 53.7 Ų | 53.7 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 177.5 | -168.3 | 67.4 | 0 | 0 | 0 | 112 | T149 E150 L151 | T149-H153 PolarHBondContact O-N 3.33Å; E150-H153 WeakPolarHBondContact O-CB 3.22Å; E150-H153 PolarHBondContact O-N 3.33Å; L151-H153 VanDerWaalsContact C-N 3.35Å |
| 154 | D | 87.9 | Confident | 89.6 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 35% | 0.353 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.6 | -65.6 | -21.4 | 0 | 0 | 0 | 111.5 | K116 E150 L151 L152 H158 | K116-D154 WeakPolarHBondContact CE-OD2 3.44Å; E150-D154 PolarHBondContact O-N 3.04Å; L151-D154 PolarHBondContact O-N 3.32Å; L152-D154 VanDerWaalsContact C-N 3.32Å; L152-D154 PolarHBondContact O-N 3.42Å; D154-H158 PolarHBondContact O-CD2 2.82Å |
| 155 | L | 89.6 | Confident | 89.6 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.5 | -40.7 | -177.5 | -171.3 | 73.5 | 0 | 0 | 0 | 112.2 | L107 M119 L123 V129 A139 I140 L143 L151 L152 Q157 H158 V159 | L107-L155 HydrophobicContact CD2-CD1 4.37Å; M119-L155 HydrophobicContact CE-CD1 4.29Å; L123-L155 HydrophobicContact CD1-CD1 4.11Å; L123-L155 HydrophobicContact CD2-CD1 4Å; V129-L155 HydrophobicContact CB-CD1 4.28Å; V129-L155 HydrophobicContact CG1-CD1 3.57Å; V129-L155 HydrophobicContact CG1-CG 4.41Å; A139-L155 HydrophobicContact CB-CD2 3.82Å; I140-L155 HydrophobicContact CB-CD2 4.36Å; L143-L155 HydrophobicContact CD1-CB 4.04Å; L143-L155 HydrophobicContact CD1-CD2 3.58Å; L143-L155 HydrophobicContact CD1-CG 4.43Å; L151-L155 VanDerWaalsContact O-CB 3.31Å; L151-L155 WeakPolarHBondContact O-CB 3.38Å; L151-L155 PolarHBondContact O-N 2.94Å; L152-L155 PolarHBondContact O-N 3.25Å; L155-Q157 PolarHBondContact O-N 2.99Å; L155-H158 WeakPolarHBondContact O-CA 3.13Å; L155-H158 WeakPolarHBondContact O-CB 3.37Å; L155-H158 PolarHBondContact O-N 2.91Å; L155-V159 HydrophobicContact CG-CG2 4.23Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 3.03Å |
| 156 | V | 88.9 | Confident | 89.6 | Confident | 18 Ų | 18 | 58 Ų | 58 | 11% | 0.109 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -25 | -174.2 | 170.8 | 0 | 0 | 0 | 0 | 112.4 | I140 L152 H158 V159 V162 S191 | I140-V156 HydrophobicContact CD1-CG2 4.03Å; L152-V156 HydrophobicContact CD1-CG2 3.65Å; L152-V156 HydrophobicContact CG-CG2 3.98Å; L152-V156 WeakPolarHBondContact O-CB 3.46Å; L152-V156 WeakPolarHBondContact O-CG2 3.46Å; L152-V156 PolarHBondContact O-N 2.97Å; V156-H158 PolarHBondContact O-N 3.3Å; V156-H158 VanDerWaalsContact O-N 3.14Å; V156-V159 PolarHBondContact O-N 2.87Å; V156-V159 VanDerWaalsContact O-N 3.1Å; V156-V162 HydrophobicContact CG1-CG1 3.94Å; V156-V162 HydrophobicContact CG2-CG1 4.35Å; V156-S191 VanDerWaalsContact CG1-CB 3.47Å; V156-S191 WeakPolarHBondContact CG1-OG 3.5Å |
| 157 | Q | 85.5 | Confident | 89.7 | Confident | 140 Ų | 140 | 58 Ų | 58 | 65% | 0.654 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.2 | 170.9 | -64.5 | 180 | 7.1 | 0 | 0 | 113.2 | L155 | L155-Q157 PolarHBondContact O-N 2.99Š|
| 158 | H | 83.4 | Confident | 89.7 | Confident | 116 Ų | 116 | 62.7 Ų | 62.7 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 1.5 | 179 | -60.6 | -74.5 | 0 | 0 | 0 | 113.3 | V129 D154 L155 V156 | V129-H158 HydrophobicContact CG1-CB 4.35Å; V129-H158 WeakPolarHBondContact CG2-O 3.35Å; D154-H158 PolarHBondContact O-CD2 2.82Å; L155-H158 WeakPolarHBondContact O-CA 3.13Å; L155-H158 WeakPolarHBondContact O-CB 3.37Å; L155-H158 PolarHBondContact O-N 2.91Å; V156-H158 PolarHBondContact O-N 3.3Å; V156-H158 VanDerWaalsContact O-N 3.14Å |
| 159 | V | 84.2 | Confident | 89.8 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | trans | -104.8 | 127.1 | -177.8 | 175 | 0 | 0 | 0 | 0 | 109.6 | V129 L155 V156 N161 V162 | V129-V159 HydrophobicContact CB-CG2 4.1Å; V129-V159 HydrophobicContact CG2-CB 4.46Å; V129-V159 HydrophobicContact CG2-CG2 3.67Å; L155-V159 HydrophobicContact CG-CG2 4.23Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 3.03Å; V156-V159 PolarHBondContact O-N 2.87Å; V156-V159 VanDerWaalsContact O-N 3.1Å; V159-N161 WeakPolarHBondContact CG1-O 3.41Å; V159-V162 HydrophobicContact CG1-CG1 4.24Å | ||
| 160 | S | 76.9 | Confident | 89.9 | Confident | 116 Ų | 116 | 57.6 Ų | 57.6 | 81% | 0.811 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -85.7 | -25.5 | 177.9 | 53.3 | 0 | 0 | 0 | 0 | 114 | ||
| 161 | N | 87 | Confident | 90.2 | Very high | 81 Ų | 81 | 51.2 Ų | 51.2 | 43% | 0.433 | 28% | 0.278 | S | S | . | . | trans | -136.3 | 117.3 | 176.1 | 178.5 | 20.7 | 0 | 0 | 0 | 109.5 | V159 D163 V164 | V159-N161 WeakPolarHBondContact CG1-O 3.41Å; N161-D163 PolarHBondContact OD1-N 2.94Å; N161-V164 WeakPolarHBondContact O-CG2 3.45Å | ||
| 162 | V | 91.2 | Very high | 90.4 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -83.5 | -18 | 178.4 | -65.7 | 0 | 0 | 0 | 0 | 113 | I140 V156 V159 V164 A193 | I140-V162 HydrophobicContact CD1-CB 4.15Å; I140-V162 HydrophobicContact CD1-CG1 4.12Å; V156-V162 HydrophobicContact CG1-CG1 3.94Å; V156-V162 HydrophobicContact CG2-CG1 4.35Å; V159-V162 HydrophobicContact CG1-CG1 4.24Å; V162-V164 PolarHBondContact O-N 2.87Å; V162-A193 HydrophobicContact CG2-CB 3.76Å |
| 163 | D | 93.2 | Very high | 90.6 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | trans | -90.3 | 48.6 | 178.1 | -65.5 | -40.3 | 0 | 0 | 0 | 111.2 | N161 T171 A193 D194 | N161-D163 PolarHBondContact OD1-N 2.94Å; D163-T171 HydrophobicContact CB-CG2 4.12Å; D163-A193 WeakPolarHBondContact OD1-CA 3.44Å; D163-D194 PolarHBondContact OD1-N 2.81Å; D163-D194 WeakPolarHBondContact OD2-CB 3.26Å; D163-D194 PolarHBondContact OD2-N 3.33Å | ||
| 164 | V | 92.7 | Very high | 91 | Very high | 34 Ų | 34 | 45.7 Ų | 45.7 | 21% | 0.206 | 25% | 0.252 | C | S | . | . | trans | -72.6 | 132.4 | 167.5 | -174.1 | 0 | 0 | 0 | 0 | 107.9 | T138 H141 N161 V162 T171 | T138-V164 HydrophobicContact CG2-CB 4.43Å; T138-V164 HydrophobicContact CG2-CG1 3.76Å; H141-V164 PolarHBondContact CE1-O 3.22Å; H141-V164 PolarHBondContact NE2-O 3.31Å; N161-V164 WeakPolarHBondContact O-CG2 3.45Å; V162-V164 PolarHBondContact O-N 2.87Å; V164-T171 WeakPolarHBondContact O-CA 3.46Å | ||
| 165 | E | 94.2 | Very high | 91.4 | Very high | 82 Ų | 82 | 43 Ų | 43 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | trans | -100 | 135.7 | -176.9 | -69.7 | 172.6 | -161.3 | 0 | 0 | 110.2 | Q170 T171 R197 | E165-Q170 CarbonylContact C-O 3.53Å; E165-Q170 WeakPolarHBondContact CA-O 3.32Å; E165-T171 HydrophobicContact CG-CG2 4.03Å; E165-R197 IonicContact OE1-CZ 2.78Å; E165-R197 IonicContact OE1-NE 3.56Å; E165-R197 PolarHBondContact OE1-NE 3.03Å; E165-R197 VanDerWaalsContact OE1-NE 3.08Å; E165-R197 IonicContact OE1-NH2 3.73Å; E165-R197 PolarHBondContact OE1-NH2 2.73Å | ||
| 166 | D | 93.7 | Very high | 91.7 | Very high | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.144 | 24% | 0.238 | C | C | . | . | trans | -76.5 | -177 | 169.9 | 78.1 | -0.3 | 0 | 0 | 0 | 112 | L137 M168 G169 Q170 | L137-D166 HydrophobicContact CD2-CB 3.76Å; D166-M168 PolarHBondContact O-N 3.44Å; D166-M168 VanDerWaalsContact OD1-CA 3.32Å; D166-M168 WeakPolarHBondContact OD1-CA 3.3Å; D166-M168 WeakPolarHBondContact OD1-CB 3.42Å; D166-M168 PolarHBondContact OD1-N 2.85Å; D166-G169 PolarHBondContact O-N 3.19Å; D166-G169 PolarHBondContact OD1-N 3.1Å; D166-G169 VanDerWaalsContact OD1-N 3.11Å; D166-Q170 PolarHBondContact N-O 3.29Å; D166-Q170 WeakPolarHBondContact OD1-CB 3.44Å; D166-Q170 PolarHBondContact OD1-N 3.18Å | ||
| 167 | A | 92.8 | Very high | 92.1 | Very high | 66 Ų | 66 | 42.1 Ų | 42.1 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -17.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E135 | E135-A167 VanDerWaalsContact O-CB 3.26Å; E135-A167 WeakPolarHBondContact O-CB 3.37Å; E135-A167 PolarHBondContact O-N 3Å |
| 168 | M | 93 | Very high | 92.6 | Very high | 118 Ų | 118 | 38.1 Ų | 38.1 | 58% | 0.581 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 6.4 | 177.7 | -59.5 | -61.9 | 153.4 | 0 | 0 | 112.6 | D166 Q170 V200 | D166-M168 PolarHBondContact O-N 3.44Å; D166-M168 VanDerWaalsContact OD1-CA 3.32Å; D166-M168 WeakPolarHBondContact OD1-CA 3.3Å; D166-M168 WeakPolarHBondContact OD1-CB 3.42Å; D166-M168 PolarHBondContact OD1-N 2.85Å; M168-Q170 VanDerWaalsContact C-N 3.27Å; M168-Q170 HydrophobicContact CB-CG 4.23Å; M168-V200 VanDerWaalsContact C-CG2 3.5Å; M168-V200 WeakPolarHBondContact O-CB 3.44Å; M168-V200 VanDerWaalsContact O-CG2 3.3Å; M168-V200 WeakPolarHBondContact O-CG2 3.28Å; M168-V200 PolarHBondContact O-N 3.36Å |
| 169 | G | 94 | Very high | 93.2 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 75.3 | 13.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D166 N199 | D166-G169 PolarHBondContact O-N 3.19Å; D166-G169 PolarHBondContact OD1-N 3.1Å; D166-G169 VanDerWaalsContact OD1-N 3.11Å; G169-N199 WeakPolarHBondContact O-CA 3.48Å; G169-N199 WeakPolarHBondContact O-CB 3.36Å |
| 170 | Q | 95.9 | Very high | 93.7 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 15% | 0.154 | 21% | 0.208 | C | C | . | . | trans | -84.8 | 137.1 | 179.1 | -58.1 | -173.3 | 30.1 | 0 | 0 | 110.2 | H141 E165 D166 M168 H174 N199 F208 | H141-Q170 PolarHBondContact NE2-O 3.36Å; E165-Q170 CarbonylContact C-O 3.53Å; E165-Q170 WeakPolarHBondContact CA-O 3.32Å; D166-Q170 PolarHBondContact N-O 3.29Å; D166-Q170 WeakPolarHBondContact OD1-CB 3.44Å; D166-Q170 PolarHBondContact OD1-N 3.18Å; M168-Q170 VanDerWaalsContact C-N 3.27Å; M168-Q170 HydrophobicContact CB-CG 4.23Å; Q170-H174 HydrophobicContact CB-CB 4.09Å; Q170-N199 HydrophobicContact CG-CB 4.16Å; Q170-F208 HydrophobicContact CG-CZ 4.22Å | ||
| 171 | T | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -95 | 166.9 | 171.5 | 69.1 | 0 | 0 | 0 | 0 | 110.9 | D163 V164 E165 L173 H174 V175 R197 | D163-T171 HydrophobicContact CB-CG2 4.12Å; V164-T171 WeakPolarHBondContact O-CA 3.46Å; E165-T171 HydrophobicContact CG-CG2 4.03Å; T171-L173 PolarHBondContact O-N 2.92Å; T171-L173 PolarHBondContact OG1-N 3.35Å; T171-H174 PolarHBondContact N-ND1 3.17Å; T171-H174 WeakPolarHBondContact O-CB 3.4Å; T171-H174 PolarHBondContact O-N 2.94Å; T171-H174 PolarHBondContact OG1-ND1 2.91Å; T171-V175 PolarHBondContact O-N 3.45Å; T171-R197 HydrophobicContact CG2-CG 4.32Å | ||
| 172 | A | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.2 | -27.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I140 H141 A144 V175 A176 L188 | I140-A172 HydrophobicContact CB-CB 4.45Å; I140-A172 HydrophobicContact CD1-CB 4.46Å; I140-A172 HydrophobicContact CG1-CB 4.12Å; I140-A172 HydrophobicContact CG2-CB 3.86Å; H141-A172 PolarHBondContact NE2-N 3.1Å; A144-A172 HydrophobicContact CB-CB 3.89Å; A144-A172 VanDerWaalsContact CB-O 3.3Å; A144-A172 WeakPolarHBondContact CB-O 3.23Å; A172-V175 PolarHBondContact O-N 3.08Å; A172-A176 WeakPolarHBondContact O-CB 3.45Å; A172-A176 PolarHBondContact O-N 3.18Å; A172-L188 HydrophobicContact CB-CD1 4.07Å; A172-L188 HydrophobicContact CB-CD2 4.26Å; A172-L188 WeakPolarHBondContact O-CD1 3.4Å |
| 173 | L | 97.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | 175.3 | -176.5 | 61.2 | 0 | 0 | 0 | 111.5 | T171 V175 A176 C177 V185 L188 L189 A193 P205 | T171-L173 PolarHBondContact O-N 2.92Å; T171-L173 PolarHBondContact OG1-N 3.35Å; L173-V175 VanDerWaalsContact C-N 3.34Å; L173-V175 PolarHBondContact O-N 3.38Å; L173-A176 PolarHBondContact O-N 3.22Å; L173-C177 WeakPolarHBondContact O-CB 3.41Å; L173-C177 PolarHBondContact O-N 3.48Å; L173-C177 PolarHBondContact O-SG 3.49Å; L173-V185 HydrophobicContact CD1-CB 4.41Å; L173-V185 HydrophobicContact CD1-CG1 3.97Å; L173-V185 HydrophobicContact CD1-CG2 4.44Å; L173-L188 HydrophobicContact CB-CD1 4.21Å; L173-L188 HydrophobicContact CD1-CB 4.19Å; L173-L188 HydrophobicContact CD1-CD1 4.33Å; L173-L189 HydrophobicContact CD1-CD2 4.23Å; L173-L189 HydrophobicContact CD1-CG 4.2Å; L173-L189 HydrophobicContact CD2-CD2 3.73Å; L173-A193 HydrophobicContact CB-CB 4.49Å; L173-A193 HydrophobicContact CD2-CB 4.15Å; L173-P205 HydrophobicContact CB-CG 4.49Å; L173-P205 HydrophobicContact CD2-CB 4.1Å; L173-P205 HydrophobicContact CD2-CG 3.76Å; L173-P205 HydrophobicContact CG-CB 3.92Å; L173-P205 HydrophobicContact CG-CG 3.91Å |
| 174 | H | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -48.3 | 174.3 | -65.7 | 85.1 | 0 | 0 | 0 | 111.2 | Q170 T171 A176 C177 Q178 R197 A203 F208 | Q170-H174 HydrophobicContact CB-CB 4.09Å; T171-H174 PolarHBondContact N-ND1 3.17Å; T171-H174 WeakPolarHBondContact O-CB 3.4Å; T171-H174 PolarHBondContact O-N 2.94Å; T171-H174 PolarHBondContact OG1-ND1 2.91Å; H174-A176 PolarHBondContact O-N 2.78Å; H174-C177 WeakPolarHBondContact O-CB 3.3Å; H174-C177 PolarHBondContact O-N 2.97Å; H174-Q178 WeakPolarHBondContact O-CB 3.32Å; H174-Q178 PolarHBondContact O-N 2.99Å; H174-R197 PolarHBondContact CE1-O 3.34Å; H174-R197 PolarHBondContact NE2-O 3.27Å; H174-A203 PolarHBondContact NE2-O 2.77Å; H174-F208 HydrophobicContact CB-CD2 4.19Å; H174-F208 HydrophobicContact CB-CE2 4.4Å; H174-F208 AromaticContact CD2-CD2 3.58Å; H174-F208 AromaticContact CD2-CE2 3.63Å |
| 175 | V | 96.1 | Very high | 95.6 | Very high | 10 Ų | 10 | 34 Ų | 34 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | -179.4 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | A144 V145 T171 A172 L173 C177 Q178 N179 | A144-V175 HydrophobicContact CB-CB 4.25Å; A144-V175 HydrophobicContact CB-CG1 4.21Å; V145-V175 HydrophobicContact CB-CG1 4.14Å; V145-V175 HydrophobicContact CG2-CG1 3.39Å; T171-V175 PolarHBondContact O-N 3.45Å; A172-V175 PolarHBondContact O-N 3.08Å; L173-V175 VanDerWaalsContact C-N 3.34Å; L173-V175 PolarHBondContact O-N 3.38Å; V175-C177 VanDerWaalsContact C-N 3.35Å; V175-Q178 PolarHBondContact O-N 3.45Å; V175-N179 PolarHBondContact O-N 3.1Å; V175-N179 PolarHBondContact O-ND2 2.84Å |
| 176 | A | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A144 A172 L173 H174 G180 H181 T184 V185 L188 | A144-A176 HydrophobicContact CB-CB 4.2Å; A172-A176 WeakPolarHBondContact O-CB 3.45Å; A172-A176 PolarHBondContact O-N 3.18Å; L173-A176 PolarHBondContact O-N 3.22Å; H174-A176 PolarHBondContact O-N 2.78Å; A176-G180 PolarHBondContact O-N 3.26Å; A176-G180 VanDerWaalsContact O-N 3.11Å; A176-H181 PolarHBondContact O-N 3.08Å; A176-T184 HydrophobicContact CB-CG2 3.9Å; A176-V185 HydrophobicContact CB-CG2 3.77Å; A176-L188 HydrophobicContact CB-CD1 4.04Å |
| 177 | C | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.2 | -42 | 175.5 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | L173 H174 V175 N179 G180 P205 F208 A209 Q214 | L173-C177 WeakPolarHBondContact O-CB 3.41Å; L173-C177 PolarHBondContact O-N 3.48Å; L173-C177 PolarHBondContact O-SG 3.49Å; H174-C177 WeakPolarHBondContact O-CB 3.3Å; H174-C177 PolarHBondContact O-N 2.97Å; V175-C177 VanDerWaalsContact C-N 3.35Å; C177-N179 VanDerWaalsContact C-N 3.32Å; C177-N179 PolarHBondContact O-N 3.22Å; C177-G180 PolarHBondContact O-N 3.11Å; C177-P205 WeakPolarHBondContact CB-O 3.34Å; C177-F208 HydrophobicContact CB-CB 4.37Å; C177-A209 HydrophobicContact CB-CB 4.18Å; C177-Q214 WeakPolarHBondContact O-CG 3.37Å |
| 178 | Q | 95.9 | Very high | 95.9 | Very high | 56 Ų | 56 | 28.9 Ų | 28.9 | 26% | 0.262 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -58 | -43.5 | 175.9 | -177.3 | 174.6 | -8.1 | 0 | 0 | 112.3 | H174 V175 F208 H212 Q214 | H174-Q178 WeakPolarHBondContact O-CB 3.32Å; H174-Q178 PolarHBondContact O-N 2.99Å; V175-Q178 PolarHBondContact O-N 3.45Å; Q178-F208 HydrophobicContact CB-CB 4.26Å; Q178-F208 HydrophobicContact CB-CD1 4.06Å; Q178-F208 HydrophobicContact CG-CD1 4.29Å; Q178-H212 WeakPolarHBondContact CG-NE2 3.29Å; Q178-H212 PolarHBondContact NE2-NE2 3.11Å; Q178-H212 WeakPolarHBondContact O-CB 3.3Å; Q178-Q214 PolarHBondContact O-NE2 2.66Å |
| 179 | N | 94.8 | Very high | 96.1 | Very high | 67 Ų | 67 | 24.2 Ų | 24.2 | 36% | 0.358 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -1.3 | -176.1 | -68.4 | -78.5 | 0 | 0 | 0 | 114 | V175 C177 H181 | V175-N179 PolarHBondContact O-N 3.1Å; V175-N179 PolarHBondContact O-ND2 2.84Å; C177-N179 VanDerWaalsContact C-N 3.32Å; C177-N179 PolarHBondContact O-N 3.22Å; N179-H181 WeakPolarHBondContact CB-CD2 3.45Å; N179-H181 WeakPolarHBondContact CB-NE2 3.33Å; N179-H181 PolarHBondContact O-N 3.2Å |
| 180 | G | 95.3 | Very high | 96.1 | Very high | 20 Ų | 20 | 29.1 Ų | 29.1 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 16.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A176 C177 K182 | A176-G180 PolarHBondContact O-N 3.26Å; A176-G180 VanDerWaalsContact O-N 3.11Å; C177-G180 PolarHBondContact O-N 3.11Å; G180-K182 VanDerWaalsContact C-N 3.32Å; G180-K182 PolarHBondContact O-N 2.97Å |
| 181 | H | 96.6 | Very high | 95.9 | Very high | 52 Ų | 52 | 29.7 Ų | 29.7 | 24% | 0.241 | 16% | 0.162 | C | C | . | . | trans | -79.6 | 75.3 | -174.1 | -64.1 | -52.5 | 0 | 0 | 0 | 112.2 | A144 V145 G147 A176 N179 T183 T184 V185 | A144-H181 PolarHBondContact O-CD2 2.85Å; V145-H181 PolarHBondContact O-NE2 2.89Å; G147-H181 VanDerWaalsContact CA-CD2 3.48Å; G147-H181 WeakPolarHBondContact CA-CD2 3.39Å; G147-H181 PolarHBondContact N-CD2 3.08Å; G147-H181 VanDerWaalsContact N-CD2 3.33Å; G147-H181 PolarHBondContact N-NE2 3.39Å; A176-H181 PolarHBondContact O-N 3.08Å; N179-H181 WeakPolarHBondContact CB-CD2 3.45Å; N179-H181 WeakPolarHBondContact CB-NE2 3.33Å; N179-H181 PolarHBondContact O-N 3.2Å; H181-T183 VanDerWaalsContact C-N 3.31Å; H181-T183 PolarHBondContact O-N 3.13Å; H181-T183 VanDerWaalsContact O-N 3.16Å; H181-T184 WeakPolarHBondContact O-CA 3.43Å; H181-T184 VanDerWaalsContact O-CB 3.3Å; H181-T184 WeakPolarHBondContact O-CB 3.39Å; H181-T184 PolarHBondContact O-N 3.07Å; H181-V185 PolarHBondContact O-N 2.86Å | ||
| 182 | K | 95.7 | Very high | 95.7 | Very high | 96 Ų | 96 | 32.4 Ų | 32.4 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -53.5 | -38.2 | -172.8 | 66.8 | -176.8 | 173.7 | -171.3 | 0 | 115.7 | G180 V185 L186 D216 T217 I220 | G180-K182 VanDerWaalsContact C-N 3.32Å; G180-K182 PolarHBondContact O-N 2.97Å; K182-V185 PolarHBondContact O-N 3.18Å; K182-L186 WeakPolarHBondContact O-CG 3.34Å; K182-L186 PolarHBondContact O-N 3.18Å; K182-D216 HydrophobicContact CB-CB 4.34Å; K182-D216 HydrophobicContact CD-CB 3.89Å; K182-D216 WeakPolarHBondContact CD-OD2 3.5Å; K182-D216 IonicContact NZ-OD2 3.48Å; K182-D216 PolarHBondContact NZ-OD2 3.07Å; K182-T217 HydrophobicContact CB-CG2 4.25Å; K182-I220 HydrophobicContact CB-CD1 3.7Å |
| 183 | T | 96.4 | Very high | 95.7 | Very high | 80 Ų | 80 | 32.9 Ų | 32.9 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -72.4 | -34 | 178.7 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | T149 H181 C187 | T149-T183 WeakPolarHBondContact CG2-O 3.42Å; T149-T183 PolarHBondContact OG1-OG1 2.97Å; H181-T183 VanDerWaalsContact C-N 3.31Å; H181-T183 PolarHBondContact O-N 3.13Å; H181-T183 VanDerWaalsContact O-N 3.16Å; T183-C187 WeakPolarHBondContact O-CB 3.48Å; T183-C187 PolarHBondContact O-N 3.41Å |
| 184 | T | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.2 | -43.6 | 173.3 | -52 | 0 | 0 | 0 | 0 | 110.6 | A144 G147 T149 L152 A176 H181 L186 C187 L188 | A144-T184 HydrophobicContact CB-CG2 4.32Å; G147-T184 WeakPolarHBondContact CA-OG1 3.43Å; T149-T184 PolarHBondContact OG1-N 3.4Å; T149-T184 VanDerWaalsContact OG1-N 3.17Å; T149-T184 PolarHBondContact OG1-OG1 3.27Å; L152-T184 HydrophobicContact CD2-CG2 3.49Å; L152-T184 VanDerWaalsContact CD2-CG2 3.49Å; A176-T184 HydrophobicContact CB-CG2 3.9Å; H181-T184 WeakPolarHBondContact O-CA 3.43Å; H181-T184 VanDerWaalsContact O-CB 3.3Å; H181-T184 WeakPolarHBondContact O-CB 3.39Å; H181-T184 PolarHBondContact O-N 3.07Å; T184-L186 PolarHBondContact O-N 3.28Å; T184-C187 PolarHBondContact O-N 3.42Å; T184-L188 HydrophobicContact CG2-CD1 4.21Å; T184-L188 WeakPolarHBondContact O-CG 3.38Å; T184-L188 PolarHBondContact O-N 3.46Å |
| 185 | V | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.8 | -49.3 | 173.6 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | L173 A176 H181 K182 C187 L188 L189 T217 I220 L221 | L173-V185 HydrophobicContact CD1-CB 4.41Å; L173-V185 HydrophobicContact CD1-CG1 3.97Å; L173-V185 HydrophobicContact CD1-CG2 4.44Å; A176-V185 HydrophobicContact CB-CG2 3.77Å; H181-V185 PolarHBondContact O-N 2.86Å; K182-V185 PolarHBondContact O-N 3.18Å; V185-C187 PolarHBondContact O-N 2.87Å; V185-L188 PolarHBondContact O-N 3.25Å; V185-L189 HydrophobicContact CG1-CD1 3.88Å; V185-L189 HydrophobicContact CG1-CG 4.43Å; V185-L189 VanDerWaalsContact O-CG 3.26Å; V185-L189 WeakPolarHBondContact O-CG 3.37Å; V185-L189 PolarHBondContact O-N 3.18Å; V185-T217 HydrophobicContact CG2-CG2 4.04Å; V185-I220 HydrophobicContact CG1-CG2 4.11Å; V185-L221 HydrophobicContact CG1-CD2 4.34Å |
| 186 | L | 96.6 | Very high | 95.6 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 176 | -74.5 | 167.6 | 0 | 0 | 0 | 112 | K182 T184 L188 L189 D190 I220 | K182-L186 WeakPolarHBondContact O-CG 3.34Å; K182-L186 PolarHBondContact O-N 3.18Å; T184-L186 PolarHBondContact O-N 3.28Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-L188 PolarHBondContact O-N 3.48Å; L186-L189 PolarHBondContact O-N 3.28Å; L186-D190 WeakPolarHBondContact O-CB 3.49Å; L186-D190 PolarHBondContact O-N 2.7Å; L186-I220 HydrophobicContact CD1-CD1 4.13Å; L186-I220 HydrophobicContact CD2-CD1 4.42Å; L186-I220 HydrophobicContact CD2-CG1 4.45Å; L186-I220 HydrophobicContact CD2-CG2 3.58Å; L186-I220 HydrophobicContact CG-CD1 4.06Å; L186-I220 HydrophobicContact CG-CG2 4.09Å |
| 187 | C | 95.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 9% | 0.088 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 179.1 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | T149 L152 T183 T184 V185 S191 | T149-C187 HydrophobicContact CG2-CB 3.87Å; L152-C187 HydrophobicContact CD2-CB 4.03Å; T183-C187 WeakPolarHBondContact O-CB 3.48Å; T183-C187 PolarHBondContact O-N 3.41Å; T184-C187 PolarHBondContact O-N 3.42Å; V185-C187 PolarHBondContact O-N 2.87Å; C187-S191 VanDerWaalsContact O-CB 3.32Å; C187-S191 WeakPolarHBondContact O-CB 3.36Å; C187-S191 PolarHBondContact O-N 3.41Å; C187-S191 VanDerWaalsContact O-N 3.11Å; C187-S191 PolarHBondContact O-OG 3.01Å |
| 188 | L | 95.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 177.8 | -70.1 | 171.2 | 0 | 0 | 0 | 111.7 | I140 L152 A172 L173 A176 T184 V185 L186 S191 G192 A193 | I140-L188 HydrophobicContact CD1-CD2 3.81Å; I140-L188 HydrophobicContact CG1-CD2 4.26Å; L152-L188 HydrophobicContact CD1-CD2 4.01Å; L152-L188 HydrophobicContact CD2-CD1 4.5Å; L152-L188 HydrophobicContact CD2-CD2 3.77Å; L152-L188 HydrophobicContact CD2-CG 3.76Å; L152-L188 HydrophobicContact CG-CD2 4.4Å; A172-L188 HydrophobicContact CB-CD1 4.07Å; A172-L188 HydrophobicContact CB-CD2 4.26Å; A172-L188 WeakPolarHBondContact O-CD1 3.4Å; L173-L188 HydrophobicContact CB-CD1 4.21Å; L173-L188 HydrophobicContact CD1-CB 4.19Å; L173-L188 HydrophobicContact CD1-CD1 4.33Å; A176-L188 HydrophobicContact CB-CD1 4.04Å; T184-L188 HydrophobicContact CG2-CD1 4.21Å; T184-L188 WeakPolarHBondContact O-CG 3.38Å; T184-L188 PolarHBondContact O-N 3.46Å; V185-L188 PolarHBondContact O-N 3.25Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-L188 PolarHBondContact O-N 3.48Å; L188-S191 CarbonylContact O-C 3.27Å; L188-S191 PolarHBondContact O-N 2.97Å; L188-G192 PolarHBondContact O-N 3.49Å; L188-A193 HydrophobicContact CB-CB 4.17Å; L188-A193 VanDerWaalsContact O-CB 3.23Å; L188-A193 WeakPolarHBondContact O-CB 3.49Å; L188-A193 PolarHBondContact O-N 3.37Å; L188-A193 VanDerWaalsContact O-N 3.08Å |
| 189 | L | 95.6 | Very high | 95.4 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 11% | 0.11 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 177.4 | -68.2 | 173.9 | 0 | 0 | 0 | 112 | L173 V185 L186 S191 G192 I195 I220 L221 R224 | L173-L189 HydrophobicContact CD1-CD2 4.23Å; L173-L189 HydrophobicContact CD1-CG 4.2Å; L173-L189 HydrophobicContact CD2-CD2 3.73Å; V185-L189 HydrophobicContact CG1-CD1 3.88Å; V185-L189 HydrophobicContact CG1-CG 4.43Å; V185-L189 VanDerWaalsContact O-CG 3.26Å; V185-L189 WeakPolarHBondContact O-CG 3.37Å; V185-L189 PolarHBondContact O-N 3.18Å; L186-L189 PolarHBondContact O-N 3.28Å; L189-S191 PolarHBondContact O-N 3.08Å; L189-G192 PolarHBondContact O-N 3.03Å; L189-G192 VanDerWaalsContact O-N 3.1Å; L189-I195 HydrophobicContact CD1-CD1 4.42Å; L189-I195 HydrophobicContact CD2-CB 3.86Å; L189-I195 HydrophobicContact CD2-CD1 4.07Å; L189-I195 HydrophobicContact CD2-CG1 3.84Å; L189-I220 HydrophobicContact CD1-CG2 4.07Å; L189-L221 HydrophobicContact CD1-CD2 4.27Å; L189-R224 HydrophobicContact CD1-CB 4.4Å; L189-R224 HydrophobicContact CD1-CG 4.18Å |
| 190 | D | 94.3 | Very high | 95.4 | Very high | 107 Ų | 107 | 44.8 Ų | 44.8 | 57% | 0.572 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.3 | -22 | 177 | -66.3 | -15.7 | 0 | 0 | 0 | 111.9 | L186 G192 R224 | L186-D190 WeakPolarHBondContact O-CB 3.49Å; L186-D190 PolarHBondContact O-N 2.7Å; D190-G192 VanDerWaalsContact C-N 3.34Å; D190-R224 IonicContact OD1-CZ 2.77Å; D190-R224 VanDerWaalsContact OD1-CZ 3.25Å; D190-R224 IonicContact OD1-NH1 2.98Å; D190-R224 PolarHBondContact OD1-NH1 3.28Å; D190-R224 IonicContact OD1-NH2 2.72Å; D190-R224 PolarHBondContact OD1-NH2 3.5Å; D190-R224 IonicContact OD2-NH2 2.95Å |
| 191 | S | 92.5 | Very high | 95.3 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 9.3 | 175.7 | -53.1 | 0 | 0 | 0 | 0 | 113.9 | V156 C187 L188 L189 | V156-S191 VanDerWaalsContact CG1-CB 3.47Å; V156-S191 WeakPolarHBondContact CG1-OG 3.5Å; C187-S191 VanDerWaalsContact O-CB 3.32Å; C187-S191 WeakPolarHBondContact O-CB 3.36Å; C187-S191 PolarHBondContact O-N 3.41Å; C187-S191 VanDerWaalsContact O-N 3.11Å; C187-S191 PolarHBondContact O-OG 3.01Å; L188-S191 CarbonylContact O-C 3.27Å; L188-S191 PolarHBondContact O-N 2.97Å; L189-S191 PolarHBondContact O-N 3.08Å |
| 192 | G | 92.3 | Very high | 95.1 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 60% | 0.598 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | 16.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116 | L188 L189 D190 | L188-G192 PolarHBondContact O-N 3.49Å; L189-G192 PolarHBondContact O-N 3.03Å; L189-G192 VanDerWaalsContact O-N 3.1Å; D190-G192 VanDerWaalsContact C-N 3.34Å |
| 193 | A | 95.5 | Very high | 95.1 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | trans | -63.2 | 136.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | V162 D163 L173 L188 I195 | V162-A193 HydrophobicContact CG2-CB 3.76Å; D163-A193 WeakPolarHBondContact OD1-CA 3.44Å; L173-A193 HydrophobicContact CB-CB 4.49Å; L173-A193 HydrophobicContact CD2-CB 4.15Å; L188-A193 HydrophobicContact CB-CB 4.17Å; L188-A193 VanDerWaalsContact O-CB 3.23Å; L188-A193 WeakPolarHBondContact O-CB 3.49Å; L188-A193 PolarHBondContact O-N 3.37Å; L188-A193 VanDerWaalsContact O-N 3.08Å; A193-I195 PolarHBondContact O-N 3.11Å; A193-I195 VanDerWaalsContact O-N 3.14Å | ||
| 194 | D | 96 | Very high | 95.1 | Very high | 62 Ų | 62 | 36.4 Ų | 36.4 | 33% | 0.332 | 22% | 0.221 | S | C | . | . | trans | -71.2 | 107.4 | 177.3 | -179.7 | 1.6 | 0 | 0 | 0 | 111.1 | D163 N196 R197 | D163-D194 PolarHBondContact OD1-N 2.81Å; D163-D194 WeakPolarHBondContact OD2-CB 3.26Å; D163-D194 PolarHBondContact OD2-N 3.33Å; D194-N196 PolarHBondContact O-N 2.91Å; D194-N196 VanDerWaalsContact O-N 3.1Å; D194-N196 PolarHBondContact OD1-N 3.47Å; D194-R197 HydrophobicContact CB-CB 4.04Å; D194-R197 WeakPolarHBondContact O-CB 3.41Å; D194-R197 PolarHBondContact O-N 2.99Å | ||
| 195 | I | 96.6 | Very high | 95.2 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.9 | -178.3 | -162 | 169.8 | 0 | 0 | 0 | 114.3 | L189 A193 L221 R224 A226 | L189-I195 HydrophobicContact CD1-CD1 4.42Å; L189-I195 HydrophobicContact CD2-CB 3.86Å; L189-I195 HydrophobicContact CD2-CD1 4.07Å; L189-I195 HydrophobicContact CD2-CG1 3.84Å; A193-I195 PolarHBondContact O-N 3.11Å; A193-I195 VanDerWaalsContact O-N 3.14Å; I195-L221 HydrophobicContact CD1-CD2 4.02Å; I195-L221 WeakPolarHBondContact CD1-O 3.26Å; I195-L221 HydrophobicContact CG1-CD2 3.62Å; I195-R224 HydrophobicContact CD1-CB 3.6Å; I195-A226 HydrophobicContact CD1-CB 3.87Å; I195-A226 HydrophobicContact CG1-CB 3.92Å |
| 196 | N | 96 | Very high | 95.2 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 9.9 | -175.8 | -65.6 | -57.8 | 0 | 0 | 0 | 113.4 | D194 P198 K227 | D194-N196 PolarHBondContact O-N 2.91Å; D194-N196 VanDerWaalsContact O-N 3.1Å; D194-N196 PolarHBondContact OD1-N 3.47Å; N196-P198 VanDerWaalsContact O-CD 3.32Å; N196-P198 WeakPolarHBondContact O-CD 3.42Å; N196-K227 WeakPolarHBondContact OD1-CB 3.33Å; N196-K227 PolarHBondContact OD1-N 3.16Å |
| 197 | R | 95.2 | Very high | 95.2 | Very high | 96 Ų | 96 | 35.5 Ų | 35.5 | 36% | 0.362 | 21% | 0.214 | S | C | . | . | trans | -58.8 | 121 | -179 | -162.6 | 77.4 | 179 | -166.7 | -2.7 | 110.2 | E165 T171 H174 D194 P205 | E165-R197 IonicContact OE1-CZ 2.78Å; E165-R197 IonicContact OE1-NE 3.56Å; E165-R197 PolarHBondContact OE1-NE 3.03Å; E165-R197 VanDerWaalsContact OE1-NE 3.08Å; E165-R197 IonicContact OE1-NH2 3.73Å; E165-R197 PolarHBondContact OE1-NH2 2.73Å; T171-R197 HydrophobicContact CG2-CG 4.32Å; H174-R197 PolarHBondContact CE1-O 3.34Å; H174-R197 PolarHBondContact NE2-O 3.27Å; D194-R197 HydrophobicContact CB-CB 4.04Å; D194-R197 WeakPolarHBondContact O-CB 3.41Å; D194-R197 PolarHBondContact O-N 2.99Å; R197-P205 WeakPolarHBondContact O-CD 3.42Å | ||
| 198 | P | 95.4 | Very high | 95.2 | Very high | 69 Ų | 69 | 35.8 Ų | 35.8 | 45% | 0.448 | 21% | 0.214 | S | C | . | . | trans | -86.7 | 143.9 | 176.5 | 32.4 | -31.4 | 0 | 0 | 0 | 111.3 | N196 A203 | N196-P198 VanDerWaalsContact O-CD 3.32Å; N196-P198 WeakPolarHBondContact O-CD 3.42Å; P198-A203 WeakPolarHBondContact CA-O 3.46Å | ||
| 199 | N | 94.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 8% | 0.08 | 21% | 0.214 | C | C | . | . | trans | -77.5 | -173.3 | 169.1 | 79.4 | -11.1 | 0 | 0 | 0 | 112.2 | G169 Q170 S201 G202 A203 | G169-N199 WeakPolarHBondContact O-CA 3.48Å; G169-N199 WeakPolarHBondContact O-CB 3.36Å; Q170-N199 HydrophobicContact CG-CB 4.16Å; N199-S201 PolarHBondContact ND2-OG 3.01Å; N199-S201 PolarHBondContact O-N 3.27Å; N199-S201 WeakPolarHBondContact OD1-CA 3.38Å; N199-S201 PolarHBondContact OD1-N 3.38Å; N199-S201 PolarHBondContact OD1-OG 3.06Å; N199-G202 PolarHBondContact O-N 2.82Å; N199-G202 PolarHBondContact OD1-N 2.84Å; N199-G202 VanDerWaalsContact OD1-N 3.08Å; N199-A203 PolarHBondContact N-O 2.94Å; N199-A203 WeakPolarHBondContact OD1-CB 3.46Å; N199-A203 PolarHBondContact OD1-N 2.86Å; N199-A203 PolarHBondContact OD1-O 2.98Å | ||
| 200 | V | 94.8 | Very high | 95.3 | Very high | 92 Ų | 92 | 34.7 Ų | 34.7 | 56% | 0.558 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.7 | 179.3 | 174.3 | 0 | 0 | 0 | 0 | 113.1 | M168 K232 | M168-V200 VanDerWaalsContact C-CG2 3.5Å; M168-V200 WeakPolarHBondContact O-CB 3.44Å; M168-V200 VanDerWaalsContact O-CG2 3.3Å; M168-V200 WeakPolarHBondContact O-CG2 3.28Å; M168-V200 PolarHBondContact O-N 3.36Å; V200-K232 VanDerWaalsContact O-CE 3.28Å; V200-K232 WeakPolarHBondContact O-CE 3.45Å; V200-K232 PolarHBondContact O-NZ 2.88Å |
| 201 | S | 93.2 | Very high | 95.4 | Very high | 53 Ų | 53 | 30.9 Ų | 30.9 | 37% | 0.371 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 0.6 | 175.8 | 65.5 | 0 | 0 | 0 | 0 | 114 | N199 A203 K232 | N199-S201 PolarHBondContact ND2-OG 3.01Å; N199-S201 PolarHBondContact O-N 3.27Å; N199-S201 WeakPolarHBondContact OD1-CA 3.38Å; N199-S201 PolarHBondContact OD1-N 3.38Å; N199-S201 PolarHBondContact OD1-OG 3.06Å; S201-A203 VanDerWaalsContact C-N 3.31Å; S201-K232 VanDerWaalsContact O-CB 3.32Å; S201-K232 WeakPolarHBondContact O-CB 3.25Å; S201-K232 VanDerWaalsContact O-CG 3.25Å; S201-K232 WeakPolarHBondContact O-CG 3.32Å; S201-K232 PolarHBondContact O-N 2.82Å |
| 202 | G | 93.6 | Very high | 95.5 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 16% | 0.155 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 81.4 | 5.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N199 | N199-G202 PolarHBondContact O-N 2.82Å; N199-G202 PolarHBondContact OD1-N 2.84Å; N199-G202 VanDerWaalsContact OD1-N 3.08Å |
| 203 | A | 95.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | trans | -77.6 | 134.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | H174 P198 N199 S201 Y207 F208 | H174-A203 PolarHBondContact NE2-O 2.77Å; P198-A203 WeakPolarHBondContact CA-O 3.46Å; N199-A203 PolarHBondContact N-O 2.94Å; N199-A203 WeakPolarHBondContact OD1-CB 3.46Å; N199-A203 PolarHBondContact OD1-N 2.86Å; N199-A203 PolarHBondContact OD1-O 2.98Å; S201-A203 VanDerWaalsContact C-N 3.31Å; A203-Y207 HydrophobicContact CB-CD1 3.52Å; A203-Y207 HydrophobicContact CB-CD2 4.08Å; A203-Y207 HydrophobicContact CB-CE1 3.89Å; A203-Y207 HydrophobicContact CB-CE2 4.39Å; A203-Y207 HydrophobicContact CB-CG 3.64Å; A203-F208 HydrophobicContact CB-CD2 4.39Å; A203-F208 HydrophobicContact CB-CE2 3.81Å | ||
| 204 | T | 96.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | trans | -96.8 | 170.4 | 180 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | L206 Y207 F208 L229 | T204-L206 PolarHBondContact O-N 3.17Å; T204-Y207 WeakPolarHBondContact O-CA 3.32Å; T204-Y207 WeakPolarHBondContact O-CB 3.46Å; T204-Y207 PolarHBondContact O-N 2.7Å; T204-Y207 PolarHBondContact OG1-N 2.94Å; T204-F208 WeakPolarHBondContact O-CD2 3.19Å; T204-F208 PolarHBondContact O-N 3.07Å; T204-L229 HydrophobicContact CG2-CB 4.32Å; T204-L229 HydrophobicContact CG2-CD1 4.24Å | ||
| 205 | P | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56 | -35.5 | 173.2 | -28.5 | 36.4 | 0 | 0 | 0 | 113.9 | L173 C177 R197 Y207 F208 A209 L221 | L173-P205 HydrophobicContact CB-CG 4.49Å; L173-P205 HydrophobicContact CD2-CB 4.1Å; L173-P205 HydrophobicContact CD2-CG 3.76Å; L173-P205 HydrophobicContact CG-CB 3.92Å; L173-P205 HydrophobicContact CG-CG 3.91Å; C177-P205 WeakPolarHBondContact CB-O 3.34Å; R197-P205 WeakPolarHBondContact O-CD 3.42Å; P205-Y207 VanDerWaalsContact C-N 3.33Å; P205-Y207 PolarHBondContact O-N 2.86Å; P205-F208 PolarHBondContact O-N 3.2Å; P205-A209 PolarHBondContact O-N 3.38Å; P205-A209 VanDerWaalsContact O-N 3.07Å; P205-L221 HydrophobicContact CB-CD1 4.25Å; P205-L221 HydrophobicContact CB-CD2 4.3Å |
| 206 | L | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 174.7 | -177.1 | 63.8 | 0 | 0 | 0 | 111.8 | T204 F208 A209 C210 A218 L221 L222 A226 P237 | T204-L206 PolarHBondContact O-N 3.17Å; L206-F208 VanDerWaalsContact C-N 3.34Å; L206-F208 PolarHBondContact O-N 2.83Å; L206-A209 PolarHBondContact O-N 2.91Å; L206-C210 WeakPolarHBondContact O-CB 3.48Å; L206-C210 PolarHBondContact O-N 3.33Å; L206-C210 PolarHBondContact O-SG 3.25Å; L206-C210 VanDerWaalsContact O-SG 3.33Å; L206-A218 HydrophobicContact CD1-CB 4.11Å; L206-L221 HydrophobicContact CB-CD1 4.1Å; L206-L221 HydrophobicContact CD1-CB 4.27Å; L206-L221 HydrophobicContact CD1-CD1 4.18Å; L206-L222 HydrophobicContact CD1-CD2 4.33Å; L206-L222 HydrophobicContact CD1-CG 4.16Å; L206-L222 HydrophobicContact CD2-CD2 3.82Å; L206-A226 HydrophobicContact CD2-CB 4.42Å; L206-P237 HydrophobicContact CD2-CG 4.47Å |
| 207 | Y | 96.3 | Very high | 95.7 | Very high | 34 Ų | 34 | 33.9 Ų | 33.9 | 13% | 0.133 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 173.8 | -177.4 | -74.8 | 0 | 0 | 0 | 111.6 | A203 T204 P205 C210 S211 D231 I235 L240 | A203-Y207 HydrophobicContact CB-CD1 3.52Å; A203-Y207 HydrophobicContact CB-CD2 4.08Å; A203-Y207 HydrophobicContact CB-CE1 3.89Å; A203-Y207 HydrophobicContact CB-CE2 4.39Å; A203-Y207 HydrophobicContact CB-CG 3.64Å; T204-Y207 WeakPolarHBondContact O-CA 3.32Å; T204-Y207 WeakPolarHBondContact O-CB 3.46Å; T204-Y207 PolarHBondContact O-N 2.7Å; T204-Y207 PolarHBondContact OG1-N 2.94Å; P205-Y207 VanDerWaalsContact C-N 3.33Å; P205-Y207 PolarHBondContact O-N 2.86Å; Y207-C210 PolarHBondContact O-N 2.98Å; Y207-S211 WeakPolarHBondContact O-CB 3.32Å; Y207-S211 PolarHBondContact O-N 3.02Å; Y207-S211 PolarHBondContact O-OG 3.26Å; Y207-D231 HydrophobicContact CD2-CB 4.21Å; Y207-D231 HydrophobicContact CE2-CB 3.67Å; Y207-D231 PolarHBondContact OH-OD2 2.93Å; Y207-I235 HydrophobicContact CE2-CB 4.49Å; Y207-I235 HydrophobicContact CE2-CG2 4.42Å; Y207-L240 HydrophobicContact CD1-CD1 3.62Å; Y207-L240 HydrophobicContact CD2-CD1 3.4Å; Y207-L240 HydrophobicContact CE1-CD1 3.6Å; Y207-L240 HydrophobicContact CE1-CD2 4.3Å; Y207-L240 HydrophobicContact CE2-CD1 3.38Å; Y207-L240 HydrophobicContact CE2-CD2 4.29Å; Y207-L240 HydrophobicContact CE2-CG 4.19Å; Y207-L240 HydrophobicContact CG-CD1 3.51Å; Y207-L240 VanDerWaalsContact CZ-CD1 3.49Å |
| 208 | F | 95.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 8% | 0.079 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 178.9 | -80.6 | -90.4 | 0 | 0 | 0 | 112.8 | Q170 H174 C177 Q178 A203 T204 P205 L206 C210 S211 H212 | Q170-F208 HydrophobicContact CG-CZ 4.22Å; H174-F208 HydrophobicContact CB-CD2 4.19Å; H174-F208 HydrophobicContact CB-CE2 4.4Å; H174-F208 AromaticContact CD2-CD2 3.58Å; H174-F208 AromaticContact CD2-CE2 3.63Å; C177-F208 HydrophobicContact CB-CB 4.37Å; Q178-F208 HydrophobicContact CB-CB 4.26Å; Q178-F208 HydrophobicContact CB-CD1 4.06Å; Q178-F208 HydrophobicContact CG-CD1 4.29Å; A203-F208 HydrophobicContact CB-CD2 4.39Å; A203-F208 HydrophobicContact CB-CE2 3.81Å; T204-F208 WeakPolarHBondContact O-CD2 3.19Å; T204-F208 PolarHBondContact O-N 3.07Å; P205-F208 PolarHBondContact O-N 3.2Å; L206-F208 VanDerWaalsContact C-N 3.34Å; L206-F208 PolarHBondContact O-N 2.83Å; F208-C210 VanDerWaalsContact C-N 3.33Å; F208-C210 PolarHBondContact O-N 3.08Å; F208-S211 WeakPolarHBondContact CA-OG 3.14Å; F208-S211 PolarHBondContact O-OG 3.1Å; F208-H212 PolarHBondContact O-N 2.97Å; F208-H212 PolarHBondContact O-ND1 3.28Å |
| 209 | A | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C177 P205 L206 G213 Q214 T217 A218 L221 | C177-A209 HydrophobicContact CB-CB 4.18Å; P205-A209 PolarHBondContact O-N 3.38Å; P205-A209 VanDerWaalsContact O-N 3.07Å; L206-A209 PolarHBondContact O-N 2.91Å; A209-G213 PolarHBondContact O-N 3.19Å; A209-Q214 HydrophobicContact CB-CB 4.39Å; A209-Q214 PolarHBondContact O-N 2.96Å; A209-T217 VanDerWaalsContact CB-OG1 3.29Å; A209-T217 WeakPolarHBondContact CB-OG1 3.45Å; A209-A218 HydrophobicContact CB-CB 4.16Å; A209-L221 HydrophobicContact CB-CD1 4.19Å |
| 210 | C | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70 | -41.7 | -179.5 | -73.3 | 0 | 0 | 0 | 0 | 113.6 | L206 Y207 F208 H212 G213 P237 C241 Y246 | L206-C210 WeakPolarHBondContact O-CB 3.48Å; L206-C210 PolarHBondContact O-N 3.33Å; L206-C210 PolarHBondContact O-SG 3.25Å; L206-C210 VanDerWaalsContact O-SG 3.33Å; Y207-C210 PolarHBondContact O-N 2.98Å; F208-C210 VanDerWaalsContact C-N 3.33Å; F208-C210 PolarHBondContact O-N 3.08Å; C210-H212 PolarHBondContact O-N 3.14Å; C210-G213 PolarHBondContact O-N 3.21Å; C210-P237 HydrophobicContact CB-CB 3.96Å; C210-P237 WeakPolarHBondContact CB-O 3.49Å; C210-C241 WeakPolarHBondContact CB-SG 3.36Å; C210-C241 VanDerWaalsContact SG-SG 3.65Å; C210-Y246 VanDerWaalsContact O-CD2 3.28Å; C210-Y246 WeakPolarHBondContact O-CD2 3.35Å |
| 211 | S | 95.7 | Very high | 96 | Very high | 27 Ų | 27 | 25 Ų | 25 | 19% | 0.189 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.1 | -14.6 | 177.9 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | Y207 F208 Y246 | Y207-S211 WeakPolarHBondContact O-CB 3.32Å; Y207-S211 PolarHBondContact O-N 3.02Å; Y207-S211 PolarHBondContact O-OG 3.26Å; F208-S211 WeakPolarHBondContact CA-OG 3.14Å; F208-S211 PolarHBondContact O-OG 3.1Å; S211-Y246 WeakPolarHBondContact O-CE2 3.32Å |
| 212 | H | 94.9 | Very high | 96.1 | Very high | 75 Ų | 75 | 23 Ų | 23 | 35% | 0.347 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 10.2 | 178.3 | -65.6 | 69 | 0 | 0 | 0 | 112.5 | Q178 F208 C210 Q214 | Q178-H212 WeakPolarHBondContact CG-NE2 3.29Å; Q178-H212 PolarHBondContact NE2-NE2 3.11Å; Q178-H212 WeakPolarHBondContact O-CB 3.3Å; F208-H212 PolarHBondContact O-N 2.97Å; F208-H212 PolarHBondContact O-ND1 3.28Å; C210-H212 PolarHBondContact O-N 3.14Å; H212-Q214 VanDerWaalsContact C-N 3.33Å; H212-Q214 HydrophobicContact CB-CG 3.93Å; H212-Q214 PolarHBondContact O-N 3.19Å |
| 213 | G | 94.9 | Very high | 96.2 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 21% | 0.206 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 26.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115.3 | A209 C210 R215 Y246 T249 | A209-G213 PolarHBondContact O-N 3.19Å; C210-G213 PolarHBondContact O-N 3.21Å; G213-R215 VanDerWaalsContact C-N 3.35Å; G213-R215 PolarHBondContact O-N 3.39Å; G213-Y246 VanDerWaalsContact CA-CD2 3.4Å; G213-Y246 VanDerWaalsContact N-CD2 3.31Å; G213-Y246 VanDerWaalsContact N-CE2 3.31Å; G213-T249 PolarHBondContact O-OG1 3.3Å |
| 214 | Q | 96.6 | Very high | 96.2 | Very high | 57 Ų | 57 | 31.1 Ų | 31.1 | 27% | 0.266 | 16% | 0.155 | S | C | . | . | trans | -85.1 | 71.2 | -170.8 | -56.9 | -66.8 | -0.5 | 0 | 0 | 112.1 | C177 Q178 A209 H212 D216 T217 A218 | C177-Q214 WeakPolarHBondContact O-CG 3.37Å; Q178-Q214 PolarHBondContact O-NE2 2.66Å; A209-Q214 HydrophobicContact CB-CB 4.39Å; A209-Q214 PolarHBondContact O-N 2.96Å; H212-Q214 VanDerWaalsContact C-N 3.33Å; H212-Q214 HydrophobicContact CB-CG 3.93Å; H212-Q214 PolarHBondContact O-N 3.19Å; Q214-D216 PolarHBondContact O-N 3.03Å; Q214-T217 HydrophobicContact CB-CG2 4.39Å; Q214-T217 WeakPolarHBondContact CB-OG1 3.35Å; Q214-T217 PolarHBondContact O-N 3.36Å; Q214-T217 PolarHBondContact O-OG1 2.84Å; Q214-A218 PolarHBondContact O-N 3.07Å | ||
| 215 | R | 95.4 | Very high | 96 | Very high | 82 Ų | 82 | 33.3 Ų | 33.3 | 31% | 0.309 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -45.5 | -54.2 | -173.7 | -176.1 | -174.5 | 62.6 | 62.3 | 10.1 | 114.4 | G213 T217 A218 Q219 E248 T249 I252 | G213-R215 VanDerWaalsContact C-N 3.35Å; G213-R215 PolarHBondContact O-N 3.39Å; R215-T217 VanDerWaalsContact C-N 3.3Å; R215-T217 PolarHBondContact O-N 3.48Å; R215-A218 PolarHBondContact O-N 2.76Å; R215-Q219 WeakPolarHBondContact O-CB 3.27Å; R215-Q219 PolarHBondContact O-N 3.06Å; R215-E248 HydrophobicContact CB-CB 4.41Å; R215-E248 VanDerWaalsContact CD-CB 3.48Å; R215-E248 VanDerWaalsContact CD-OE2 3.29Å; R215-E248 WeakPolarHBondContact CD-OE2 3.3Å; R215-E248 HydrophobicContact CG-CB 4.21Å; R215-E248 IonicContact NE-OE2 2.73Å; R215-E248 PolarHBondContact NE-OE2 2.9Å; R215-T249 WeakPolarHBondContact CA-OG1 3.41Å; R215-T249 PolarHBondContact N-OG1 3.27Å; R215-I252 HydrophobicContact CG-CG1 3.64Å |
| 216 | D | 96.4 | Very high | 95.9 | Very high | 52 Ų | 52 | 33.7 Ų | 33.7 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.3 | -39.6 | -176.4 | -81.9 | -14.8 | 0 | 0 | 0 | 111.6 | K182 Q214 I220 | K182-D216 HydrophobicContact CB-CB 4.34Å; K182-D216 HydrophobicContact CD-CB 3.89Å; K182-D216 WeakPolarHBondContact CD-OD2 3.5Å; K182-D216 IonicContact NZ-OD2 3.48Å; K182-D216 PolarHBondContact NZ-OD2 3.07Å; Q214-D216 PolarHBondContact O-N 3.03Å; D216-I220 WeakPolarHBondContact O-CD1 3.23Å; D216-I220 VanDerWaalsContact O-CG1 3.29Å; D216-I220 WeakPolarHBondContact O-CG1 3.32Å; D216-I220 PolarHBondContact O-N 3.09Å |
| 217 | T | 97 | Very high | 95.7 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71 | -41.1 | 178.8 | 66.6 | 0 | 0 | 0 | 0 | 111.8 | K182 V185 A209 Q214 R215 Q219 I220 L221 | K182-T217 HydrophobicContact CB-CG2 4.25Å; V185-T217 HydrophobicContact CG2-CG2 4.04Å; A209-T217 VanDerWaalsContact CB-OG1 3.29Å; A209-T217 WeakPolarHBondContact CB-OG1 3.45Å; Q214-T217 HydrophobicContact CB-CG2 4.39Å; Q214-T217 WeakPolarHBondContact CB-OG1 3.35Å; Q214-T217 PolarHBondContact O-N 3.36Å; Q214-T217 PolarHBondContact O-OG1 2.84Å; R215-T217 VanDerWaalsContact C-N 3.3Å; R215-T217 PolarHBondContact O-N 3.48Å; T217-Q219 VanDerWaalsContact C-N 3.33Å; T217-Q219 PolarHBondContact O-N 3.46Å; T217-I220 PolarHBondContact O-N 3.27Å; T217-L221 VanDerWaalsContact O-CG 3.3Å; T217-L221 WeakPolarHBondContact O-CG 3.34Å; T217-L221 PolarHBondContact O-N 3.49Å |
| 218 | A | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L206 A209 Q214 R215 I220 L221 L222 T249 | L206-A218 HydrophobicContact CD1-CB 4.11Å; A209-A218 HydrophobicContact CB-CB 4.16Å; Q214-A218 PolarHBondContact O-N 3.07Å; R215-A218 PolarHBondContact O-N 2.76Å; A218-I220 PolarHBondContact O-N 2.86Å; A218-L221 PolarHBondContact O-N 3.06Å; A218-L222 VanDerWaalsContact O-CG 3.3Å; A218-L222 WeakPolarHBondContact O-CG 3.24Å; A218-L222 PolarHBondContact O-N 3.43Å; A218-T249 HydrophobicContact CB-CG2 3.92Å |
| 219 | Q | 96.6 | Very high | 95.4 | Very high | 61 Ų | 61 | 43.6 Ų | 43.6 | 29% | 0.285 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 176 | 178.7 | 61.5 | 13.5 | 0 | 0 | 112 | R215 T217 S223 I252 H256 | R215-Q219 WeakPolarHBondContact O-CB 3.27Å; R215-Q219 PolarHBondContact O-N 3.06Å; T217-Q219 VanDerWaalsContact C-N 3.33Å; T217-Q219 PolarHBondContact O-N 3.46Å; Q219-S223 VanDerWaalsContact O-CB 3.29Å; Q219-S223 WeakPolarHBondContact O-CB 3.45Å; Q219-S223 PolarHBondContact O-N 3.28Å; Q219-S223 PolarHBondContact O-OG 3.32Å; Q219-I252 HydrophobicContact CB-CG1 4.5Å; Q219-I252 HydrophobicContact CB-CG2 4.05Å; Q219-H256 PolarHBondContact OE1-NE2 3.29Å |
| 220 | I | 96.8 | Very high | 95.1 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.128 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 176.8 | -71.6 | 161.6 | 0 | 0 | 0 | 110.2 | K182 V185 L186 L189 D216 T217 A218 L222 S223 R224 | K182-I220 HydrophobicContact CB-CD1 3.7Å; V185-I220 HydrophobicContact CG1-CG2 4.11Å; L186-I220 HydrophobicContact CD1-CD1 4.13Å; L186-I220 HydrophobicContact CD2-CD1 4.42Å; L186-I220 HydrophobicContact CD2-CG1 4.45Å; L186-I220 HydrophobicContact CD2-CG2 3.58Å; L186-I220 HydrophobicContact CG-CD1 4.06Å; L186-I220 HydrophobicContact CG-CG2 4.09Å; L189-I220 HydrophobicContact CD1-CG2 4.07Å; D216-I220 WeakPolarHBondContact O-CD1 3.23Å; D216-I220 VanDerWaalsContact O-CG1 3.29Å; D216-I220 WeakPolarHBondContact O-CG1 3.32Å; D216-I220 PolarHBondContact O-N 3.09Å; T217-I220 PolarHBondContact O-N 3.27Å; A218-I220 PolarHBondContact O-N 2.86Å; I220-L222 PolarHBondContact O-N 3.18Å; I220-S223 WeakPolarHBondContact CA-OG 3.42Å; I220-S223 PolarHBondContact O-N 3.37Å; I220-S223 PolarHBondContact O-OG 2.78Å; I220-R224 HydrophobicContact CG2-CG 4.42Å; I220-R224 WeakPolarHBondContact O-CB 3.29Å; I220-R224 WeakPolarHBondContact O-CG 3.5Å; I220-R224 PolarHBondContact O-N 3.26Å |
| 221 | L | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.2 | -49.7 | 179.8 | -72.5 | 173.2 | 0 | 0 | 0 | 111.9 | V185 L189 I195 P205 L206 A209 T217 A218 S223 R224 G225 A226 | V185-L221 HydrophobicContact CG1-CD2 4.34Å; L189-L221 HydrophobicContact CD1-CD2 4.27Å; I195-L221 HydrophobicContact CD1-CD2 4.02Å; I195-L221 WeakPolarHBondContact CD1-O 3.26Å; I195-L221 HydrophobicContact CG1-CD2 3.62Å; P205-L221 HydrophobicContact CB-CD1 4.25Å; P205-L221 HydrophobicContact CB-CD2 4.3Å; L206-L221 HydrophobicContact CB-CD1 4.1Å; L206-L221 HydrophobicContact CD1-CB 4.27Å; L206-L221 HydrophobicContact CD1-CD1 4.18Å; A209-L221 HydrophobicContact CB-CD1 4.19Å; T217-L221 VanDerWaalsContact O-CG 3.3Å; T217-L221 WeakPolarHBondContact O-CG 3.34Å; T217-L221 PolarHBondContact O-N 3.49Å; A218-L221 PolarHBondContact O-N 3.06Å; L221-S223 PolarHBondContact O-N 2.94Å; L221-R224 CarbonylContact O-C 3.47Å; L221-R224 PolarHBondContact O-N 3.01Å; L221-R224 VanDerWaalsContact O-N 3.15Å; L221-G225 PolarHBondContact O-N 2.85Å; L221-A226 VanDerWaalsContact C-CB 3.5Å; L221-A226 HydrophobicContact CB-CB 3.84Å; L221-A226 WeakPolarHBondContact O-CB 3.39Å; L221-A226 PolarHBondContact O-N 3.47Å |
| 222 | L | 95.7 | Very high | 94.8 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 178.7 | -67.7 | 166 | 0 | 0 | 0 | 111.5 | L206 A218 I220 R224 G225 I252 L253 H256 | L206-L222 HydrophobicContact CD1-CD2 4.33Å; L206-L222 HydrophobicContact CD1-CG 4.16Å; L206-L222 HydrophobicContact CD2-CD2 3.82Å; A218-L222 VanDerWaalsContact O-CG 3.3Å; A218-L222 WeakPolarHBondContact O-CG 3.24Å; A218-L222 PolarHBondContact O-N 3.43Å; I220-L222 PolarHBondContact O-N 3.18Å; L222-R224 PolarHBondContact O-N 3.3Å; L222-G225 PolarHBondContact O-N 3.46Å; L222-I252 HydrophobicContact CD1-CG2 3.59Å; L222-L253 HydrophobicContact CD1-CD2 4Å; L222-L253 HydrophobicContact CD2-CD2 4.49Å; L222-H256 HydrophobicContact CD1-CB 4.29Å |
| 223 | S | 95 | Very high | 94.6 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 52% | 0.517 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.2 | -26.8 | 176.9 | 75 | 0 | 0 | 0 | 0 | 113.6 | Q219 I220 L221 | Q219-S223 VanDerWaalsContact O-CB 3.29Å; Q219-S223 WeakPolarHBondContact O-CB 3.45Å; Q219-S223 PolarHBondContact O-N 3.28Å; Q219-S223 PolarHBondContact O-OG 3.32Å; I220-S223 WeakPolarHBondContact CA-OG 3.42Å; I220-S223 PolarHBondContact O-N 3.37Å; I220-S223 PolarHBondContact O-OG 2.78Å; L221-S223 PolarHBondContact O-N 2.94Å |
| 224 | R | 94.8 | Very high | 94.4 | Very high | 112 Ų | 112 | 56.5 Ų | 56.5 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 8.8 | 176.6 | -66.3 | -68.9 | -168 | 95.6 | -2.5 | 113 | L189 D190 I195 I220 L221 L222 | L189-R224 HydrophobicContact CD1-CB 4.4Å; L189-R224 HydrophobicContact CD1-CG 4.18Å; D190-R224 IonicContact OD1-CZ 2.77Å; D190-R224 VanDerWaalsContact OD1-CZ 3.25Å; D190-R224 IonicContact OD1-NH1 2.98Å; D190-R224 PolarHBondContact OD1-NH1 3.28Å; D190-R224 IonicContact OD1-NH2 2.72Å; D190-R224 PolarHBondContact OD1-NH2 3.5Å; D190-R224 IonicContact OD2-NH2 2.95Å; I195-R224 HydrophobicContact CD1-CB 3.6Å; I220-R224 HydrophobicContact CG2-CG 4.42Å; I220-R224 WeakPolarHBondContact O-CB 3.29Å; I220-R224 WeakPolarHBondContact O-CG 3.5Å; I220-R224 PolarHBondContact O-N 3.26Å; L221-R224 CarbonylContact O-C 3.47Å; L221-R224 PolarHBondContact O-N 3.01Å; L221-R224 VanDerWaalsContact O-N 3.15Å; L222-R224 PolarHBondContact O-N 3.3Å |
| 225 | G | 92.6 | Very high | 94.2 | Very high | 48 Ų | 48 | 56.1 Ų | 56.1 | 50% | 0.495 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 25.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L221 L222 K227 | L221-G225 PolarHBondContact O-N 2.85Å; L222-G225 PolarHBondContact O-N 3.46Å; G225-K227 PolarHBondContact O-N 2.73Å |
| 226 | A | 94.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 7% | 0.074 | 29% | 0.292 | C | S | . | . | trans | -59.2 | 135.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I195 L206 L221 | I195-A226 HydrophobicContact CD1-CB 3.87Å; I195-A226 HydrophobicContact CG1-CB 3.92Å; L206-A226 HydrophobicContact CD2-CB 4.42Å; L221-A226 VanDerWaalsContact C-CB 3.5Å; L221-A226 HydrophobicContact CB-CB 3.84Å; L221-A226 WeakPolarHBondContact O-CB 3.39Å; L221-A226 PolarHBondContact O-N 3.47Å | ||
| 227 | K | 93.8 | Very high | 94 | Very high | 130 Ų | 130 | 50.7 Ų | 50.7 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | trans | -83.3 | 137.9 | 177.9 | -65.1 | 178 | -177.8 | 175.8 | 0 | 109.8 | N196 G225 L229 | N196-K227 WeakPolarHBondContact OD1-CB 3.33Å; N196-K227 PolarHBondContact OD1-N 3.16Å; G225-K227 PolarHBondContact O-N 2.73Å; K227-L229 HydrophobicContact CB-CD1 4.06Å; K227-L229 HydrophobicContact CB-CD2 4.34Å; K227-L229 HydrophobicContact CB-CG 3.84Å; K227-L229 PolarHBondContact O-N 2.99Å; K227-L229 VanDerWaalsContact O-N 3.13Å | ||
| 228 | Y | 92.8 | Very high | 93.9 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 22% | 0.216 | 28% | 0.278 | C | S | . | . | trans | -74.6 | 97.4 | 168.8 | -173.2 | -92.2 | 0 | 0 | 0 | 109.7 | T236 P237 L238 L253 L260 | Y228-T236 HydrophobicContact CE1-CG2 4.3Å; Y228-T236 WeakPolarHBondContact OH-CB 3.28Å; Y228-T236 PolarHBondContact OH-OG1 2.82Å; Y228-P237 HydrophobicContact CD2-CB 4.34Å; Y228-P237 HydrophobicContact CD2-CG 4.1Å; Y228-P237 HydrophobicContact CE2-CB 3.93Å; Y228-P237 HydrophobicContact CE2-CG 3.98Å; Y228-L238 HydrophobicContact CE2-CB 4.45Å; Y228-L238 WeakPolarHBondContact OH-CB 3.44Å; Y228-L238 PolarHBondContact OH-N 2.62Å; Y228-L253 HydrophobicContact CD2-CD2 4.35Å; Y228-L253 HydrophobicContact CE2-CD2 4.4Å; Y228-L260 HydrophobicContact CD2-CD1 4.11Å; Y228-L260 HydrophobicContact CE1-CD2 3.96Å; Y228-L260 HydrophobicContact CE2-CD1 3.68Å; Y228-L260 HydrophobicContact CE2-CD2 4.11Å | ||
| 229 | L | 92.6 | Very high | 93.7 | Very high | 75 Ų | 75 | 52.4 Ų | 52.4 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | trans | -123.2 | 143.3 | -177.9 | -62.4 | 176.2 | 0 | 0 | 0 | 110.6 | T204 K227 P237 | T204-L229 HydrophobicContact CG2-CB 4.32Å; T204-L229 HydrophobicContact CG2-CD1 4.24Å; K227-L229 HydrophobicContact CB-CD1 4.06Å; K227-L229 HydrophobicContact CB-CD2 4.34Å; K227-L229 HydrophobicContact CB-CG 3.84Å; K227-L229 PolarHBondContact O-N 2.99Å; K227-L229 VanDerWaalsContact O-N 3.13Å; L229-P237 VanDerWaalsContact O-CD 3.3Å; L229-P237 WeakPolarHBondContact O-CD 3.44Å | ||
| 230 | A | 91.9 | Very high | 93.6 | Very high | 43 Ų | 43 | 50.2 Ų | 50.2 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | trans | -84.6 | 158.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I235 T236 | A230-I235 VanDerWaalsContact CA-O 3.3Å; A230-I235 WeakPolarHBondContact CA-O 3.5Å; A230-T236 HydrophobicContact CB-CG2 4.1Å | ||
| 231 | D | 92.7 | Very high | 93.4 | Very high | 14 Ų | 14 | 49 Ų | 49 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | trans | -73.8 | -178.3 | 169.9 | 74.1 | 6 | 0 | 0 | 0 | 112.4 | Y207 N233 G234 I235 | Y207-D231 HydrophobicContact CD2-CB 4.21Å; Y207-D231 HydrophobicContact CE2-CB 3.67Å; Y207-D231 PolarHBondContact OH-OD2 2.93Å; D231-N233 PolarHBondContact O-N 2.99Å; D231-N233 WeakPolarHBondContact OD1-CA 3.48Å; D231-N233 WeakPolarHBondContact OD1-CB 3.5Å; D231-N233 PolarHBondContact OD1-N 3.07Å; D231-G234 PolarHBondContact O-N 3.37Å; D231-G234 PolarHBondContact OD1-N 3.31Å; D231-I235 PolarHBondContact N-O 3.25Å; D231-I235 PolarHBondContact OD1-N 3.23Å | ||
| 232 | K | 92.6 | Very high | 93.2 | Very high | 153 Ų | 153 | 49 Ų | 49 | 67% | 0.665 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.9 | 178.2 | -74.3 | 177.5 | -179.8 | -179.6 | 0 | 114.1 | V200 S201 G234 | V200-K232 VanDerWaalsContact O-CE 3.28Å; V200-K232 WeakPolarHBondContact O-CE 3.45Å; V200-K232 PolarHBondContact O-NZ 2.88Å; S201-K232 VanDerWaalsContact O-CB 3.32Å; S201-K232 WeakPolarHBondContact O-CB 3.25Å; S201-K232 VanDerWaalsContact O-CG 3.25Å; S201-K232 WeakPolarHBondContact O-CG 3.32Å; S201-K232 PolarHBondContact O-N 2.82Å; K232-G234 VanDerWaalsContact C-N 3.34Å |
| 233 | N | 90.9 | Very high | 93 | Very high | 136 Ų | 136 | 53.4 Ų | 53.4 | 73% | 0.727 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -0.4 | 177.7 | -61.2 | -31 | 0 | 0 | 0 | 112.2 | D231 I235 | D231-N233 PolarHBondContact O-N 2.99Å; D231-N233 WeakPolarHBondContact OD1-CA 3.48Å; D231-N233 WeakPolarHBondContact OD1-CB 3.5Å; D231-N233 PolarHBondContact OD1-N 3.07Å; N233-I235 VanDerWaalsContact C-N 3.33Å; N233-I235 HydrophobicContact CB-CD1 4.39Å; N233-I235 HydrophobicContact CB-CG1 4.24Å |
| 234 | G | 91.2 | Very high | 92.7 | Very high | 48 Ų | 48 | 51.2 Ų | 51.2 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | trans | 81.3 | 9.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | D231 K232 T236 | D231-G234 PolarHBondContact O-N 3.37Å; D231-G234 PolarHBondContact OD1-N 3.31Å; K232-G234 VanDerWaalsContact C-N 3.34Å; G234-T236 PolarHBondContact O-N 3.44Å | ||
| 235 | I | 92.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 46.5 Ų | 46.5 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | trans | -76.4 | 123 | 177.5 | -56.7 | 176.1 | 0 | 0 | 0 | 108.7 | Y207 A230 D231 N233 D239 L240 | Y207-I235 HydrophobicContact CE2-CB 4.49Å; Y207-I235 HydrophobicContact CE2-CG2 4.42Å; A230-I235 VanDerWaalsContact CA-O 3.3Å; A230-I235 WeakPolarHBondContact CA-O 3.5Å; D231-I235 PolarHBondContact N-O 3.25Å; D231-I235 PolarHBondContact OD1-N 3.23Å; N233-I235 VanDerWaalsContact C-N 3.33Å; N233-I235 HydrophobicContact CB-CD1 4.39Å; N233-I235 HydrophobicContact CB-CG1 4.24Å; I235-D239 HydrophobicContact CG2-CB 3.92Å; I235-L240 HydrophobicContact CG2-CD2 3.78Å; I235-L240 HydrophobicContact CG2-CG 3.96Å | ||
| 236 | T | 93.1 | Very high | 92.7 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 12% | 0.117 | 26% | 0.259 | C | S | . | . | trans | -92.5 | 159.7 | -178.2 | 73.2 | 0 | 0 | 0 | 0 | 112.2 | Y228 A230 G234 L238 D239 L240 | Y228-T236 HydrophobicContact CE1-CG2 4.3Å; Y228-T236 WeakPolarHBondContact OH-CB 3.28Å; Y228-T236 PolarHBondContact OH-OG1 2.82Å; A230-T236 HydrophobicContact CB-CG2 4.1Å; G234-T236 PolarHBondContact O-N 3.44Å; T236-L238 PolarHBondContact O-N 3.18Å; T236-D239 WeakPolarHBondContact CA-OD2 3.41Å; T236-D239 VanDerWaalsContact CB-OD2 3.27Å; T236-D239 WeakPolarHBondContact CB-OD2 3.39Å; T236-D239 WeakPolarHBondContact CG2-OD2 3.3Å; T236-D239 PolarHBondContact N-OD2 3.09Å; T236-D239 WeakPolarHBondContact O-CB 3.3Å; T236-D239 PolarHBondContact O-N 2.85Å; T236-D239 VanDerWaalsContact OG1-CG 3.23Å; T236-D239 PolarHBondContact OG1-N 3.04Å; T236-D239 PolarHBondContact OG1-OD2 3.02Å; T236-L240 PolarHBondContact O-N 3.21Å | ||
| 237 | P | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.5 | -29.6 | 174.5 | -26.3 | 34.5 | 0 | 0 | 0 | 113.8 | L206 C210 Y228 L229 C241 L253 | L206-P237 HydrophobicContact CD2-CG 4.47Å; C210-P237 HydrophobicContact CB-CB 3.96Å; C210-P237 WeakPolarHBondContact CB-O 3.49Å; Y228-P237 HydrophobicContact CD2-CB 4.34Å; Y228-P237 HydrophobicContact CD2-CG 4.1Å; Y228-P237 HydrophobicContact CE2-CB 3.93Å; Y228-P237 HydrophobicContact CE2-CG 3.98Å; L229-P237 VanDerWaalsContact O-CD 3.3Å; L229-P237 WeakPolarHBondContact O-CD 3.44Å; P237-C241 PolarHBondContact O-N 2.96Å; P237-C241 PolarHBondContact O-SG 3.46Å; P237-L253 HydrophobicContact CB-CD1 4.37Å |
| 238 | L | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.9 | -42.7 | 173.7 | -176.8 | 65.7 | 0 | 0 | 0 | 111.6 | Y228 T236 L240 C241 V242 C250 L253 L260 M263 M267 | Y228-L238 HydrophobicContact CE2-CB 4.45Å; Y228-L238 WeakPolarHBondContact OH-CB 3.44Å; Y228-L238 PolarHBondContact OH-N 2.62Å; T236-L238 PolarHBondContact O-N 3.18Å; L238-L240 VanDerWaalsContact C-N 3.27Å; L238-L240 PolarHBondContact O-N 3.02Å; L238-C241 PolarHBondContact O-N 3.37Å; L238-V242 HydrophobicContact CD1-CG2 4.28Å; L238-V242 HydrophobicContact CG-CG2 4.36Å; L238-V242 WeakPolarHBondContact O-CG2 3.19Å; L238-V242 PolarHBondContact O-N 3.4Å; L238-C250 HydrophobicContact CD1-CB 4.46Å; L238-L253 HydrophobicContact CB-CD1 4.48Å; L238-L253 HydrophobicContact CD1-CD1 4.46Å; L238-L260 HydrophobicContact CD2-CB 4.11Å; L238-L260 HydrophobicContact CD2-CD2 4.31Å; L238-M263 HydrophobicContact CD2-CB 3.97Å; L238-M267 HydrophobicContact CB-CE 4.32Å; L238-M267 HydrophobicContact CD2-CE 3.63Å; L238-M267 HydrophobicContact CD2-SD 4.41Å; L238-M267 HydrophobicContact CG-CE 3.81Å; L238-M267 HydrophobicContact CG-SD 4.38Å |
| 239 | D | 93.3 | Very high | 92.5 | Very high | 37 Ų | 37 | 44 Ų | 44 | 20% | 0.198 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.9 | -43.8 | 178.6 | -62.6 | -52.7 | 0 | 0 | 0 | 111 | I235 T236 V242 Q243 M267 | I235-D239 HydrophobicContact CG2-CB 3.92Å; T236-D239 WeakPolarHBondContact CA-OD2 3.41Å; T236-D239 VanDerWaalsContact CB-OD2 3.27Å; T236-D239 WeakPolarHBondContact CB-OD2 3.39Å; T236-D239 WeakPolarHBondContact CG2-OD2 3.3Å; T236-D239 PolarHBondContact N-OD2 3.09Å; T236-D239 WeakPolarHBondContact O-CB 3.3Å; T236-D239 PolarHBondContact O-N 2.85Å; T236-D239 VanDerWaalsContact OG1-CG 3.23Å; T236-D239 PolarHBondContact OG1-N 3.04Å; T236-D239 PolarHBondContact OG1-OD2 3.02Å; D239-V242 PolarHBondContact O-N 3.16Å; D239-Q243 WeakPolarHBondContact O-CB 3.49Å; D239-Q243 WeakPolarHBondContact O-CG 3.3Å; D239-Q243 PolarHBondContact O-N 3.03Å; D239-M267 WeakPolarHBondContact OD1-CE 3.47Å |
| 240 | L | 93.2 | Very high | 92.6 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 177.6 | -62.9 | 169.5 | 0 | 0 | 0 | 112.3 | Y207 I235 T236 L238 V242 Q243 G244 | Y207-L240 HydrophobicContact CD1-CD1 3.62Å; Y207-L240 HydrophobicContact CD2-CD1 3.4Å; Y207-L240 HydrophobicContact CE1-CD1 3.6Å; Y207-L240 HydrophobicContact CE1-CD2 4.3Å; Y207-L240 HydrophobicContact CE2-CD1 3.38Å; Y207-L240 HydrophobicContact CE2-CD2 4.29Å; Y207-L240 HydrophobicContact CE2-CG 4.19Å; Y207-L240 HydrophobicContact CG-CD1 3.51Å; Y207-L240 VanDerWaalsContact CZ-CD1 3.49Å; I235-L240 HydrophobicContact CG2-CD2 3.78Å; I235-L240 HydrophobicContact CG2-CG 3.96Å; T236-L240 PolarHBondContact O-N 3.21Å; L238-L240 VanDerWaalsContact C-N 3.27Å; L238-L240 PolarHBondContact O-N 3.02Å; L240-V242 VanDerWaalsContact C-N 3.28Å; L240-V242 PolarHBondContact O-N 3.39Å; L240-Q243 PolarHBondContact O-N 2.77Å; L240-G244 PolarHBondContact O-N 3.44Å |
| 241 | C | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 177.9 | -62 | 0 | 0 | 0 | 0 | 111.2 | C210 P237 L238 G245 Y246 C250 | C210-C241 WeakPolarHBondContact CB-SG 3.36Å; C210-C241 VanDerWaalsContact SG-SG 3.65Å; P237-C241 PolarHBondContact O-N 2.96Å; P237-C241 PolarHBondContact O-SG 3.46Å; L238-C241 PolarHBondContact O-N 3.37Å; C241-G245 PolarHBondContact O-N 3.43Å; C241-G245 VanDerWaalsContact O-N 3.08Å; C241-Y246 PolarHBondContact O-N 2.88Å; C241-C250 HydrophobicContact CB-CB 4.5Å; C241-C250 WeakPolarHBondContact CB-SG 3.48Å |
| 242 | V | 92.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.9 | -42 | 178.6 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | L238 D239 L240 G244 G245 L264 M267 V273 M277 L278 | L238-V242 HydrophobicContact CD1-CG2 4.28Å; L238-V242 HydrophobicContact CG-CG2 4.36Å; L238-V242 WeakPolarHBondContact O-CG2 3.19Å; L238-V242 PolarHBondContact O-N 3.4Å; D239-V242 PolarHBondContact O-N 3.16Å; L240-V242 VanDerWaalsContact C-N 3.28Å; L240-V242 PolarHBondContact O-N 3.39Å; V242-G244 VanDerWaalsContact C-N 3.3Å; V242-G244 PolarHBondContact O-N 2.95Å; V242-G245 PolarHBondContact O-N 2.67Å; V242-L264 HydrophobicContact CG2-CD1 3.59Å; V242-M267 HydrophobicContact CB-SD 4.21Å; V242-M267 HydrophobicContact CG1-SD 4.27Å; V242-M267 HydrophobicContact CG2-SD 3.87Å; V242-V273 HydrophobicContact CG1-CG1 3.68Å; V242-M277 WeakPolarHBondContact O-CB 3.46Å; V242-L278 HydrophobicContact CG1-CD2 3.49Å; V242-L278 VanDerWaalsContact CG1-CD2 3.49Å; V242-L278 HydrophobicContact CG1-CG 3.79Å |
| 243 | Q | 91.3 | Very high | 92.6 | Very high | 105 Ų | 105 | 32.3 Ų | 32.3 | 49% | 0.491 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.5 | -34.5 | 176.5 | -74.3 | 173.2 | 8.7 | 0 | 0 | 112.5 | D239 L240 | D239-Q243 WeakPolarHBondContact O-CB 3.49Å; D239-Q243 WeakPolarHBondContact O-CG 3.3Å; D239-Q243 PolarHBondContact O-N 3.03Å; L240-Q243 PolarHBondContact O-N 2.77Å |
| 244 | G | 89.2 | Confident | 92.7 | Very high | 28 Ų | 28 | 26.8 Ų | 26.8 | 29% | 0.289 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -5.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L240 V242 Y246 | L240-G244 PolarHBondContact O-N 3.44Å; V242-G244 VanDerWaalsContact C-N 3.3Å; V242-G244 PolarHBondContact O-N 2.95Å; G244-Y246 VanDerWaalsContact C-N 3.28Å; G244-Y246 WeakPolarHBondContact O-CE1 3.41Å; G244-Y246 PolarHBondContact O-N 3.25Å |
| 245 | G | 92.1 | Very high | 92.6 | Very high | 13 Ų | 13 | 30 Ų | 30 | 13% | 0.134 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 19.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | C241 V242 G247 | C241-G245 PolarHBondContact O-N 3.43Å; C241-G245 VanDerWaalsContact O-N 3.08Å; V242-G245 PolarHBondContact O-N 2.67Å; G245-G247 VanDerWaalsContact C-N 3.34Å; G245-G247 PolarHBondContact O-N 3.39Å |
| 246 | Y | 94.4 | Very high | 92.5 | Very high | 82 Ų | 82 | 31.2 Ų | 31.2 | 32% | 0.322 | 16% | 0.159 | S | C | . | . | trans | -81.9 | 73 | -173.1 | -55 | -48.1 | 0 | 0 | 0 | 112.4 | C210 S211 G213 C241 G244 E248 T249 C250 | C210-Y246 VanDerWaalsContact O-CD2 3.28Å; C210-Y246 WeakPolarHBondContact O-CD2 3.35Å; S211-Y246 WeakPolarHBondContact O-CE2 3.32Å; G213-Y246 VanDerWaalsContact CA-CD2 3.4Å; G213-Y246 VanDerWaalsContact N-CD2 3.31Å; G213-Y246 VanDerWaalsContact N-CE2 3.31Å; C241-Y246 PolarHBondContact O-N 2.88Å; G244-Y246 VanDerWaalsContact C-N 3.28Å; G244-Y246 WeakPolarHBondContact O-CE1 3.41Å; G244-Y246 PolarHBondContact O-N 3.25Å; Y246-E248 PolarHBondContact O-N 3.33Å; Y246-T249 PolarHBondContact O-N 3.35Å; Y246-C250 PolarHBondContact O-N 2.98Å; Y246-C250 PolarHBondContact O-SG 3.32Å; Y246-C250 VanDerWaalsContact O-SG 3.33Å | ||
| 247 | G | 92.1 | Very high | 92.4 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 7% | 0.072 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.6 | -47.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G245 T249 C250 E251 H284 | G245-G247 VanDerWaalsContact C-N 3.34Å; G245-G247 PolarHBondContact O-N 3.39Å; G247-T249 VanDerWaalsContact C-N 3.3Å; G247-T249 PolarHBondContact O-N 3.49Å; G247-C250 WeakPolarHBondContact O-CB 3.34Å; G247-C250 PolarHBondContact O-N 3.02Å; G247-E251 PolarHBondContact O-N 3.48Å; G247-H284 VanDerWaalsContact C-CD2 3.41Å |
| 248 | E | 92.1 | Very high | 92 | Very high | 98 Ų | 98 | 37.4 Ų | 37.4 | 46% | 0.458 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.9 | -32.3 | -177.8 | -32.9 | -171.9 | 156.9 | 0 | 0 | 112.7 | R215 Y246 I252 H284 | R215-E248 HydrophobicContact CB-CB 4.41Å; R215-E248 VanDerWaalsContact CD-CB 3.48Å; R215-E248 VanDerWaalsContact CD-OE2 3.29Å; R215-E248 WeakPolarHBondContact CD-OE2 3.3Å; R215-E248 HydrophobicContact CG-CB 4.21Å; R215-E248 IonicContact NE-OE2 2.73Å; R215-E248 PolarHBondContact NE-OE2 2.9Å; Y246-E248 PolarHBondContact O-N 3.33Å; E248-I252 PolarHBondContact O-N 2.95Å; E248-H284 PolarHBondContact N-CD2 2.95Å |
| 249 | T | 93.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -76.7 | -35.7 | 177.9 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | G213 R215 A218 Y246 G247 E251 I252 L253 | G213-T249 PolarHBondContact O-OG1 3.3Å; R215-T249 WeakPolarHBondContact CA-OG1 3.41Å; R215-T249 PolarHBondContact N-OG1 3.27Å; A218-T249 HydrophobicContact CB-CG2 3.92Å; Y246-T249 PolarHBondContact O-N 3.35Å; G247-T249 VanDerWaalsContact C-N 3.3Å; G247-T249 PolarHBondContact O-N 3.49Å; T249-E251 VanDerWaalsContact C-N 3.28Å; T249-E251 PolarHBondContact O-N 3.31Å; T249-I252 PolarHBondContact O-N 3.08Å; T249-L253 PolarHBondContact O-N 3.41Å |
| 250 | C | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.2 | -43 | 170.8 | -68.2 | 0 | 0 | 0 | 0 | 111.5 | L238 C241 Y246 G247 I252 L253 I254 V281 | L238-C250 HydrophobicContact CD1-CB 4.46Å; C241-C250 HydrophobicContact CB-CB 4.5Å; C241-C250 WeakPolarHBondContact CB-SG 3.48Å; Y246-C250 PolarHBondContact O-N 2.98Å; Y246-C250 PolarHBondContact O-SG 3.32Å; Y246-C250 VanDerWaalsContact O-SG 3.33Å; G247-C250 WeakPolarHBondContact O-CB 3.34Å; G247-C250 PolarHBondContact O-N 3.02Å; C250-I252 PolarHBondContact O-N 3.12Å; C250-L253 WeakPolarHBondContact O-CB 3.35Å; C250-L253 PolarHBondContact O-N 3.45Å; C250-I254 VanDerWaalsContact O-CG1 3.3Å; C250-I254 WeakPolarHBondContact O-CG1 3.29Å; C250-I254 PolarHBondContact O-N 2.84Å; C250-V281 HydrophobicContact CB-CG1 3.76Å; C250-V281 VanDerWaalsContact SG-CG1 3.51Å |
| 251 | E | 91.6 | Very high | 91.6 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -49.7 | 179.7 | -168.3 | -154.7 | 167.6 | 0 | 0 | 111.1 | G247 T249 L253 I254 Q255 H284 Q288 | G247-E251 PolarHBondContact O-N 3.48Å; T249-E251 VanDerWaalsContact C-N 3.28Å; T249-E251 PolarHBondContact O-N 3.31Å; E251-L253 VanDerWaalsContact C-N 3.3Å; E251-L253 PolarHBondContact O-N 3.25Å; E251-I254 PolarHBondContact O-N 3.15Å; E251-I254 VanDerWaalsContact O-N 3.08Å; E251-Q255 WeakPolarHBondContact O-CG 3.29Å; E251-Q255 PolarHBondContact O-N 3.18Å; E251-Q255 PolarHBondContact OE1-NE2 3.48Å; E251-H284 IonicContact OE2-NE2 3.66Å; E251-Q288 HydrophobicContact CG-CG 4.23Å; E251-Q288 WeakPolarHBondContact OE1-CG 3.44Å; E251-Q288 PolarHBondContact OE2-NE2 3.22Å |
| 252 | I | 93.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.9 | -44.2 | 176.5 | -70.8 | -47.9 | 0 | 0 | 0 | 111.7 | R215 Q219 L222 E248 T249 C250 I254 Q255 H256 | R215-I252 HydrophobicContact CG-CG1 3.64Å; Q219-I252 HydrophobicContact CB-CG1 4.5Å; Q219-I252 HydrophobicContact CB-CG2 4.05Å; L222-I252 HydrophobicContact CD1-CG2 3.59Å; E248-I252 PolarHBondContact O-N 2.95Å; T249-I252 PolarHBondContact O-N 3.08Å; C250-I252 PolarHBondContact O-N 3.12Å; I252-I254 PolarHBondContact O-N 3.18Å; I252-Q255 PolarHBondContact O-N 3.46Å; I252-H256 PolarHBondContact O-CD2 3.04Å; I252-H256 PolarHBondContact O-N 2.94Å |
| 253 | L | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.2 | -69.8 | 171.9 | 0 | 0 | 0 | 111.9 | L222 Y228 P237 L238 T249 C250 E251 H256 H257 L260 | L222-L253 HydrophobicContact CD1-CD2 4Å; L222-L253 HydrophobicContact CD2-CD2 4.49Å; Y228-L253 HydrophobicContact CD2-CD2 4.35Å; Y228-L253 HydrophobicContact CE2-CD2 4.4Å; P237-L253 HydrophobicContact CB-CD1 4.37Å; L238-L253 HydrophobicContact CB-CD1 4.48Å; L238-L253 HydrophobicContact CD1-CD1 4.46Å; T249-L253 PolarHBondContact O-N 3.41Å; C250-L253 WeakPolarHBondContact O-CB 3.35Å; C250-L253 PolarHBondContact O-N 3.45Å; E251-L253 VanDerWaalsContact C-N 3.3Å; E251-L253 PolarHBondContact O-N 3.25Å; L253-H256 PolarHBondContact O-N 3.24Å; L253-H257 PolarHBondContact O-N 2.96Å; L253-L260 HydrophobicContact CB-CD1 3.86Å |
| 254 | I | 92 | Very high | 91.4 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.6 | -38.3 | -179.8 | -68.5 | 164.9 | 0 | 0 | 0 | 111.5 | C250 E251 I252 H256 H257 A258 L260 F261 L264 V285 | C250-I254 VanDerWaalsContact O-CG1 3.3Å; C250-I254 WeakPolarHBondContact O-CG1 3.29Å; C250-I254 PolarHBondContact O-N 2.84Å; E251-I254 PolarHBondContact O-N 3.15Å; E251-I254 VanDerWaalsContact O-N 3.08Å; I252-I254 PolarHBondContact O-N 3.18Å; I254-H256 VanDerWaalsContact C-N 3.34Å; I254-H256 PolarHBondContact O-N 2.97Å; I254-H257 CarbonylContact O-C 3.02Å; I254-H257 PolarHBondContact O-N 3.41Å; I254-A258 PolarHBondContact O-N 2.92Å; I254-L260 HydrophobicContact CG1-CB 4.18Å; I254-F261 HydrophobicContact CG2-CB 3.99Å; I254-F261 HydrophobicContact CG2-CD2 4.39Å; I254-L264 HydrophobicContact CD1-CD2 3.77Å; I254-V285 HydrophobicContact CD1-CG2 4.35Å |
| 255 | Q | 90.2 | Very high | 91.5 | Very high | 115 Ų | 115 | 47 Ų | 47 | 54% | 0.537 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 176.7 | -72.7 | 179.4 | 4.8 | 0 | 0 | 111.8 | E251 I252 | E251-Q255 WeakPolarHBondContact O-CG 3.29Å; E251-Q255 PolarHBondContact O-N 3.18Å; E251-Q255 PolarHBondContact OE1-NE2 3.48Å; I252-Q255 PolarHBondContact O-N 3.46Å |
| 256 | H | 89.7 | Confident | 91.5 | Very high | 75 Ų | 75 | 51.3 Ų | 51.3 | 35% | 0.347 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -78.7 | -29.9 | 176.9 | -80 | -91.6 | 0 | 0 | 0 | 113.3 | Q219 L222 I252 L253 I254 | Q219-H256 PolarHBondContact OE1-NE2 3.29Å; L222-H256 HydrophobicContact CD1-CB 4.29Å; I252-H256 PolarHBondContact O-CD2 3.04Å; I252-H256 PolarHBondContact O-N 2.94Å; L253-H256 PolarHBondContact O-N 3.24Å; I254-H256 VanDerWaalsContact C-N 3.34Å; I254-H256 PolarHBondContact O-N 2.97Å |
| 257 | H | 89.8 | Confident | 91.3 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 32% | 0.324 | 23% | 0.233 | S | C | . | . | trans | -133.3 | 86.9 | -178.1 | -61 | -55.9 | 0 | 0 | 0 | 111.7 | L253 I254 R259 L260 | L253-H257 PolarHBondContact O-N 2.96Å; I254-H257 CarbonylContact O-C 3.02Å; I254-H257 PolarHBondContact O-N 3.41Å; H257-R259 PolarHBondContact O-N 3.36Å; H257-L260 HydrophobicContact CB-CD1 3.66Å; H257-L260 HydrophobicContact CB-CG 3.65Å; H257-L260 VanDerWaalsContact O-CB 3.25Å; H257-L260 WeakPolarHBondContact O-CB 3.12Å; H257-L260 WeakPolarHBondContact O-CG 3.27Å; H257-L260 PolarHBondContact O-N 3.17Å | ||
| 258 | A | 85.4 | Confident | 91.2 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 65% | 0.653 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -24.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | I254 L260 F261 | I254-A258 PolarHBondContact O-N 2.92Å; A258-L260 VanDerWaalsContact C-N 3.26Å; A258-L260 PolarHBondContact O-N 3.25Å; A258-F261 WeakPolarHBondContact O-CB 3.44Å; A258-F261 PolarHBondContact O-N 2.98Å |
| 259 | R | 89.7 | Confident | 91.1 | Very high | 225 Ų | 225 | 46.1 Ų | 46.1 | 85% | 0.849 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -66.7 | -26.2 | 175.1 | -66.6 | -177.7 | -177.3 | 169.6 | 0.7 | 113 | H257 F261 Q262 M263 | H257-R259 PolarHBondContact O-N 3.36Å; R259-F261 PolarHBondContact O-N 2.65Å; R259-Q262 PolarHBondContact O-N 2.85Å; R259-Q262 VanDerWaalsContact O-N 3.14Å; R259-M263 PolarHBondContact O-N 3.42Å |
| 260 | L | 91.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -24.8 | 178.2 | -64.1 | -174.1 | 0 | 0 | 0 | 112.2 | Y228 L238 L253 I254 H257 A258 Q262 M263 L264 | Y228-L260 HydrophobicContact CD2-CD1 4.11Å; Y228-L260 HydrophobicContact CE1-CD2 3.96Å; Y228-L260 HydrophobicContact CE2-CD1 3.68Å; Y228-L260 HydrophobicContact CE2-CD2 4.11Å; L238-L260 HydrophobicContact CD2-CB 4.11Å; L238-L260 HydrophobicContact CD2-CD2 4.31Å; L253-L260 HydrophobicContact CB-CD1 3.86Å; I254-L260 HydrophobicContact CG1-CB 4.18Å; H257-L260 HydrophobicContact CB-CD1 3.66Å; H257-L260 HydrophobicContact CB-CG 3.65Å; H257-L260 VanDerWaalsContact O-CB 3.25Å; H257-L260 WeakPolarHBondContact O-CB 3.12Å; H257-L260 WeakPolarHBondContact O-CG 3.27Å; H257-L260 PolarHBondContact O-N 3.17Å; A258-L260 VanDerWaalsContact C-N 3.26Å; A258-L260 PolarHBondContact O-N 3.25Å; L260-Q262 VanDerWaalsContact C-N 3.33Å; L260-Q262 PolarHBondContact O-N 3.48Å; L260-M263 HydrophobicContact CD2-SD 3.67Å; L260-M263 PolarHBondContact O-N 3.06Å; L260-L264 PolarHBondContact O-N 3.04Å |
| 261 | F | 91.5 | Very high | 90.3 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 172.3 | -178.2 | -94.8 | 0 | 0 | 0 | 111.4 | I254 A258 R259 M263 L264 I265 K295 V296 | I254-F261 HydrophobicContact CG2-CB 3.99Å; I254-F261 HydrophobicContact CG2-CD2 4.39Å; A258-F261 WeakPolarHBondContact O-CB 3.44Å; A258-F261 PolarHBondContact O-N 2.98Å; R259-F261 PolarHBondContact O-N 2.65Å; F261-M263 VanDerWaalsContact C-N 3.3Å; F261-M263 PolarHBondContact O-N 3.29Å; F261-L264 WeakPolarHBondContact O-CB 3.32Å; F261-L264 PolarHBondContact O-N 2.99Å; F261-I265 HydrophobicContact CD1-CG1 4.33Å; F261-I265 HydrophobicContact CE1-CD1 4.46Å; F261-I265 HydrophobicContact CE1-CG1 3.93Å; F261-I265 HydrophobicContact CZ-CD1 4.21Å; F261-I265 HydrophobicContact CZ-CG1 4.16Å; F261-I265 WeakPolarHBondContact O-CG1 3.27Å; F261-I265 PolarHBondContact O-N 3.29Å; F261-I265 VanDerWaalsContact O-N 3.07Å; F261-K295 HydrophobicContact CE1-CD 4.06Å; F261-K295 HydrophobicContact CE1-CG 3.89Å; F261-K295 HydrophobicContact CE2-CD 4.46Å; F261-K295 HydrophobicContact CZ-CB 4.39Å; F261-K295 HydrophobicContact CZ-CD 4Å; F261-K295 HydrophobicContact CZ-CG 3.75Å; F261-V296 HydrophobicContact CE2-CG2 3.73Å; F261-V296 HydrophobicContact CZ-CG2 3.94Å |
| 262 | Q | 90.7 | Very high | 90 | Very high | 81 Ų | 81 | 59.3 Ų | 59.3 | 38% | 0.379 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -35.9 | 179.1 | -169.5 | 62.3 | 29.3 | 0 | 0 | 111.5 | R259 L260 I265 Q266 | R259-Q262 PolarHBondContact O-N 2.85Å; R259-Q262 VanDerWaalsContact O-N 3.14Å; L260-Q262 VanDerWaalsContact C-N 3.33Å; L260-Q262 PolarHBondContact O-N 3.48Å; Q262-I265 PolarHBondContact O-N 3.18Å; Q262-Q266 WeakPolarHBondContact O-CB 3.39Å; Q262-Q266 VanDerWaalsContact O-CG 3.32Å; Q262-Q266 WeakPolarHBondContact O-CG 3.25Å; Q262-Q266 PolarHBondContact O-N 3.31Å |
| 263 | M | 90.3 | Very high | 89.7 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.9 | -66.9 | 176.7 | 63.9 | 0 | 0 | 111.4 | L238 R259 L260 F261 I265 Q266 M267 | L238-M263 HydrophobicContact CD2-CB 3.97Å; R259-M263 PolarHBondContact O-N 3.42Å; L260-M263 HydrophobicContact CD2-SD 3.67Å; L260-M263 PolarHBondContact O-N 3.06Å; F261-M263 VanDerWaalsContact C-N 3.3Å; F261-M263 PolarHBondContact O-N 3.29Å; M263-I265 VanDerWaalsContact C-N 3.33Å; M263-I265 PolarHBondContact O-N 3.04Å; M263-Q266 WeakPolarHBondContact O-CB 3.28Å; M263-Q266 PolarHBondContact O-N 2.98Å; M263-Q266 VanDerWaalsContact O-N 3.11Å; M263-M267 WeakPolarHBondContact O-CG 3.21Å; M263-M267 PolarHBondContact O-N 3.41Å |
| 264 | L | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 174.8 | 175.7 | 64.7 | 0 | 0 | 0 | 111.5 | V242 I254 L260 F261 Q266 M267 L278 V281 L282 V285 | V242-L264 HydrophobicContact CG2-CD1 3.59Å; I254-L264 HydrophobicContact CD1-CD2 3.77Å; L260-L264 PolarHBondContact O-N 3.04Å; F261-L264 WeakPolarHBondContact O-CB 3.32Å; F261-L264 PolarHBondContact O-N 2.99Å; L264-Q266 VanDerWaalsContact C-N 3.34Å; L264-Q266 PolarHBondContact O-N 3.19Å; L264-M267 WeakPolarHBondContact O-CB 3.34Å; L264-M267 PolarHBondContact O-N 2.75Å; L264-L278 HydrophobicContact CD1-CD2 4.16Å; L264-V281 HydrophobicContact CD1-CG1 3.92Å; L264-V281 HydrophobicContact CD2-CG1 4.12Å; L264-L282 HydrophobicContact CD2-CD2 3.78Å; L264-L282 HydrophobicContact CG-CD2 4.02Å; L264-V285 HydrophobicContact CD2-CG2 4.41Å |
| 265 | I | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.6 | -60.2 | -58.6 | 0 | 0 | 0 | 110.5 | F261 Q262 M263 M267 T268 L282 L300 V303 | F261-I265 HydrophobicContact CD1-CG1 4.33Å; F261-I265 HydrophobicContact CE1-CD1 4.46Å; F261-I265 HydrophobicContact CE1-CG1 3.93Å; F261-I265 HydrophobicContact CZ-CD1 4.21Å; F261-I265 HydrophobicContact CZ-CG1 4.16Å; F261-I265 WeakPolarHBondContact O-CG1 3.27Å; F261-I265 PolarHBondContact O-N 3.29Å; F261-I265 VanDerWaalsContact O-N 3.07Å; Q262-I265 PolarHBondContact O-N 3.18Å; M263-I265 VanDerWaalsContact C-N 3.33Å; M263-I265 PolarHBondContact O-N 3.04Å; I265-M267 VanDerWaalsContact C-N 3.32Å; I265-M267 PolarHBondContact O-N 3.14Å; I265-T268 WeakPolarHBondContact O-CB 3.42Å; I265-T268 WeakPolarHBondContact O-CG2 3.3Å; I265-T268 PolarHBondContact O-N 2.89Å; I265-T268 PolarHBondContact O-OG1 3.15Å; I265-L282 HydrophobicContact CD1-CD2 4.09Å; I265-L300 HydrophobicContact CD1-CD2 4.13Å; I265-L300 HydrophobicContact CD1-CG 4.18Å; I265-L300 HydrophobicContact CG2-CD2 4.33Å; I265-V303 HydrophobicContact CG2-CG2 3.76Å |
| 266 | Q | 91.2 | Very high | 89.1 | Confident | 102 Ų | 102 | 66.8 Ų | 66.8 | 48% | 0.477 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -33.6 | 177.2 | -75 | 175 | -7 | 0 | 0 | 113.2 | Q262 M263 L264 T268 Q269 | Q262-Q266 WeakPolarHBondContact O-CB 3.39Å; Q262-Q266 VanDerWaalsContact O-CG 3.32Å; Q262-Q266 WeakPolarHBondContact O-CG 3.25Å; Q262-Q266 PolarHBondContact O-N 3.31Å; M263-Q266 WeakPolarHBondContact O-CB 3.28Å; M263-Q266 PolarHBondContact O-N 2.98Å; M263-Q266 VanDerWaalsContact O-N 3.11Å; L264-Q266 VanDerWaalsContact C-N 3.34Å; L264-Q266 PolarHBondContact O-N 3.19Å; Q266-T268 PolarHBondContact O-N 2.89Å; Q266-T268 VanDerWaalsContact O-N 3.16Å; Q266-Q269 WeakPolarHBondContact O-CB 3.41Å; Q266-Q269 PolarHBondContact O-N 3.34Å |
| 267 | M | 90.8 | Very high | 89 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 9% | 0.089 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -21.3 | 175.8 | -70.9 | 175.2 | -170.8 | 0 | 0 | 113.2 | L238 D239 V242 M263 L264 I265 Q269 N270 L278 | L238-M267 HydrophobicContact CB-CE 4.32Å; L238-M267 HydrophobicContact CD2-CE 3.63Å; L238-M267 HydrophobicContact CD2-SD 4.41Å; L238-M267 HydrophobicContact CG-CE 3.81Å; L238-M267 HydrophobicContact CG-SD 4.38Å; D239-M267 WeakPolarHBondContact OD1-CE 3.47Å; V242-M267 HydrophobicContact CB-SD 4.21Å; V242-M267 HydrophobicContact CG1-SD 4.27Å; V242-M267 HydrophobicContact CG2-SD 3.87Å; M263-M267 WeakPolarHBondContact O-CG 3.21Å; M263-M267 PolarHBondContact O-N 3.41Å; L264-M267 WeakPolarHBondContact O-CB 3.34Å; L264-M267 PolarHBondContact O-N 2.75Å; I265-M267 VanDerWaalsContact C-N 3.32Å; I265-M267 PolarHBondContact O-N 3.14Å; M267-Q269 PolarHBondContact O-N 3.4Å; M267-N270 PolarHBondContact O-N 3.19Å; M267-L278 HydrophobicContact CB-CD2 4.13Å |
| 268 | T | 90.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.9 | 174.1 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | I265 Q266 L278 L282 L300 R327 I331 | I265-T268 WeakPolarHBondContact O-CB 3.42Å; I265-T268 WeakPolarHBondContact O-CG2 3.3Å; I265-T268 PolarHBondContact O-N 2.89Å; I265-T268 PolarHBondContact O-OG1 3.15Å; Q266-T268 PolarHBondContact O-N 2.89Å; Q266-T268 VanDerWaalsContact O-N 3.16Å; T268-L278 HydrophobicContact CG2-CD2 4.35Å; T268-L282 HydrophobicContact CG2-CD1 3.86Å; T268-L300 HydrophobicContact CG2-CD2 3.8Å; T268-R327 WeakPolarHBondContact O-CD 3.4Å; T268-R327 PolarHBondContact O-NE 2.82Å; T268-R327 VanDerWaalsContact O-NE 3.14Å; T268-I331 HydrophobicContact CG2-CD1 4.08Å |
| 269 | Q | 89.9 | Confident | 89.3 | Confident | 60 Ų | 60 | 61.4 Ų | 61.4 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -19.3 | 175.6 | -63.8 | 174.4 | 93.5 | 0 | 0 | 113.5 | Q266 M267 V303 N307 S324 I328 | Q266-Q269 WeakPolarHBondContact O-CB 3.41Å; Q266-Q269 PolarHBondContact O-N 3.34Å; M267-Q269 PolarHBondContact O-N 3.4Å; Q269-V303 HydrophobicContact CG-CG1 3.82Å; Q269-N307 PolarHBondContact OE1-ND2 3.2Å; Q269-N307 PolarHBondContact OE1-OD1 2.86Å; Q269-S324 WeakPolarHBondContact CA-OG 3.36Å; Q269-S324 WeakPolarHBondContact CB-OG 3.47Å; Q269-S324 WeakPolarHBondContact CG-OG 3.18Å; Q269-I328 HydrophobicContact CG-CD1 3.88Å |
| 270 | N | 86.8 | Confident | 89.2 | Confident | 72 Ų | 72 | 55.4 Ų | 55.4 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | trans | -83.8 | 120.4 | -174.3 | -173.2 | -6 | 0 | 0 | 0 | 110.9 | M267 D272 V273 R327 | M267-N270 PolarHBondContact O-N 3.19Å; N270-D272 VanDerWaalsContact C-N 3.34Å; N270-D272 PolarHBondContact O-N 3.01Å; N270-D272 PolarHBondContact OD1-N 3.19Å; N270-V273 HydrophobicContact CB-CG2 4.34Å; N270-R327 PolarHBondContact O-NH1 2.88Å; N270-R327 VanDerWaalsContact O-NH1 3.14Å; N270-R327 PolarHBondContact O-NH2 3.05Å | ||
| 271 | E | 83.8 | Confident | 89.2 | Confident | 88 Ų | 88 | 55 Ų | 55 | 41% | 0.411 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -32.2 | -179.5 | -71.1 | -173.2 | -167 | 0 | 0 | 113.6 | V273 K323 R327 | E271-V273 PolarHBondContact O-N 3.26Å; E271-V273 VanDerWaalsContact O-N 3.17Å; E271-K323 WeakPolarHBondContact OE1-CB 3.4Å; E271-K323 WeakPolarHBondContact OE1-CD 3.07Å; E271-K323 IonicContact OE2-NZ 2.76Å; E271-R327 PolarHBondContact O-NH1 3.03Å |
| 272 | D | 85.2 | Confident | 89.2 | Confident | 149 Ų | 149 | 54.8 Ų | 54.8 | 80% | 0.797 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.7 | -176.1 | -63.1 | -32.8 | 0 | 0 | 0 | 112.9 | N270 | N270-D272 VanDerWaalsContact C-N 3.34Å; N270-D272 PolarHBondContact O-N 3.01Å; N270-D272 PolarHBondContact OD1-N 3.19Å |
| 273 | V | 85.9 | Confident | 89.2 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -81.2 | 136.6 | 177 | -176.4 | 0 | 0 | 0 | 0 | 109 | V242 N270 E271 E275 L278 R327 | V242-V273 HydrophobicContact CG1-CG1 3.68Å; N270-V273 HydrophobicContact CB-CG2 4.34Å; E271-V273 PolarHBondContact O-N 3.26Å; E271-V273 VanDerWaalsContact O-N 3.17Å; V273-E275 PolarHBondContact O-N 3.32Å; V273-L278 HydrophobicContact CB-CD1 4.11Å; V273-L278 HydrophobicContact CG1-CD1 3.63Å; V273-L278 HydrophobicContact CG1-CG 3.76Å; V273-R327 PolarHBondContact O-NH1 3.04Å; V273-R327 PolarHBondContact O-NH2 2.81Å |
| 274 | K | 87.7 | Confident | 89.2 | Confident | 154 Ų | 154 | 52.4 Ų | 52.4 | 67% | 0.67 | 25% | 0.252 | S | S | * | . | trans | -69.9 | 127.5 | 176.5 | -67.5 | -178.1 | 179.3 | -179.9 | 0 | 111.3 | N276 M277 L278 | K274-N276 VanDerWaalsContact C-N 3.31Å; K274-N276 PolarHBondContact O-N 3.13Å; K274-M277 HydrophobicContact CB-CG 3.99Å; K274-M277 PolarHBondContact O-N 2.82Å; K274-M277 VanDerWaalsContact O-N 3.13Å; K274-L278 PolarHBondContact O-N 3.29Å | ||
| 275 | E | 88.2 | Confident | 89 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.4 | -41.1 | -177.6 | -167.7 | 177.5 | 140.2 | 0 | 0 | 112.4 | V273 M277 L278 R279 R327 R330 I331 | V273-E275 PolarHBondContact O-N 3.32Å; E275-M277 VanDerWaalsContact C-N 3.3Å; E275-M277 PolarHBondContact O-N 3.36Å; E275-L278 PolarHBondContact O-N 2.94Å; E275-R279 WeakPolarHBondContact O-CG 3.19Å; E275-R279 PolarHBondContact O-N 2.89Å; E275-R279 IonicContact OE1-CZ 3.84Å; E275-R279 VanDerWaalsContact OE1-CZ 3.28Å; E275-R279 IonicContact OE1-NE 3.44Å; E275-R279 PolarHBondContact OE1-NE 3.18Å; E275-R279 IonicContact OE1-NH2 3.93Å; E275-R279 PolarHBondContact OE1-NH2 3.12Å; E275-R327 HydrophobicContact CG-CG 4.21Å; E275-R330 WeakPolarHBondContact OE1-CB 3.43Å; E275-R330 IonicContact OE1-NE 2.82Å; E275-R330 PolarHBondContact OE1-NE 3.4Å; E275-R330 VanDerWaalsContact OE1-NE 3.08Å; E275-R330 IonicContact OE2-CZ 2.73Å; E275-R330 IonicContact OE2-NE 3.25Å; E275-R330 PolarHBondContact OE2-NE 3.29Å; E275-R330 VanDerWaalsContact OE2-NE 3.13Å; E275-R330 IonicContact OE2-NH2 3.5Å; E275-R330 PolarHBondContact OE2-NH2 2.93Å; E275-I331 HydrophobicContact CG-CD1 4.14Å; E275-I331 HydrophobicContact CG-CG1 4.03Å |
| 276 | N | 86.8 | Confident | 88.7 | Confident | 107 Ų | 107 | 52.8 Ų | 52.8 | 57% | 0.572 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.4 | -35.5 | 179.6 | -69.8 | -13.8 | 0 | 0 | 0 | 113.1 | K274 R279 Q280 | K274-N276 VanDerWaalsContact C-N 3.31Å; K274-N276 PolarHBondContact O-N 3.13Å; N276-R279 PolarHBondContact O-N 3.25Å; N276-Q280 WeakPolarHBondContact O-CG 3.27Å; N276-Q280 PolarHBondContact O-N 3.34Å; N276-Q280 VanDerWaalsContact O-N 3.08Å |
| 277 | M | 88.4 | Confident | 88.5 | Confident | 51 Ų | 51 | 53.3 Ų | 53.3 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.5 | -40.3 | 180 | -56.9 | -60.3 | 178.3 | 0 | 0 | 111.2 | V242 K274 E275 R279 Q280 V281 | V242-M277 WeakPolarHBondContact O-CB 3.46Å; K274-M277 HydrophobicContact CB-CG 3.99Å; K274-M277 PolarHBondContact O-N 2.82Å; K274-M277 VanDerWaalsContact O-N 3.13Å; E275-M277 VanDerWaalsContact C-N 3.3Å; E275-M277 PolarHBondContact O-N 3.36Å; M277-R279 VanDerWaalsContact C-N 3.34Å; M277-R279 PolarHBondContact O-N 3.15Å; M277-Q280 PolarHBondContact O-N 3Å; M277-V281 WeakPolarHBondContact O-CG2 3.15Å; M277-V281 PolarHBondContact O-N 2.71Å |
| 278 | L | 90.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 172 | -82.6 | 160.6 | 0 | 0 | 0 | 112.2 | V242 L264 M267 T268 V273 K274 E275 V281 L282 I331 | V242-L278 HydrophobicContact CG1-CD2 3.49Å; V242-L278 VanDerWaalsContact CG1-CD2 3.49Å; V242-L278 HydrophobicContact CG1-CG 3.79Å; L264-L278 HydrophobicContact CD1-CD2 4.16Å; M267-L278 HydrophobicContact CB-CD2 4.13Å; T268-L278 HydrophobicContact CG2-CD2 4.35Å; V273-L278 HydrophobicContact CB-CD1 4.11Å; V273-L278 HydrophobicContact CG1-CD1 3.63Å; V273-L278 HydrophobicContact CG1-CG 3.76Å; K274-L278 PolarHBondContact O-N 3.29Å; E275-L278 PolarHBondContact O-N 2.94Å; L278-V281 PolarHBondContact O-N 3.35Å; L278-L282 WeakPolarHBondContact O-CB 3.47Å; L278-L282 WeakPolarHBondContact O-CG 3.3Å; L278-L282 PolarHBondContact O-N 3.29Å; L278-I331 HydrophobicContact CB-CD1 4.38Å |
| 279 | R | 89.9 | Confident | 87.8 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 175.4 | -72.3 | 176.8 | -177.5 | -166.7 | 2.5 | 111 | E275 N276 M277 V281 L282 E283 I331 | E275-R279 WeakPolarHBondContact O-CG 3.19Å; E275-R279 PolarHBondContact O-N 2.89Å; E275-R279 IonicContact OE1-CZ 3.84Å; E275-R279 VanDerWaalsContact OE1-CZ 3.28Å; E275-R279 IonicContact OE1-NE 3.44Å; E275-R279 PolarHBondContact OE1-NE 3.18Å; E275-R279 IonicContact OE1-NH2 3.93Å; E275-R279 PolarHBondContact OE1-NH2 3.12Å; N276-R279 PolarHBondContact O-N 3.25Å; M277-R279 VanDerWaalsContact C-N 3.34Å; M277-R279 PolarHBondContact O-N 3.15Å; R279-V281 PolarHBondContact O-N 2.68Å; R279-L282 PolarHBondContact O-N 3.43Å; R279-E283 WeakPolarHBondContact O-CB 3.35Å; R279-E283 PolarHBondContact O-N 3.03Å; R279-I331 HydrophobicContact CG-CG1 4.03Å |
| 280 | Q | 88.6 | Confident | 87.4 | Confident | 98 Ų | 98 | 60.2 Ų | 60.2 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 177.8 | -73.4 | 175.7 | -3.4 | 0 | 0 | 112.6 | N276 M277 H284 | N276-Q280 WeakPolarHBondContact O-CG 3.27Å; N276-Q280 PolarHBondContact O-N 3.34Å; N276-Q280 VanDerWaalsContact O-N 3.08Å; M277-Q280 PolarHBondContact O-N 3Å; Q280-H284 PolarHBondContact O-N 3.2Å; Q280-H284 VanDerWaalsContact O-N 3.11Å |
| 281 | V | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.5 | -48 | 178.5 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | C250 L264 M277 L278 R279 H284 V285 | C250-V281 HydrophobicContact CB-CG1 3.76Å; C250-V281 VanDerWaalsContact SG-CG1 3.51Å; L264-V281 HydrophobicContact CD1-CG1 3.92Å; L264-V281 HydrophobicContact CD2-CG1 4.12Å; M277-V281 WeakPolarHBondContact O-CG2 3.15Å; M277-V281 PolarHBondContact O-N 2.71Å; L278-V281 PolarHBondContact O-N 3.35Å; R279-V281 PolarHBondContact O-N 2.68Å; V281-H284 PolarHBondContact O-N 3.35Å; V281-V285 HydrophobicContact CG1-CG2 4.42Å; V281-V285 WeakPolarHBondContact O-CG2 3.39Å; V281-V285 PolarHBondContact O-N 3.33Å |
| 282 | L | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.6 | -34.8 | -178.9 | -72.3 | 168.1 | 0 | 0 | 0 | 112.4 | L264 I265 T268 L278 R279 S286 V296 L300 I331 V335 | L264-L282 HydrophobicContact CD2-CD2 3.78Å; L264-L282 HydrophobicContact CG-CD2 4.02Å; I265-L282 HydrophobicContact CD1-CD2 4.09Å; T268-L282 HydrophobicContact CG2-CD1 3.86Å; L278-L282 WeakPolarHBondContact O-CB 3.47Å; L278-L282 WeakPolarHBondContact O-CG 3.3Å; L278-L282 PolarHBondContact O-N 3.29Å; R279-L282 PolarHBondContact O-N 3.43Å; L282-S286 WeakPolarHBondContact O-CB 3.36Å; L282-S286 PolarHBondContact O-N 3.08Å; L282-S286 PolarHBondContact O-OG 3.34Å; L282-V296 HydrophobicContact CD2-CG1 3.98Å; L282-L300 HydrophobicContact CD1-CD2 4.48Å; L282-I331 HydrophobicContact CD1-CG2 3.48Å; L282-I331 VanDerWaalsContact CD1-CG2 3.48Å; L282-V335 HydrophobicContact CB-CG2 4.16Å |
| 283 | E | 90.3 | Very high | 87.6 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.3 | -54.4 | 169.6 | 167 | 169 | -163.9 | 0 | 0 | 110 | R279 V285 S286 Q287 L338 | R279-E283 WeakPolarHBondContact O-CB 3.35Å; R279-E283 PolarHBondContact O-N 3.03Å; E283-V285 PolarHBondContact O-N 3.48Å; E283-S286 PolarHBondContact O-N 3.08Å; E283-S286 VanDerWaalsContact O-N 3.15Å; E283-S286 PolarHBondContact O-OG 3.03Å; E283-Q287 WeakPolarHBondContact O-CG 3.37Å; E283-Q287 PolarHBondContact O-N 3.33Å; E283-Q287 PolarHBondContact OE1-NE2 3.37Å; E283-Q287 VanDerWaalsContact OE1-NE2 3.16Å; E283-L338 HydrophobicContact CB-CD1 3.94Å; E283-L338 HydrophobicContact CG-CD1 3.63Å |
| 284 | H | 89.3 | Confident | 87.7 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62 | -45 | -178.9 | -168.9 | 77.1 | 0 | 0 | 0 | 112.6 | G247 E248 E251 Q280 V281 S286 Q287 Q288 | G247-H284 VanDerWaalsContact C-CD2 3.41Å; E248-H284 PolarHBondContact N-CD2 2.95Å; E251-H284 IonicContact OE2-NE2 3.66Å; Q280-H284 PolarHBondContact O-N 3.2Å; Q280-H284 VanDerWaalsContact O-N 3.11Å; V281-H284 PolarHBondContact O-N 3.35Å; H284-S286 VanDerWaalsContact C-N 3.26Å; H284-S286 PolarHBondContact O-N 3.2Å; H284-Q287 PolarHBondContact O-N 3.48Å; H284-Q288 PolarHBondContact NE2-NE2 3.29Å |
| 285 | V | 88.3 | Confident | 87.8 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62 | -35.5 | 177 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | I254 L264 V281 E283 H292 V296 | I254-V285 HydrophobicContact CD1-CG2 4.35Å; L264-V285 HydrophobicContact CD2-CG2 4.41Å; V281-V285 HydrophobicContact CG1-CG2 4.42Å; V281-V285 WeakPolarHBondContact O-CG2 3.39Å; V281-V285 PolarHBondContact O-N 3.33Å; E283-V285 PolarHBondContact O-N 3.48Å; V285-H292 WeakPolarHBondContact O-CB 3.36Å; V285-V296 HydrophobicContact CG1-CG2 4.08Å |
| 286 | S | 87.7 | Confident | 88 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.3 | -29.9 | 179.6 | 76.4 | 0 | 0 | 0 | 0 | 113.4 | L282 E283 H284 Q288 Y293 | L282-S286 WeakPolarHBondContact O-CB 3.36Å; L282-S286 PolarHBondContact O-N 3.08Å; L282-S286 PolarHBondContact O-OG 3.34Å; E283-S286 PolarHBondContact O-N 3.08Å; E283-S286 VanDerWaalsContact O-N 3.15Å; E283-S286 PolarHBondContact O-OG 3.03Å; H284-S286 VanDerWaalsContact C-N 3.26Å; H284-S286 PolarHBondContact O-N 3.2Å; S286-Q288 VanDerWaalsContact C-N 3.28Å; S286-Q288 PolarHBondContact O-N 2.96Å; S286-Y293 WeakPolarHBondContact O-CB 3.4Å |
| 287 | Q | 87.1 | Confident | 88.3 | Confident | 114 Ų | 114 | 47.3 Ų | 47.3 | 53% | 0.533 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -75.3 | -12.5 | -178.3 | -74.5 | 172.4 | 1.4 | 0 | 0 | 113.8 | E283 H284 | E283-Q287 WeakPolarHBondContact O-CG 3.37Å; E283-Q287 PolarHBondContact O-N 3.33Å; E283-Q287 PolarHBondContact OE1-NE2 3.37Å; E283-Q287 VanDerWaalsContact OE1-NE2 3.16Å; H284-Q287 PolarHBondContact O-N 3.48Å |
| 288 | Q | 83.1 | Confident | 88.4 | Confident | 79 Ų | 79 | 46.9 Ų | 46.9 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -39.4 | -176.8 | -63.2 | -58.6 | -26.6 | 0 | 0 | 113.5 | E251 H284 S286 | E251-Q288 HydrophobicContact CG-CG 4.23Å; E251-Q288 WeakPolarHBondContact OE1-CG 3.44Å; E251-Q288 PolarHBondContact OE2-NE2 3.22Å; H284-Q288 PolarHBondContact NE2-NE2 3.29Å; S286-Q288 VanDerWaalsContact C-N 3.28Å; S286-Q288 PolarHBondContact O-N 2.96Å |
| 289 | S | 83.4 | Confident | 88.6 | Confident | 39 Ų | 39 | 47.6 Ų | 47.6 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | trans | -161.9 | 156.3 | 174.3 | 70.2 | 0 | 0 | 0 | 0 | 111.9 | S291 H292 Y293 | S289-S291 PolarHBondContact O-N 3.4Å; S289-S291 VanDerWaalsContact O-N 3.13Å; S289-S291 PolarHBondContact OG-OG 3.44Å; S289-H292 PolarHBondContact O-N 3.18Å; S289-H292 PolarHBondContact OG-N 3.33Å; S289-H292 PolarHBondContact OG-ND1 3.47Å; S289-Y293 PolarHBondContact O-N 2.91Å | ||
| 290 | D | 82.1 | Confident | 88.8 | Confident | 105 Ų | 105 | 44.7 Ų | 44.7 | 56% | 0.561 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -56.4 | -31.7 | 175 | -69 | -15.4 | 0 | 0 | 0 | 112.9 | Q294 | D290-Q294 WeakPolarHBondContact O-CG 3.43Å; D290-Q294 PolarHBondContact O-N 3.39Å |
| 291 | S | 85 | Confident | 89 | Confident | 77 Ų | 77 | 40 Ų | 40 | 54% | 0.538 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -69.9 | -39.6 | 175.6 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | S289 K295 | S289-S291 PolarHBondContact O-N 3.4Å; S289-S291 VanDerWaalsContact O-N 3.13Å; S289-S291 PolarHBondContact OG-OG 3.44Å; S291-K295 VanDerWaalsContact O-CB 3.26Å; S291-K295 WeakPolarHBondContact O-CB 3.48Å; S291-K295 PolarHBondContact O-N 3.28Å |
| 292 | H | 85.5 | Confident | 89.1 | Confident | 72 Ų | 72 | 44.7 Ų | 44.7 | 33% | 0.333 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.8 | -42 | 174.2 | -74.4 | 99.8 | 0 | 0 | 0 | 111 | V285 S289 Q294 K295 V296 | V285-H292 WeakPolarHBondContact O-CB 3.36Å; S289-H292 PolarHBondContact O-N 3.18Å; S289-H292 PolarHBondContact OG-N 3.33Å; S289-H292 PolarHBondContact OG-ND1 3.47Å; H292-Q294 PolarHBondContact O-N 3.21Å; H292-K295 PolarHBondContact O-N 2.99Å; H292-V296 WeakPolarHBondContact O-CB 3.3Å; H292-V296 WeakPolarHBondContact O-CG2 3.22Å; H292-V296 PolarHBondContact O-N 3.25Å |
| 293 | Y | 89.1 | Confident | 89.2 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.3 | -53.3 | 173.2 | 175.3 | -99.7 | 0 | 0 | 0 | 112.2 | S286 S289 K295 V296 L297 V335 F336 G339 | S286-Y293 WeakPolarHBondContact O-CB 3.4Å; S289-Y293 PolarHBondContact O-N 2.91Å; Y293-K295 VanDerWaalsContact C-N 3.34Å; Y293-K295 PolarHBondContact O-N 2.8Å; Y293-V296 PolarHBondContact O-N 3.05Å; Y293-L297 HydrophobicContact CD1-CD1 4.12Å; Y293-L297 HydrophobicContact CD2-CD1 4.29Å; Y293-L297 HydrophobicContact CE1-CD1 3.52Å; Y293-L297 HydrophobicContact CE2-CD1 3.72Å; Y293-L297 HydrophobicContact CG-CD1 4.46Å; Y293-L297 PolarHBondContact O-N 3.43Å; Y293-L297 VanDerWaalsContact O-N 3.14Å; Y293-L297 WeakPolarHBondContact OH-CD1 3.39Å; Y293-V335 HydrophobicContact CD2-CG1 4.4Å; Y293-V335 HydrophobicContact CE2-CG1 4.28Å; Y293-V335 WeakPolarHBondContact CE2-O 3.45Å; Y293-F336 WeakPolarHBondContact OH-CA 3.44Å; Y293-F336 PolarHBondContact OH-O 3.15Å; Y293-G339 VanDerWaalsContact CE2-CA 3.43Å |
| 294 | Q | 87.8 | Confident | 89.4 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 34% | 0.341 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 178 | -73.6 | 177.5 | 9.4 | 0 | 0 | 112.5 | D290 H292 T298 | D290-Q294 WeakPolarHBondContact O-CG 3.43Å; D290-Q294 PolarHBondContact O-N 3.39Å; H292-Q294 PolarHBondContact O-N 3.21Å; Q294-T298 WeakPolarHBondContact O-CB 3.19Å; Q294-T298 PolarHBondContact O-N 3.42Å; Q294-T298 PolarHBondContact O-OG1 3.12Å |
| 295 | K | 90.3 | Very high | 89.5 | Confident | 102 Ų | 102 | 41.4 Ų | 41.4 | 44% | 0.443 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.9 | -45.7 | 179.6 | -170.6 | -178 | 178.7 | -176.1 | 0 | 111.8 | F261 S291 H292 Y293 T298 S299 | F261-K295 HydrophobicContact CE1-CD 4.06Å; F261-K295 HydrophobicContact CE1-CG 3.89Å; F261-K295 HydrophobicContact CE2-CD 4.46Å; F261-K295 HydrophobicContact CZ-CB 4.39Å; F261-K295 HydrophobicContact CZ-CD 4Å; F261-K295 HydrophobicContact CZ-CG 3.75Å; S291-K295 VanDerWaalsContact O-CB 3.26Å; S291-K295 WeakPolarHBondContact O-CB 3.48Å; S291-K295 PolarHBondContact O-N 3.28Å; H292-K295 PolarHBondContact O-N 2.99Å; Y293-K295 VanDerWaalsContact C-N 3.34Å; Y293-K295 PolarHBondContact O-N 2.8Å; K295-T298 PolarHBondContact O-N 3.46Å; K295-S299 WeakPolarHBondContact O-CB 3.35Å; K295-S299 PolarHBondContact O-N 3.05Å; K295-S299 PolarHBondContact O-OG 3.33Å |
| 296 | V | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.1 | -51.8 | 176.4 | 169 | 0 | 0 | 0 | 0 | 110.3 | F261 L282 V285 H292 Y293 T298 S299 L300 V335 | F261-V296 HydrophobicContact CE2-CG2 3.73Å; F261-V296 HydrophobicContact CZ-CG2 3.94Å; L282-V296 HydrophobicContact CD2-CG1 3.98Å; V285-V296 HydrophobicContact CG1-CG2 4.08Å; H292-V296 WeakPolarHBondContact O-CB 3.3Å; H292-V296 WeakPolarHBondContact O-CG2 3.22Å; H292-V296 PolarHBondContact O-N 3.25Å; Y293-V296 PolarHBondContact O-N 3.05Å; V296-T298 PolarHBondContact O-N 3.31Å; V296-S299 PolarHBondContact O-N 3.37Å; V296-L300 HydrophobicContact CG1-CD1 3.81Å; V296-L300 HydrophobicContact CG1-CG 4.39Å; V296-L300 WeakPolarHBondContact O-CB 3.36Å; V296-L300 VanDerWaalsContact O-CG 3.27Å; V296-L300 WeakPolarHBondContact O-CG 3.45Å; V296-L300 PolarHBondContact O-N 3.4Å; V296-V335 HydrophobicContact CG1-CG1 4.32Å |
| 297 | L | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | -178.8 | -72.2 | 173.5 | 0 | 0 | 0 | 112.8 | Y293 L300 A301 F332 V335 F336 V361 | Y293-L297 HydrophobicContact CD1-CD1 4.12Å; Y293-L297 HydrophobicContact CD2-CD1 4.29Å; Y293-L297 HydrophobicContact CE1-CD1 3.52Å; Y293-L297 HydrophobicContact CE2-CD1 3.72Å; Y293-L297 HydrophobicContact CG-CD1 4.46Å; Y293-L297 PolarHBondContact O-N 3.43Å; Y293-L297 VanDerWaalsContact O-N 3.14Å; Y293-L297 WeakPolarHBondContact OH-CD1 3.39Å; L297-L300 PolarHBondContact O-N 3.11Å; L297-A301 WeakPolarHBondContact O-CB 3.26Å; L297-A301 PolarHBondContact O-N 2.95Å; L297-F332 HydrophobicContact CB-CD2 4.33Å; L297-F332 HydrophobicContact CB-CE2 3.93Å; L297-F332 HydrophobicContact CD2-CD2 3.67Å; L297-F332 HydrophobicContact CD2-CE2 3.8Å; L297-F332 HydrophobicContact CD2-CG 4.22Å; L297-F332 HydrophobicContact CD2-CZ 4.42Å; L297-F332 WeakPolarHBondContact CD2-O 3.24Å; L297-F332 HydrophobicContact CG-CE2 4.45Å; L297-F332 WeakPolarHBondContact O-CD2 3.47Å; L297-F332 WeakPolarHBondContact O-CE2 3.24Å; L297-V335 HydrophobicContact CD2-CB 3.97Å; L297-V335 HydrophobicContact CD2-CG1 3.88Å; L297-V335 HydrophobicContact CG-CG1 4.17Å; L297-F336 HydrophobicContact CD1-CB 4.4Å; L297-F336 HydrophobicContact CD1-CD2 4.01Å; L297-F336 HydrophobicContact CD2-CB 4.04Å; L297-V361 HydrophobicContact CB-CB 3.86Å; L297-V361 HydrophobicContact CB-CG1 3.9Å; L297-V361 HydrophobicContact CB-CG2 4.26Å; L297-V361 HydrophobicContact CD1-CG1 4.31Å; L297-V361 HydrophobicContact CD1-CG2 4.26Å |
| 298 | T | 92.3 | Very high | 89.9 | Confident | 43 Ų | 43 | 39 Ų | 39 | 26% | 0.264 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 178.9 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | Q294 K295 V296 A301 E302 P364 | Q294-T298 WeakPolarHBondContact O-CB 3.19Å; Q294-T298 PolarHBondContact O-N 3.42Å; Q294-T298 PolarHBondContact O-OG1 3.12Å; K295-T298 PolarHBondContact O-N 3.46Å; V296-T298 PolarHBondContact O-N 3.31Å; T298-A301 WeakPolarHBondContact O-CB 3.35Å; T298-A301 PolarHBondContact O-N 3.25Å; T298-E302 WeakPolarHBondContact O-CG 3.32Å; T298-E302 PolarHBondContact O-N 3.08Å; T298-P364 HydrophobicContact CG2-CG 4.32Å |
| 299 | S | 93.6 | Very high | 90.2 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.6 | -37.2 | 177.6 | -64.3 | 0 | 0 | 0 | 0 | 113 | K295 V296 E302 V303 | K295-S299 WeakPolarHBondContact O-CB 3.35Å; K295-S299 PolarHBondContact O-N 3.05Å; K295-S299 PolarHBondContact O-OG 3.33Å; V296-S299 PolarHBondContact O-N 3.37Å; S299-E302 PolarHBondContact O-N 2.87Å; S299-V303 WeakPolarHBondContact O-CG2 3.47Å; S299-V303 PolarHBondContact O-N 3.24Å; S299-V303 VanDerWaalsContact O-N 3.13Å |
| 300 | L | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 172.3 | -71.7 | 172 | 0 | 0 | 0 | 111.3 | I265 T268 L282 V296 L297 V303 A304 I328 I331 F332 | I265-L300 HydrophobicContact CD1-CD2 4.13Å; I265-L300 HydrophobicContact CD1-CG 4.18Å; I265-L300 HydrophobicContact CG2-CD2 4.33Å; T268-L300 HydrophobicContact CG2-CD2 3.8Å; L282-L300 HydrophobicContact CD1-CD2 4.48Å; V296-L300 HydrophobicContact CG1-CD1 3.81Å; V296-L300 HydrophobicContact CG1-CG 4.39Å; V296-L300 WeakPolarHBondContact O-CB 3.36Å; V296-L300 VanDerWaalsContact O-CG 3.27Å; V296-L300 WeakPolarHBondContact O-CG 3.45Å; V296-L300 PolarHBondContact O-N 3.4Å; L297-L300 PolarHBondContact O-N 3.11Å; L300-V303 PolarHBondContact O-N 3.37Å; L300-A304 WeakPolarHBondContact O-CB 3.5Å; L300-A304 PolarHBondContact O-N 3.03Å; L300-I328 HydrophobicContact CB-CG2 4.34Å; L300-I328 HydrophobicContact CD2-CG2 4.22Å; L300-I328 WeakPolarHBondContact O-CG2 3.37Å; L300-I331 HydrophobicContact CD1-CG2 4.12Å; L300-F332 HydrophobicContact CB-CB 4.27Å; L300-F332 HydrophobicContact CB-CD2 4.03Å; L300-F332 HydrophobicContact CD1-CB 4.38Å |
| 301 | A | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L297 T298 V303 A304 T305 F332 V361 P364 L365 | L297-A301 WeakPolarHBondContact O-CB 3.26Å; L297-A301 PolarHBondContact O-N 2.95Å; T298-A301 WeakPolarHBondContact O-CB 3.35Å; T298-A301 PolarHBondContact O-N 3.25Å; A301-V303 PolarHBondContact O-N 3.14Å; A301-A304 PolarHBondContact O-N 3.03Å; A301-T305 WeakPolarHBondContact O-CB 3.1Å; A301-T305 PolarHBondContact O-N 2.75Å; A301-T305 PolarHBondContact O-OG1 3.05Å; A301-F332 HydrophobicContact CB-CD2 4.35Å; A301-F332 HydrophobicContact CB-CE2 3.96Å; A301-V361 WeakPolarHBondContact CB-O 3.44Å; A301-P364 HydrophobicContact CB-CB 3.98Å; A301-P364 HydrophobicContact CB-CG 3.97Å; A301-L365 HydrophobicContact CB-CD1 4.22Å; A301-L365 HydrophobicContact CB-CG 3.97Å |
| 302 | E | 94 | Very high | 90.5 | Very high | 98 Ų | 98 | 33 Ų | 33 | 46% | 0.458 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 176.5 | -73.3 | 169.5 | 175.1 | 0 | 0 | 112.9 | T298 S299 T305 T306 P364 | T298-E302 WeakPolarHBondContact O-CG 3.32Å; T298-E302 PolarHBondContact O-N 3.08Å; S299-E302 PolarHBondContact O-N 2.87Å; E302-T305 PolarHBondContact O-N 3.5Å; E302-T306 PolarHBondContact O-N 3.2Å; E302-T306 PolarHBondContact O-OG1 3.46Å; E302-P364 HydrophobicContact CG-CB 4.03Å; E302-P364 HydrophobicContact CG-CG 3.96Å |
| 303 | V | 93.8 | Very high | 90.3 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 10% | 0.097 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.3 | -40.9 | 177.3 | 178.7 | 0 | 0 | 0 | 0 | 111 | I265 Q269 S299 L300 A301 T306 N307 I328 | I265-V303 HydrophobicContact CG2-CG2 3.76Å; Q269-V303 HydrophobicContact CG-CG1 3.82Å; S299-V303 WeakPolarHBondContact O-CG2 3.47Å; S299-V303 PolarHBondContact O-N 3.24Å; S299-V303 VanDerWaalsContact O-N 3.13Å; L300-V303 PolarHBondContact O-N 3.37Å; A301-V303 PolarHBondContact O-N 3.14Å; V303-T306 PolarHBondContact O-N 3.45Å; V303-N307 PolarHBondContact O-N 3.17Å; V303-I328 HydrophobicContact CG1-CD1 3.7Å |
| 304 | A | 93.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L300 A301 T306 N307 G308 L325 I328 V329 L365 | L300-A304 WeakPolarHBondContact O-CB 3.5Å; L300-A304 PolarHBondContact O-N 3.03Å; A301-A304 PolarHBondContact O-N 3.03Å; A304-T306 VanDerWaalsContact C-N 3.34Å; A304-T306 PolarHBondContact O-N 3.25Å; A304-N307 PolarHBondContact O-N 3.05Å; A304-G308 PolarHBondContact O-N 2.6Å; A304-L325 HydrophobicContact CB-CD1 4.13Å; A304-L325 VanDerWaalsContact O-CD1 3.25Å; A304-L325 WeakPolarHBondContact O-CD1 3.4Å; A304-I328 HydrophobicContact CB-CB 4.42Å; A304-I328 HydrophobicContact CB-CG2 3.83Å; A304-V329 HydrophobicContact CB-CG2 4.05Å; A304-L365 HydrophobicContact CB-CD2 3.8Å |
| 305 | T | 92.9 | Very high | 88.8 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 8% | 0.08 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -46.8 | 175 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | A301 E302 N307 G308 H309 P364 L365 L368 | A301-T305 WeakPolarHBondContact O-CB 3.1Å; A301-T305 PolarHBondContact O-N 2.75Å; A301-T305 PolarHBondContact O-OG1 3.05Å; E302-T305 PolarHBondContact O-N 3.5Å; T305-N307 PolarHBondContact O-N 3.47Å; T305-G308 PolarHBondContact O-N 2.97Å; T305-H309 PolarHBondContact O-N 3.29Å; T305-H309 PolarHBondContact O-ND1 3.19Å; T305-P364 WeakPolarHBondContact CG2-O 3.44Å; T305-P364 PolarHBondContact OG1-O 3.02Å; T305-L365 WeakPolarHBondContact OG1-CA 3.29Å; T305-L365 PolarHBondContact OG1-N 3.09Å; T305-L368 HydrophobicContact CG2-CB 4.28Å |
| 306 | T | 91.9 | Very high | 88.3 | Confident | 73 Ų | 73 | 32.6 Ų | 32.6 | 45% | 0.448 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.7 | -45.6 | 179.5 | -56.1 | 0 | 0 | 0 | 0 | 112 | E302 V303 A304 K310 | E302-T306 PolarHBondContact O-N 3.2Å; E302-T306 PolarHBondContact O-OG1 3.46Å; V303-T306 PolarHBondContact O-N 3.45Å; A304-T306 VanDerWaalsContact C-N 3.34Å; A304-T306 PolarHBondContact O-N 3.25Å; T306-K310 WeakPolarHBondContact O-CG 2.99Å; T306-K310 PolarHBondContact O-N 3.13Å; T306-K310 VanDerWaalsContact O-N 3.07Å |
| 307 | N | 89.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.8 | -33.5 | 178.1 | -73.1 | -20.3 | 0 | 0 | 0 | 112.4 | Q269 V303 A304 T305 K310 L311 Q321 S324 I328 | Q269-N307 PolarHBondContact OE1-ND2 3.2Å; Q269-N307 PolarHBondContact OE1-OD1 2.86Å; V303-N307 PolarHBondContact O-N 3.17Å; A304-N307 PolarHBondContact O-N 3.05Å; T305-N307 PolarHBondContact O-N 3.47Å; N307-K310 PolarHBondContact O-N 3.24Å; N307-K310 PolarHBondContact OD1-NZ 2.91Å; N307-L311 WeakPolarHBondContact O-CB 3.33Å; N307-L311 PolarHBondContact O-N 3.22Å; N307-Q321 PolarHBondContact OD1-OE1 3.38Å; N307-Q321 VanDerWaalsContact OD1-OE1 3.04Å; N307-S324 PolarHBondContact ND2-OG 3.42Å; N307-I328 WeakPolarHBondContact ND2-CD1 3.48Å |
| 308 | G | 89.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.2 | -48.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A304 T305 K310 L311 L312 L368 | A304-G308 PolarHBondContact O-N 2.6Å; T305-G308 PolarHBondContact O-N 2.97Å; G308-K310 VanDerWaalsContact C-N 3.35Å; G308-K310 PolarHBondContact O-N 3.33Å; G308-L311 WeakPolarHBondContact O-CA 3.4Å; G308-L311 WeakPolarHBondContact O-CB 3.12Å; G308-L311 PolarHBondContact O-N 2.94Å; G308-L312 WeakPolarHBondContact O-CG 3.48Å; G308-L312 PolarHBondContact O-N 3.41Å; G308-L368 VanDerWaalsContact C-CD1 3.49Å |
| 309 | H | 89.3 | Confident | 87.1 | Confident | 69 Ų | 69 | 40 Ų | 40 | 32% | 0.319 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.5 | -37.1 | 176.4 | -74.7 | 129.2 | 0 | 0 | 0 | 112.7 | T305 L311 L312 S313 S371 | T305-H309 PolarHBondContact O-N 3.29Å; T305-H309 PolarHBondContact O-ND1 3.19Å; H309-L311 VanDerWaalsContact C-N 3.28Å; H309-L311 PolarHBondContact O-N 2.83Å; H309-L312 PolarHBondContact O-N 3.43Å; H309-S313 PolarHBondContact O-N 3.17Å; H309-S313 VanDerWaalsContact O-N 3.14Å; H309-S371 PolarHBondContact NE2-OG 2.97Å |
| 310 | K | 87.9 | Confident | 86.7 | Confident | 89 Ų | 89 | 41.2 Ų | 41.2 | 39% | 0.387 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 170.2 | -73.6 | 173.5 | -171.6 | 165.7 | 0 | 111.3 | T306 N307 G308 L312 S313 S316 Q321 | T306-K310 WeakPolarHBondContact O-CG 2.99Å; T306-K310 PolarHBondContact O-N 3.13Å; T306-K310 VanDerWaalsContact O-N 3.07Å; N307-K310 PolarHBondContact O-N 3.24Å; N307-K310 PolarHBondContact OD1-NZ 2.91Å; G308-K310 VanDerWaalsContact C-N 3.35Å; G308-K310 PolarHBondContact O-N 3.33Å; K310-L312 VanDerWaalsContact C-N 3.33Å; K310-L312 PolarHBondContact O-N 3.37Å; K310-S313 WeakPolarHBondContact O-CA 3.47Å; K310-S313 WeakPolarHBondContact O-CB 3.48Å; K310-S313 PolarHBondContact O-N 2.66Å; K310-S316 VanDerWaalsContact O-CB 3.31Å; K310-S316 WeakPolarHBondContact O-CB 3.48Å; K310-S316 PolarHBondContact O-OG 2.9Å; K310-Q321 HydrophobicContact CB-CG 4.3Å |
| 311 | L | 85.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66 | -36.1 | 179.3 | -162.8 | 65.8 | 0 | 0 | 0 | 112.1 | N307 G308 H309 S313 Y318 Q321 M322 L325 R439 A442 V443 | N307-L311 WeakPolarHBondContact O-CB 3.33Å; N307-L311 PolarHBondContact O-N 3.22Å; G308-L311 WeakPolarHBondContact O-CA 3.4Å; G308-L311 WeakPolarHBondContact O-CB 3.12Å; G308-L311 PolarHBondContact O-N 2.94Å; H309-L311 VanDerWaalsContact C-N 3.28Å; H309-L311 PolarHBondContact O-N 2.83Å; L311-S313 PolarHBondContact O-N 3.28Å; L311-Y318 HydrophobicContact CD1-CD2 3.96Å; L311-Q321 HydrophobicContact CB-CB 4.4Å; L311-Q321 HydrophobicContact CD1-CB 3.69Å; L311-M322 HydrophobicContact CD1-CB 4.35Å; L311-L325 HydrophobicContact CD2-CD2 3.98Å; L311-R439 HydrophobicContact CD1-CG 4.24Å; L311-R439 HydrophobicContact CG-CB 4.17Å; L311-R439 HydrophobicContact CG-CG 4.37Å; L311-R439 WeakPolarHBondContact O-CB 3.38Å; L311-R439 WeakPolarHBondContact O-CD 3.42Å; L311-R439 PolarHBondContact O-NH1 3.38Å; L311-A442 HydrophobicContact CD2-CB 3.65Å; L311-V443 HydrophobicContact CB-CG2 4.37Å; L311-V443 HydrophobicContact CD2-CG2 3.87Å; L311-V443 HydrophobicContact CG-CG2 4.42Å |
| 312 | L | 84.1 | Confident | 86.2 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.9 | -20.6 | 171.5 | -62.9 | 178.4 | 0 | 0 | 0 | 112.9 | G308 H309 K310 L368 L440 V443 | G308-L312 WeakPolarHBondContact O-CG 3.48Å; G308-L312 PolarHBondContact O-N 3.41Å; H309-L312 PolarHBondContact O-N 3.43Å; K310-L312 VanDerWaalsContact C-N 3.33Å; K310-L312 PolarHBondContact O-N 3.37Å; L312-L368 HydrophobicContact CD1-CD1 3.86Å; L312-L440 HydrophobicContact CD2-CD2 3.42Å; L312-L440 VanDerWaalsContact CD2-CD2 3.42Å; L312-V443 HydrophobicContact CD2-CG2 3.96Å; L312-V443 HydrophobicContact CG-CG2 4.32Å |
| 313 | S | 81.3 | Confident | 86 | Confident | 49 Ų | 49 | 43.2 Ų | 43.2 | 34% | 0.343 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -86.5 | 133.9 | 171.5 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | H309 K310 L311 S315 S316 R439 | H309-S313 PolarHBondContact O-N 3.17Å; H309-S313 VanDerWaalsContact O-N 3.14Å; K310-S313 WeakPolarHBondContact O-CA 3.47Å; K310-S313 WeakPolarHBondContact O-CB 3.48Å; K310-S313 PolarHBondContact O-N 2.66Å; L311-S313 PolarHBondContact O-N 3.28Å; S313-S315 PolarHBondContact O-N 3.13Å; S313-S315 PolarHBondContact OG-N 3.47Å; S313-S315 PolarHBondContact OG-OG 3.33Å; S313-S316 PolarHBondContact O-OG 3.39Å; S313-R439 PolarHBondContact O-NH1 3.47Å |
| 314 | L | 71.4 | Confident | 85.9 | Confident | 73 Ų | 73 | 42.7 Ų | 42.7 | 38% | 0.382 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -13.6 | 174.8 | -68.3 | 179.7 | 0 | 0 | 0 | 114 | S316 L403 T436 | L314-S316 VanDerWaalsContact C-N 3.31Å; L314-S316 PolarHBondContact O-N 2.97Å; L314-L403 HydrophobicContact CD1-CB 3.84Å; L314-L403 HydrophobicContact CD1-CD1 3.97Å; L314-L403 HydrophobicContact CD1-CD2 3.94Å; L314-L403 HydrophobicContact CD1-CG 4.15Å; L314-L403 HydrophobicContact CG-CD2 4.01Å; L314-T436 HydrophobicContact CD2-CG2 3.79Å |
| 315 | S | 72.9 | Confident | 85.9 | Confident | 110 Ų | 110 | 42.6 Ų | 42.6 | 77% | 0.769 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -11.5 | -176.5 | 63.9 | 0 | 0 | 0 | 0 | 114.6 | S313 | S313-S315 PolarHBondContact O-N 3.13Å; S313-S315 PolarHBondContact OG-N 3.47Å; S313-S315 PolarHBondContact OG-OG 3.33Å |
| 316 | S | 80.1 | Confident | 85.8 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -98.6 | 153.8 | -175.2 | 71.3 | 0 | 0 | 0 | 0 | 112 | K310 S313 L314 Y318 R439 | K310-S316 VanDerWaalsContact O-CB 3.31Å; K310-S316 WeakPolarHBondContact O-CB 3.48Å; K310-S316 PolarHBondContact O-OG 2.9Å; S313-S316 PolarHBondContact O-OG 3.39Å; L314-S316 VanDerWaalsContact C-N 3.31Å; L314-S316 PolarHBondContact O-N 2.97Å; S316-Y318 PolarHBondContact O-N 2.87Å; S316-R439 PolarHBondContact O-NH1 3.3Å; S316-R439 PolarHBondContact O-NH2 2.76Å; S316-R439 PolarHBondContact OG-NH1 3.13Å; S316-R439 VanDerWaalsContact OG-NH1 3.08Å |
| 317 | S | 82.9 | Confident | 85.9 | Confident | 66 Ų | 66 | 39.9 Ų | 39.9 | 46% | 0.462 | 22% | 0.221 | S | C | . | . | trans | -65.6 | 121 | 169.9 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | Q321 | S317-Q321 WeakPolarHBondContact O-CB 3.27Å; S317-Q321 VanDerWaalsContact O-CG 3.24Å; S317-Q321 WeakPolarHBondContact O-CG 3.28Å; S317-Q321 PolarHBondContact O-N 3.3Å | ||
| 318 | Y | 83.4 | Confident | 86.1 | Confident | 57 Ų | 57 | 39.9 Ų | 39.9 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -53.4 | 179.4 | 162.5 | -110.1 | 0 | 0 | 0 | 111.8 | L311 S316 A320 Q321 M322 N438 R439 H489 | L311-Y318 HydrophobicContact CD1-CD2 3.96Å; S316-Y318 PolarHBondContact O-N 2.87Å; Y318-A320 PolarHBondContact O-N 2.94Å; Y318-Q321 PolarHBondContact O-N 2.91Å; Y318-M322 HydrophobicContact CD2-CB 4.36Å; Y318-M322 HydrophobicContact CE1-SD 4.11Å; Y318-M322 HydrophobicContact CE2-CB 4.09Å; Y318-M322 HydrophobicContact CE2-CG 4.32Å; Y318-M322 HydrophobicContact CE2-SD 3.93Å; Y318-M322 WeakPolarHBondContact O-CB 3.25Å; Y318-M322 PolarHBondContact O-N 3.14Å; Y318-M322 PolarHBondContact OH-SD 3.01Å; Y318-N438 HydrophobicContact CE1-CB 4.3Å; Y318-N438 HydrophobicContact CE2-CB 3.79Å; Y318-N438 WeakPolarHBondContact CE2-O 3.39Å; Y318-R439 HydrophobicContact CD2-CB 4.45Å; Y318-R439 HydrophobicContact CD2-CG 3.62Å; Y318-R439 HydrophobicContact CE2-CG 4.39Å; Y318-R439 HydrophobicContact CG-CG 4.37Å; Y318-H489 PolarHBondContact OH-NE2 3.35Å |
| 319 | D | 83.8 | Confident | 86.3 | Confident | 75 Ų | 75 | 40 Ų | 40 | 40% | 0.401 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.1 | -49.6 | -171.4 | -174 | 63.1 | 0 | 0 | 0 | 112 | M322 K323 | D319-M322 PolarHBondContact O-N 3.47Å; D319-K323 WeakPolarHBondContact O-CB 3.39Å; D319-K323 WeakPolarHBondContact O-CG 3.45Å; D319-K323 PolarHBondContact O-N 3.43Å; D319-K323 WeakPolarHBondContact OD1-CE 3.37Å; D319-K323 IonicContact OD1-NZ 2.84Å; D319-K323 PolarHBondContact OD1-NZ 3.45Å; D319-K323 WeakPolarHBondContact OD2-CE 3.34Å; D319-K323 IonicContact OD2-NZ 3.26Å; D319-K323 PolarHBondContact OD2-NZ 2.8Å |
| 320 | A | 85.3 | Confident | 86.5 | Confident | 40 Ų | 40 | 41 Ų | 41 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.9 | -43.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y318 S324 | Y318-A320 PolarHBondContact O-N 2.94Å; A320-S324 WeakPolarHBondContact O-CB 3.34Å; A320-S324 PolarHBondContact O-N 3.08Å; A320-S324 VanDerWaalsContact O-N 3.08Å |
| 321 | Q | 88.5 | Confident | 86.6 | Confident | 35 Ų | 35 | 36.8 Ų | 36.8 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72 | -37.6 | -179.1 | -65.3 | -51.9 | -53.6 | 0 | 0 | 112.1 | N307 K310 L311 S317 Y318 L325 | N307-Q321 PolarHBondContact OD1-OE1 3.38Å; N307-Q321 VanDerWaalsContact OD1-OE1 3.04Å; K310-Q321 HydrophobicContact CB-CG 4.3Å; L311-Q321 HydrophobicContact CB-CB 4.4Å; L311-Q321 HydrophobicContact CD1-CB 3.69Å; S317-Q321 WeakPolarHBondContact O-CB 3.27Å; S317-Q321 VanDerWaalsContact O-CG 3.24Å; S317-Q321 WeakPolarHBondContact O-CG 3.28Å; S317-Q321 PolarHBondContact O-N 3.3Å; Y318-Q321 PolarHBondContact O-N 2.91Å; Q321-L325 VanDerWaalsContact O-CB 3.24Å; Q321-L325 WeakPolarHBondContact O-CB 3.19Å; Q321-L325 PolarHBondContact O-N 2.9Å |
| 322 | M | 89.9 | Confident | 87 | Confident | 26 Ų | 26 | 36.8 Ų | 36.8 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -55.5 | 175.1 | 172.5 | -163.9 | 70.5 | 0 | 0 | 111 | L311 Y318 D319 S324 L325 L326 A442 H489 | L311-M322 HydrophobicContact CD1-CB 4.35Å; Y318-M322 HydrophobicContact CD2-CB 4.36Å; Y318-M322 HydrophobicContact CE1-SD 4.11Å; Y318-M322 HydrophobicContact CE2-CB 4.09Å; Y318-M322 HydrophobicContact CE2-CG 4.32Å; Y318-M322 HydrophobicContact CE2-SD 3.93Å; Y318-M322 WeakPolarHBondContact O-CB 3.25Å; Y318-M322 PolarHBondContact O-N 3.14Å; Y318-M322 PolarHBondContact OH-SD 3.01Å; D319-M322 PolarHBondContact O-N 3.47Å; M322-S324 VanDerWaalsContact C-N 3.31Å; M322-S324 PolarHBondContact O-N 3.46Å; M322-L325 PolarHBondContact O-N 3.32Å; M322-L326 HydrophobicContact CG-CD1 4.03Å; M322-L326 WeakPolarHBondContact O-CG 3.4Å; M322-L326 PolarHBondContact O-N 2.95Å; M322-A442 HydrophobicContact CB-CB 4.37Å; M322-A442 HydrophobicContact CG-CB 3.79Å; M322-H489 VanDerWaalsContact SD-CE1 3.59Å |
| 323 | K | 88.9 | Confident | 87.3 | Confident | 79 Ų | 79 | 36.7 Ų | 36.7 | 34% | 0.343 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.8 | -43.9 | -178.8 | -73.2 | 174 | 179.7 | 165.8 | 0 | 111.2 | E271 D319 R327 | E271-K323 WeakPolarHBondContact OE1-CB 3.4Å; E271-K323 WeakPolarHBondContact OE1-CD 3.07Å; E271-K323 IonicContact OE2-NZ 2.76Å; D319-K323 WeakPolarHBondContact O-CB 3.39Å; D319-K323 WeakPolarHBondContact O-CG 3.45Å; D319-K323 PolarHBondContact O-N 3.43Å; D319-K323 WeakPolarHBondContact OD1-CE 3.37Å; D319-K323 IonicContact OD1-NZ 2.84Å; D319-K323 PolarHBondContact OD1-NZ 3.45Å; D319-K323 WeakPolarHBondContact OD2-CE 3.34Å; D319-K323 IonicContact OD2-NZ 3.26Å; D319-K323 PolarHBondContact OD2-NZ 2.8Å; K323-R327 WeakPolarHBondContact O-CB 3.46Å; K323-R327 PolarHBondContact O-N 2.97Å |
| 324 | S | 91 | Very high | 87.7 | Confident | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.2 | -50.8 | 176 | -169.8 | 0 | 0 | 0 | 0 | 112.3 | Q269 N307 A320 M322 R327 I328 | Q269-S324 WeakPolarHBondContact CA-OG 3.36Å; Q269-S324 WeakPolarHBondContact CB-OG 3.47Å; Q269-S324 WeakPolarHBondContact CG-OG 3.18Å; N307-S324 PolarHBondContact ND2-OG 3.42Å; A320-S324 WeakPolarHBondContact O-CB 3.34Å; A320-S324 PolarHBondContact O-N 3.08Å; A320-S324 VanDerWaalsContact O-N 3.08Å; M322-S324 VanDerWaalsContact C-N 3.31Å; M322-S324 PolarHBondContact O-N 3.46Å; S324-R327 PolarHBondContact O-N 3.34Å; S324-I328 WeakPolarHBondContact O-CD1 3.41Å; S324-I328 WeakPolarHBondContact O-CG1 3.33Å; S324-I328 PolarHBondContact O-N 2.83Å |
| 325 | L | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.6 | -54.1 | 179.9 | 174.8 | 64.3 | 0 | 0 | 0 | 111.7 | A304 L311 Q321 M322 R327 I328 V329 V443 A446 | A304-L325 HydrophobicContact CB-CD1 4.13Å; A304-L325 VanDerWaalsContact O-CD1 3.25Å; A304-L325 WeakPolarHBondContact O-CD1 3.4Å; L311-L325 HydrophobicContact CD2-CD2 3.98Å; Q321-L325 VanDerWaalsContact O-CB 3.24Å; Q321-L325 WeakPolarHBondContact O-CB 3.19Å; Q321-L325 PolarHBondContact O-N 2.9Å; M322-L325 PolarHBondContact O-N 3.32Å; L325-R327 VanDerWaalsContact C-N 3.27Å; L325-R327 PolarHBondContact O-N 3.41Å; L325-I328 PolarHBondContact O-N 3.24Å; L325-V329 HydrophobicContact CD1-CG2 4.03Å; L325-V329 VanDerWaalsContact O-CG2 3.31Å; L325-V329 WeakPolarHBondContact O-CG2 3.32Å; L325-V329 PolarHBondContact O-N 2.97Å; L325-V443 HydrophobicContact CD2-CG2 4.19Å; L325-A446 HydrophobicContact CD1-CB 4.5Å; L325-A446 HydrophobicContact CD2-CB 4.08Å; L325-A446 HydrophobicContact CG-CB 4.14Å |
| 326 | L | 91.7 | Very high | 89.3 | Confident | 13 Ų | 13 | 28.9 Ų | 28.9 | 7% | 0.068 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62 | -38.1 | -177.3 | -65.9 | 178.9 | 0 | 0 | 0 | 111.3 | M322 V329 R330 Q445 A446 M449 | M322-L326 HydrophobicContact CG-CD1 4.03Å; M322-L326 WeakPolarHBondContact O-CG 3.4Å; M322-L326 PolarHBondContact O-N 2.95Å; L326-V329 PolarHBondContact O-N 3.01Å; L326-R330 WeakPolarHBondContact O-CB 3.38Å; L326-R330 WeakPolarHBondContact O-CG 3.48Å; L326-R330 PolarHBondContact O-N 2.75Å; L326-Q445 HydrophobicContact CD2-CB 4.11Å; L326-Q445 HydrophobicContact CD2-CG 3.92Å; L326-A446 HydrophobicContact CD2-CB 4.33Å; L326-M449 HydrophobicContact CD2-SD 4.23Å |
| 327 | R | 92.8 | Very high | 89.6 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 6% | 0.064 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -47.9 | 174.7 | 176.2 | 171.9 | 168.2 | 150.2 | -2.1 | 112.5 | T268 N270 E271 V273 E275 K323 S324 L325 V329 R330 I331 | T268-R327 WeakPolarHBondContact O-CD 3.4Å; T268-R327 PolarHBondContact O-NE 2.82Å; T268-R327 VanDerWaalsContact O-NE 3.14Å; N270-R327 PolarHBondContact O-NH1 2.88Å; N270-R327 VanDerWaalsContact O-NH1 3.14Å; N270-R327 PolarHBondContact O-NH2 3.05Å; E271-R327 PolarHBondContact O-NH1 3.03Å; V273-R327 PolarHBondContact O-NH1 3.04Å; V273-R327 PolarHBondContact O-NH2 2.81Å; E275-R327 HydrophobicContact CG-CG 4.21Å; K323-R327 WeakPolarHBondContact O-CB 3.46Å; K323-R327 PolarHBondContact O-N 2.97Å; S324-R327 PolarHBondContact O-N 3.34Å; L325-R327 VanDerWaalsContact C-N 3.27Å; L325-R327 PolarHBondContact O-N 3.41Å; R327-V329 VanDerWaalsContact C-N 3.34Å; R327-V329 PolarHBondContact O-N 3.29Å; R327-R330 PolarHBondContact O-N 3.48Å; R327-I331 HydrophobicContact CG-CD1 4.17Å; R327-I331 WeakPolarHBondContact O-CG1 3.38Å; R327-I331 PolarHBondContact O-N 3.31Å |
| 328 | I | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 177.4 | -62.8 | 155.5 | 0 | 0 | 0 | 110.3 | Q269 L300 V303 A304 N307 S324 L325 R330 I331 F332 | Q269-I328 HydrophobicContact CG-CD1 3.88Å; L300-I328 HydrophobicContact CB-CG2 4.34Å; L300-I328 HydrophobicContact CD2-CG2 4.22Å; L300-I328 WeakPolarHBondContact O-CG2 3.37Å; V303-I328 HydrophobicContact CG1-CD1 3.7Å; A304-I328 HydrophobicContact CB-CB 4.42Å; A304-I328 HydrophobicContact CB-CG2 3.83Å; N307-I328 WeakPolarHBondContact ND2-CD1 3.48Å; S324-I328 WeakPolarHBondContact O-CD1 3.41Å; S324-I328 WeakPolarHBondContact O-CG1 3.33Å; S324-I328 PolarHBondContact O-N 2.83Å; L325-I328 PolarHBondContact O-N 3.24Å; I328-R330 PolarHBondContact O-N 3.01Å; I328-I331 PolarHBondContact O-N 2.9Å; I328-F332 WeakPolarHBondContact O-CB 3.23Å; I328-F332 PolarHBondContact O-N 3.36Å |
| 329 | V | 93.3 | Very high | 89 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.8 | -37.9 | -178.9 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | A304 L325 L326 R327 F332 C333 A446 M449 | A304-V329 HydrophobicContact CB-CG2 4.05Å; L325-V329 HydrophobicContact CD1-CG2 4.03Å; L325-V329 VanDerWaalsContact O-CG2 3.31Å; L325-V329 WeakPolarHBondContact O-CG2 3.32Å; L325-V329 PolarHBondContact O-N 2.97Å; L326-V329 PolarHBondContact O-N 3.01Å; R327-V329 VanDerWaalsContact C-N 3.34Å; R327-V329 PolarHBondContact O-N 3.29Å; V329-F332 PolarHBondContact O-N 3.12Å; V329-C333 WeakPolarHBondContact O-CB 3.45Å; V329-C333 PolarHBondContact O-N 2.89Å; V329-C333 PolarHBondContact O-SG 3.41Å; V329-A446 HydrophobicContact CG1-CB 4.45Å; V329-A446 HydrophobicContact CG2-CB 4.04Å; V329-M449 HydrophobicContact CB-CE 4.32Å; V329-M449 HydrophobicContact CG1-CB 3.9Å; V329-M449 HydrophobicContact CG1-CE 3.95Å; V329-M449 HydrophobicContact CG1-SD 4.35Å |
| 330 | R | 93.1 | Very high | 87.9 | Confident | 91 Ų | 91 | 32.7 Ų | 32.7 | 34% | 0.343 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.1 | -49.6 | 171 | -81 | -167.5 | -62.1 | -96.2 | 3.6 | 111.9 | E275 L326 R327 I328 C333 H334 M449 | E275-R330 WeakPolarHBondContact OE1-CB 3.43Å; E275-R330 IonicContact OE1-NE 2.82Å; E275-R330 PolarHBondContact OE1-NE 3.4Å; E275-R330 VanDerWaalsContact OE1-NE 3.08Å; E275-R330 IonicContact OE2-CZ 2.73Å; E275-R330 IonicContact OE2-NE 3.25Å; E275-R330 PolarHBondContact OE2-NE 3.29Å; E275-R330 VanDerWaalsContact OE2-NE 3.13Å; E275-R330 IonicContact OE2-NH2 3.5Å; E275-R330 PolarHBondContact OE2-NH2 2.93Å; L326-R330 WeakPolarHBondContact O-CB 3.38Å; L326-R330 WeakPolarHBondContact O-CG 3.48Å; L326-R330 PolarHBondContact O-N 2.75Å; R327-R330 PolarHBondContact O-N 3.48Å; I328-R330 PolarHBondContact O-N 3.01Å; R330-C333 PolarHBondContact O-N 3.27Å; R330-H334 WeakPolarHBondContact O-CB 3.26Å; R330-H334 PolarHBondContact O-N 2.9Å; R330-M449 HydrophobicContact CB-CE 4.07Å; R330-M449 HydrophobicContact CG-CE 3.23Å |
| 331 | I | 91.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 178.9 | -65.8 | 168.5 | 0 | 0 | 0 | 110.4 | T268 E275 L278 R279 L282 L300 R327 I328 C333 H334 V335 | T268-I331 HydrophobicContact CG2-CD1 4.08Å; E275-I331 HydrophobicContact CG-CD1 4.14Å; E275-I331 HydrophobicContact CG-CG1 4.03Å; L278-I331 HydrophobicContact CB-CD1 4.38Å; R279-I331 HydrophobicContact CG-CG1 4.03Å; L282-I331 HydrophobicContact CD1-CG2 3.48Å; L282-I331 VanDerWaalsContact CD1-CG2 3.48Å; L300-I331 HydrophobicContact CD1-CG2 4.12Å; R327-I331 HydrophobicContact CG-CD1 4.17Å; R327-I331 WeakPolarHBondContact O-CG1 3.38Å; R327-I331 PolarHBondContact O-N 3.31Å; I328-I331 PolarHBondContact O-N 2.9Å; I331-C333 PolarHBondContact O-N 3.44Å; I331-H334 WeakPolarHBondContact O-CB 3.26Å; I331-H334 PolarHBondContact O-N 3.33Å; I331-V335 HydrophobicContact CG2-CG2 4.46Å; I331-V335 WeakPolarHBondContact O-CG2 3.24Å; I331-V335 PolarHBondContact O-N 2.83Å |
| 332 | F | 93.5 | Very high | 84.3 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.5 | -49.5 | 176.3 | 171.5 | -84.6 | 0 | 0 | 0 | 111.5 | L297 L300 A301 I328 V329 H334 V335 F336 V361 F362 L365 | L297-F332 HydrophobicContact CB-CD2 4.33Å; L297-F332 HydrophobicContact CB-CE2 3.93Å; L297-F332 HydrophobicContact CD2-CD2 3.67Å; L297-F332 HydrophobicContact CD2-CE2 3.8Å; L297-F332 HydrophobicContact CD2-CG 4.22Å; L297-F332 HydrophobicContact CD2-CZ 4.42Å; L297-F332 WeakPolarHBondContact CD2-O 3.24Å; L297-F332 HydrophobicContact CG-CE2 4.45Å; L297-F332 WeakPolarHBondContact O-CD2 3.47Å; L297-F332 WeakPolarHBondContact O-CE2 3.24Å; L300-F332 HydrophobicContact CB-CB 4.27Å; L300-F332 HydrophobicContact CB-CD2 4.03Å; L300-F332 HydrophobicContact CD1-CB 4.38Å; A301-F332 HydrophobicContact CB-CD2 4.35Å; A301-F332 HydrophobicContact CB-CE2 3.96Å; I328-F332 WeakPolarHBondContact O-CB 3.23Å; I328-F332 PolarHBondContact O-N 3.36Å; V329-F332 PolarHBondContact O-N 3.12Å; F332-H334 VanDerWaalsContact C-N 3.3Å; F332-H334 PolarHBondContact O-N 3.22Å; F332-V335 PolarHBondContact O-N 3.42Å; F332-F336 VanDerWaalsContact O-CB 3.26Å; F332-F336 WeakPolarHBondContact O-CB 3.35Å; F332-F336 PolarHBondContact O-N 2.7Å; F332-V361 HydrophobicContact CE2-CG2 4.38Å; F332-V361 HydrophobicContact CZ-CG2 4.09Å; F332-F362 AromaticContact CE1-CD1 3.98Å; F332-F362 HydrophobicContact CE1-CD1 3.98Å; F332-F362 AromaticContact CE1-CE1 3.37Å; F332-F362 HydrophobicContact CE1-CE1 3.37Å; F332-F362 HydrophobicContact CE1-CE2 4.47Å; F332-F362 AromaticContact CE1-CZ 3.65Å; F332-F362 HydrophobicContact CE1-CZ 3.65Å; F332-F362 AromaticContact CZ-CD1 3.95Å; F332-F362 HydrophobicContact CZ-CD1 3.95Å; F332-F362 HydrophobicContact CZ-CD2 4.5Å; F332-F362 AromaticContact CZ-CE1 3.73Å; F332-F362 HydrophobicContact CZ-CE1 3.73Å; F332-F362 HydrophobicContact CZ-CE2 4.29Å; F332-F362 HydrophobicContact CZ-CG 4.34Å; F332-F362 AromaticContact CZ-CZ 3.9Å; F332-F362 HydrophobicContact CZ-CZ 3.9Å; F332-L365 HydrophobicContact CE1-CD1 4.15Å; F332-L365 HydrophobicContact CZ-CD1 4.14Å |
| 333 | C | 90.9 | Very high | 82.3 | Confident | 12 Ų | 12 | 38.8 Ų | 38.8 | 8% | 0.081 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 179.4 | -69 | 0 | 0 | 0 | 0 | 112 | V329 R330 I331 R337 M449 C453 | V329-C333 WeakPolarHBondContact O-CB 3.45Å; V329-C333 PolarHBondContact O-N 2.89Å; V329-C333 PolarHBondContact O-SG 3.41Å; R330-C333 PolarHBondContact O-N 3.27Å; I331-C333 PolarHBondContact O-N 3.44Å; C333-R337 WeakPolarHBondContact O-CG 3.32Å; C333-R337 PolarHBondContact O-N 3.44Å; C333-M449 PolarHBondContact SG-O 3.43Å; C333-C453 HydrophobicContact CB-CB 3.68Å; C333-C453 VanDerWaalsContact SG-SG 3.64Å |
| 334 | H | 89.6 | Confident | 80 | Confident | 57 Ų | 57 | 42.2 Ų | 42.2 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64 | -54.1 | 176.2 | 176.4 | 71.2 | 0 | 0 | 0 | 111.5 | R330 I331 F332 F336 R337 | R330-H334 WeakPolarHBondContact O-CB 3.26Å; R330-H334 PolarHBondContact O-N 2.9Å; I331-H334 WeakPolarHBondContact O-CB 3.26Å; I331-H334 PolarHBondContact O-N 3.33Å; F332-H334 VanDerWaalsContact C-N 3.3Å; F332-H334 PolarHBondContact O-N 3.22Å; H334-F336 VanDerWaalsContact C-N 3.28Å; H334-F336 PolarHBondContact O-N 3.05Å; H334-R337 PolarHBondContact O-N 3.28Å |
| 335 | V | 89.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | 178.2 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | L282 Y293 V296 L297 I331 F332 R337 L338 | L282-V335 HydrophobicContact CB-CG2 4.16Å; Y293-V335 HydrophobicContact CD2-CG1 4.4Å; Y293-V335 HydrophobicContact CE2-CG1 4.28Å; Y293-V335 WeakPolarHBondContact CE2-O 3.45Å; V296-V335 HydrophobicContact CG1-CG1 4.32Å; L297-V335 HydrophobicContact CD2-CB 3.97Å; L297-V335 HydrophobicContact CD2-CG1 3.88Å; L297-V335 HydrophobicContact CG-CG1 4.17Å; I331-V335 HydrophobicContact CG2-CG2 4.46Å; I331-V335 WeakPolarHBondContact O-CG2 3.24Å; I331-V335 PolarHBondContact O-N 2.83Å; F332-V335 PolarHBondContact O-N 3.42Å; V335-R337 VanDerWaalsContact C-N 3.3Å; V335-R337 PolarHBondContact O-N 3.35Å; V335-L338 PolarHBondContact O-N 3.16Å; V335-L338 VanDerWaalsContact O-N 3.11Å |
| 336 | F | 88.6 | Confident | 74.9 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 5% | 0.053 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59 | -38.7 | 178.5 | -179.7 | -101.3 | 0 | 0 | 0 | 112.9 | Y293 L297 F332 H334 L338 G339 R358 V361 F362 Q454 | Y293-F336 WeakPolarHBondContact OH-CA 3.44Å; Y293-F336 PolarHBondContact OH-O 3.15Å; L297-F336 HydrophobicContact CD1-CB 4.4Å; L297-F336 HydrophobicContact CD1-CD2 4.01Å; L297-F336 HydrophobicContact CD2-CB 4.04Å; F332-F336 VanDerWaalsContact O-CB 3.26Å; F332-F336 WeakPolarHBondContact O-CB 3.35Å; F332-F336 PolarHBondContact O-N 2.7Å; H334-F336 VanDerWaalsContact C-N 3.28Å; H334-F336 PolarHBondContact O-N 3.05Å; F336-L338 VanDerWaalsContact C-N 3.27Å; F336-L338 PolarHBondContact O-N 3.1Å; F336-G339 PolarHBondContact O-N 3.3Å; F336-R358 HydrophobicContact CE2-CG 3.66Å; F336-R358 HydrophobicContact CZ-CG 3.96Å; F336-R358 PolarHBondContact O-NH2 3.23Å; F336-V361 HydrophobicContact CD2-CG2 4.23Å; F336-V361 HydrophobicContact CE2-CG2 4.25Å; F336-F362 HydrophobicContact CD1-CZ 4.23Å; F336-F362 AromaticContact CD2-CE2 3.91Å; F336-F362 HydrophobicContact CD2-CE2 3.91Å; F336-F362 HydrophobicContact CD2-CZ 4.15Å; F336-F362 HydrophobicContact CE1-CE2 4.16Å; F336-F362 HydrophobicContact CE1-CZ 4.11Å; F336-F362 HydrophobicContact CE2-CD2 4.49Å; F336-F362 AromaticContact CE2-CE2 3.45Å; F336-F362 HydrophobicContact CE2-CE2 3.45Å; F336-F362 VanDerWaalsContact CE2-CE2 3.45Å; F336-F362 HydrophobicContact CE2-CZ 4.04Å; F336-F362 HydrophobicContact CG-CE2 4.45Å; F336-F362 HydrophobicContact CG-CZ 4.26Å; F336-F362 AromaticContact CZ-CE2 3.59Å; F336-F362 HydrophobicContact CZ-CE2 3.59Å; F336-F362 HydrophobicContact CZ-CZ 4.01Å; F336-Q454 HydrophobicContact CE1-CG 4.15Å; F336-Q454 HydrophobicContact CZ-CG 4.46Å |
| 337 | R | 85.8 | Confident | 72.4 | Confident | 125 Ų | 125 | 58.2 Ų | 58.2 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.6 | -24.6 | 178.9 | -74.8 | 176.5 | 178.7 | 173.9 | 1.6 | 113.3 | C333 H334 V335 | C333-R337 WeakPolarHBondContact O-CG 3.32Å; C333-R337 PolarHBondContact O-N 3.44Å; H334-R337 PolarHBondContact O-N 3.28Å; V335-R337 VanDerWaalsContact C-N 3.3Å; V335-R337 PolarHBondContact O-N 3.35Å |
| 338 | L | 81.6 | Confident | 69.9 | Low | 68 Ų | 68 | 62.3 Ų | 62.3 | 36% | 0.356 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -79.9 | -15.9 | -178.8 | -64 | 171.4 | 0 | 0 | 0 | 114 | E283 V335 F336 | E283-L338 HydrophobicContact CB-CD1 3.94Å; E283-L338 HydrophobicContact CG-CD1 3.63Å; V335-L338 PolarHBondContact O-N 3.16Å; V335-L338 VanDerWaalsContact O-N 3.11Å; F336-L338 VanDerWaalsContact C-N 3.27Å; F336-L338 PolarHBondContact O-N 3.1Å |
| 339 | G | 72 | Confident | 67.6 | Low | 4 Ų | 4 | 66.8 Ų | 66.8 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -61 | 161.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y293 F336 S341 | Y293-G339 VanDerWaalsContact CE2-CA 3.43Å; F336-G339 PolarHBondContact O-N 3.3Å; G339-S341 CarbonylContact O-C 3.49Å; G339-S341 PolarHBondContact O-N 2.84Å |
| 340 | P | 61 | Low | 64.9 | Low | 101 Ų | 101 | 69.1 Ų | 69.1 | 66% | 0.656 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -62.3 | 7 | -167.1 | 24.3 | -35.5 | 0 | 0 | 0 | 117 | ||
| 341 | S | 54.4 | Low | 62.6 | Low | 49 Ų | 49 | 71.5 Ų | 71.5 | 34% | 0.343 | 41% | 0.408 | S | S | . | . | trans | -130.7 | 77.5 | 171.9 | 28.1 | 0 | 0 | 0 | 0 | 108.5 | G339 R358 | G339-S341 CarbonylContact O-C 3.49Å; G339-S341 PolarHBondContact O-N 2.84Å; S341-R358 VanDerWaalsContact O-CZ 3.31Å; S341-R358 PolarHBondContact O-NH1 2.9Å; S341-R358 VanDerWaalsContact O-NH1 3.14Å; S341-R358 WeakPolarHBondContact OG-CD 3.36Å; S341-R358 PolarHBondContact OG-NH1 3.38Å | ||
| 342 | S | 44.8 | Very low | 59.9 | Low | 80 Ų | 80 | 78.2 Ų | 78.2 | 56% | 0.559 | 44% | 0.444 | S | S | * | . | trans | -58.9 | 148.1 | 160.7 | -94.6 | 0 | 0 | 0 | 0 | 109.4 | N344 | S342-N344 PolarHBondContact O-N 3.37Š| ||
| 343 | P | 47.3 | Very low | 57.4 | Low | 99 Ų | 99 | 81.6 Ų | 81.6 | 64% | 0.643 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -75.6 | 54.7 | -170.4 | 33.1 | -36.4 | 0 | 0 | 0 | 112.6 | ||
| 344 | N | 39.8 | Very low | 54.9 | Low | 151 Ų | 151 | 87.5 Ų | 87.5 | 81% | 0.807 | 51% | 0.51 | S | S | * | . | trans | -93.6 | -8.2 | 176.5 | -100.5 | 12.5 | 0 | 0 | 0 | 113.8 | S342 | S342-N344 PolarHBondContact O-N 3.37Š| ||
| 345 | N | 36.6 | Very low | 53.3 | Low | 135 Ų | 135 | 93.1 Ų | 93.1 | 72% | 0.722 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -127.1 | 110.7 | 174.1 | -80 | -19.6 | 0 | 0 | 0 | 109.4 | N347 | N345-N347 PolarHBondContact O-N 3.45Š|
| 346 | G | 42.5 | Very low | 52 | Low | 63 Ų | 63 | 95.2 Ų | 95.2 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 24.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 347 | N | 38.8 | Very low | 50.7 | Low | 157 Ų | 157 | 98.1 Ų | 98.1 | 84% | 0.84 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -7.3 | 179.9 | -76.9 | -0.1 | 0 | 0 | 0 | 114 | N345 M349 | N345-N347 PolarHBondContact O-N 3.45Å; N347-M349 VanDerWaalsContact C-N 3.29Å |
| 348 | D | 40.2 | Very low | 50.1 | Low | 103 Ų | 103 | 94.1 Ų | 94.1 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -87.4 | 1.8 | 169.4 | -104.3 | -10.1 | 0 | 0 | 0 | 112.6 | G350 | D348-G350 PolarHBondContact O-N 3.21Š|
| 349 | M | 45.6 | Very low | 49.8 | Very low | 93 Ų | 93 | 93.5 Ų | 93.5 | 46% | 0.458 | 55% | 0.553 | S | S | . | * | trans | -77.1 | 43.2 | 177.6 | -71.7 | -72.2 | -158.8 | 0 | 0 | 112.9 | N347 Y351 M455 P456 | N347-M349 VanDerWaalsContact C-N 3.29Å; M349-Y351 PolarHBondContact O-N 2.89Å; M349-M455 HydrophobicContact CE-CE 4.3Å; M349-M455 HydrophobicContact CE-SD 4.43Å; M349-P456 HydrophobicContact CE-CG 4.28Å | ||
| 350 | G | 35.8 | Very low | 50.2 | Low | 50 Ų | 50 | 98.3 Ų | 98.3 | 52% | 0.515 | 58% | 0.575 | S | S | . | * | trans | -82.1 | 93.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D348 N352 | D348-G350 PolarHBondContact O-N 3.21Å; G350-N352 PolarHBondContact O-N 3.12Å | ||
| 351 | Y | 46.1 | Very low | 51.3 | Low | 142 Ų | 142 | 93.6 Ų | 93.6 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -60.8 | 6.5 | 167.2 | -93.6 | -93.7 | 0 | 0 | 0 | 114.5 | M349 P462 | M349-Y351 PolarHBondContact O-N 2.89Å; Y351-P462 WeakPolarHBondContact OH-CB 3.42Å; Y351-P462 WeakPolarHBondContact OH-CD 3.39Å; Y351-P462 VanDerWaalsContact OH-CG 3.27Å; Y351-P462 WeakPolarHBondContact OH-CG 3.47Å |
| 352 | N | 34.6 | Very low | 52.9 | Low | 140 Ų | 140 | 91.6 Ų | 91.6 | 75% | 0.749 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -129.5 | 102.4 | 173.8 | -88 | -21.1 | 0 | 0 | 0 | 109.8 | G350 N354 | G350-N352 PolarHBondContact O-N 3.12Å; N352-N354 PolarHBondContact O-N 3.39Å |
| 353 | G | 41 | Very low | 54.9 | Low | 73 Ų | 73 | 95.4 Ų | 95.4 | 75% | 0.753 | 54% | 0.536 | S | S | * | . | trans | 56.2 | 4.9 | 138 | 0 | 0 | 0 | 0 | 0 | 120.6 | K355 | G353-K355 PolarHBondContact O-N 2.94Š| ||
| 354 | N | 38.6 | Very low | 57 | Low | 135 Ų | 135 | 91.6 Ų | 91.6 | 72% | 0.722 | 51% | 0.511 | S | S | * | . | trans | -78.5 | 97.6 | 173.1 | -79.4 | -11 | 0 | 0 | 0 | 107.8 | N352 T356 | N352-N354 PolarHBondContact O-N 3.39Å; N354-T356 PolarHBondContact O-N 3.27Å | ||
| 355 | K | 54.8 | Low | 59.4 | Low | 175 Ų | 175 | 84.5 Ų | 84.5 | 76% | 0.761 | 47% | 0.473 | S | S | * | . | trans | -64.8 | 69.1 | 178.6 | -63.7 | 176.8 | -178.8 | 174.7 | 0 | 110.9 | G353 | G353-K355 PolarHBondContact O-N 2.94Š| ||
| 356 | T | 62.4 | Low | 61.9 | Low | 45 Ų | 45 | 80.2 Ų | 80.2 | 28% | 0.276 | 45% | 0.448 | S | S | . | . | trans | -64.3 | 144.1 | 168.6 | 62 | 0 | 0 | 0 | 0 | 108.4 | N354 R358 S359 Q360 | N354-T356 PolarHBondContact O-N 3.27Å; T356-R358 PolarHBondContact O-N 3.37Å; T356-S359 PolarHBondContact N-OG 3.06Å; T356-S359 PolarHBondContact O-N 2.99Å; T356-S359 PolarHBondContact O-OG 3.24Å; T356-S359 PolarHBondContact OG1-N 3.27Å; T356-S359 PolarHBondContact OG1-OG 3.01Å; T356-Q360 PolarHBondContact O-N 3.11Å | ||
| 357 | P | 62 | Low | 64.1 | Low | 73 Ų | 73 | 82.5 Ų | 82.5 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -54.9 | -25.7 | 175.3 | -25.7 | 34.1 | 0 | 0 | 0 | 112.9 | ||
| 358 | R | 72.4 | Confident | 66.6 | Low | 40 Ų | 40 | 75 Ų | 75 | 15% | 0.151 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.5 | -34.1 | 175.4 | -172.9 | 175 | 179.2 | 97 | 15.9 | 113.8 | F336 S341 T356 V361 | F336-R358 HydrophobicContact CE2-CG 3.66Å; F336-R358 HydrophobicContact CZ-CG 3.96Å; F336-R358 PolarHBondContact O-NH2 3.23Å; S341-R358 VanDerWaalsContact O-CZ 3.31Å; S341-R358 PolarHBondContact O-NH1 2.9Å; S341-R358 VanDerWaalsContact O-NH1 3.14Å; S341-R358 WeakPolarHBondContact OG-CD 3.36Å; S341-R358 PolarHBondContact OG-NH1 3.38Å; T356-R358 PolarHBondContact O-N 3.37Å; R358-V361 VanDerWaalsContact O-CG2 3.3Å; R358-V361 WeakPolarHBondContact O-CG2 3.36Å |
| 359 | S | 74.3 | Confident | 69.1 | Low | 55 Ų | 55 | 70.7 Ų | 70.7 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -83.5 | -21.4 | 177.6 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | T356 V361 F362 | T356-S359 PolarHBondContact N-OG 3.06Å; T356-S359 PolarHBondContact O-N 2.99Å; T356-S359 PolarHBondContact O-OG 3.24Å; T356-S359 PolarHBondContact OG1-N 3.27Å; T356-S359 PolarHBondContact OG1-OG 3.01Å; S359-V361 PolarHBondContact O-N 3.48Å; S359-F362 PolarHBondContact O-N 3.06Å |
| 360 | Q | 81.3 | Confident | 71.3 | Confident | 106 Ų | 106 | 71.7 Ų | 71.7 | 50% | 0.495 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.7 | -26.3 | -179.2 | -68.4 | -176.6 | 13.9 | 0 | 0 | 113.9 | T356 F362 K363 | T356-Q360 PolarHBondContact O-N 3.11Å; Q360-F362 PolarHBondContact O-N 3.16Å; Q360-K363 VanDerWaalsContact O-CB 3.23Å; Q360-K363 WeakPolarHBondContact O-CB 3.23Å; Q360-K363 PolarHBondContact O-N 3.02Å; Q360-K363 VanDerWaalsContact O-N 3.09Å |
| 361 | V | 84.6 | Confident | 73.8 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.4 | 179.4 | -55.6 | 0 | 0 | 0 | 0 | 113.4 | L297 A301 F332 F336 R358 S359 P364 | L297-V361 HydrophobicContact CB-CB 3.86Å; L297-V361 HydrophobicContact CB-CG1 3.9Å; L297-V361 HydrophobicContact CB-CG2 4.26Å; L297-V361 HydrophobicContact CD1-CG1 4.31Å; L297-V361 HydrophobicContact CD1-CG2 4.26Å; A301-V361 WeakPolarHBondContact CB-O 3.44Å; F332-V361 HydrophobicContact CE2-CG2 4.38Å; F332-V361 HydrophobicContact CZ-CG2 4.09Å; F336-V361 HydrophobicContact CD2-CG2 4.23Å; F336-V361 HydrophobicContact CE2-CG2 4.25Å; R358-V361 VanDerWaalsContact O-CG2 3.3Å; R358-V361 WeakPolarHBondContact O-CG2 3.36Å; S359-V361 PolarHBondContact O-N 3.48Å; V361-P364 WeakPolarHBondContact O-CD 3.46Å |
| 362 | F | 87.3 | Confident | 76 | Confident | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -12 | 175.9 | -70.5 | -89.9 | 0 | 0 | 0 | 113.4 | F332 F336 S359 Q360 P364 L365 E366 Q454 | F332-F362 AromaticContact CE1-CD1 3.98Å; F332-F362 HydrophobicContact CE1-CD1 3.98Å; F332-F362 AromaticContact CE1-CE1 3.37Å; F332-F362 HydrophobicContact CE1-CE1 3.37Å; F332-F362 HydrophobicContact CE1-CE2 4.47Å; F332-F362 AromaticContact CE1-CZ 3.65Å; F332-F362 HydrophobicContact CE1-CZ 3.65Å; F332-F362 AromaticContact CZ-CD1 3.95Å; F332-F362 HydrophobicContact CZ-CD1 3.95Å; F332-F362 HydrophobicContact CZ-CD2 4.5Å; F332-F362 AromaticContact CZ-CE1 3.73Å; F332-F362 HydrophobicContact CZ-CE1 3.73Å; F332-F362 HydrophobicContact CZ-CE2 4.29Å; F332-F362 HydrophobicContact CZ-CG 4.34Å; F332-F362 AromaticContact CZ-CZ 3.9Å; F332-F362 HydrophobicContact CZ-CZ 3.9Å; F336-F362 HydrophobicContact CD1-CZ 4.23Å; F336-F362 AromaticContact CD2-CE2 3.91Å; F336-F362 HydrophobicContact CD2-CE2 3.91Å; F336-F362 HydrophobicContact CD2-CZ 4.15Å; F336-F362 HydrophobicContact CE1-CE2 4.16Å; F336-F362 HydrophobicContact CE1-CZ 4.11Å; F336-F362 HydrophobicContact CE2-CD2 4.49Å; F336-F362 AromaticContact CE2-CE2 3.45Å; F336-F362 HydrophobicContact CE2-CE2 3.45Å; F336-F362 VanDerWaalsContact CE2-CE2 3.45Å; F336-F362 HydrophobicContact CE2-CZ 4.04Å; F336-F362 HydrophobicContact CG-CE2 4.45Å; F336-F362 HydrophobicContact CG-CZ 4.26Å; F336-F362 AromaticContact CZ-CE2 3.59Å; F336-F362 HydrophobicContact CZ-CE2 3.59Å; F336-F362 HydrophobicContact CZ-CZ 4.01Å; S359-F362 PolarHBondContact O-N 3.06Å; Q360-F362 PolarHBondContact O-N 3.16Å; F362-P364 VanDerWaalsContact C-CD 3.44Å; F362-P364 VanDerWaalsContact C-N 3.32Å; F362-L365 HydrophobicContact CD1-CD1 4.03Å; F362-L365 WeakPolarHBondContact O-CA 3.31Å; F362-L365 WeakPolarHBondContact O-CB 3.35Å; F362-L365 PolarHBondContact O-N 2.81Å; F362-E366 PolarHBondContact O-N 3.35Å; F362-Q454 HydrophobicContact CE1-CG 4.26Å; F362-Q454 HydrophobicContact CE2-CG 4.04Å; F362-Q454 HydrophobicContact CZ-CG 3.64Å; F362-Q454 VanDerWaalsContact CZ-NE2 3.34Å |
| 363 | K | 87.4 | Confident | 78.6 | Confident | 160 Ų | 160 | 59.1 Ų | 59.1 | 70% | 0.696 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -53.8 | -39.3 | -176.1 | -173.5 | -178.1 | 177.8 | -171.5 | 0 | 113.9 | Q360 L365 E366 | Q360-K363 VanDerWaalsContact O-CB 3.23Å; Q360-K363 WeakPolarHBondContact O-CB 3.23Å; Q360-K363 PolarHBondContact O-N 3.02Å; Q360-K363 VanDerWaalsContact O-N 3.09Å; K363-L365 VanDerWaalsContact C-N 3.32Å; K363-L365 PolarHBondContact O-N 3.13Å; K363-E366 PolarHBondContact O-N 3.13Å |
| 364 | P | 90.6 | Very high | 80.9 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 173.6 | -22.7 | 34.7 | 0 | 0 | 0 | 112.8 | T298 A301 E302 T305 V361 F362 L367 | T298-P364 HydrophobicContact CG2-CG 4.32Å; A301-P364 HydrophobicContact CB-CB 3.98Å; A301-P364 HydrophobicContact CB-CG 3.97Å; E302-P364 HydrophobicContact CG-CB 4.03Å; E302-P364 HydrophobicContact CG-CG 3.96Å; T305-P364 WeakPolarHBondContact CG2-O 3.44Å; T305-P364 PolarHBondContact OG1-O 3.02Å; V361-P364 WeakPolarHBondContact O-CD 3.46Å; F362-P364 VanDerWaalsContact C-CD 3.44Å; F362-P364 VanDerWaalsContact C-N 3.32Å; P364-L367 PolarHBondContact O-N 3.09Å |
| 365 | L | 90.3 | Very high | 83.2 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.1 | -31.6 | 179.4 | -69.5 | 169.4 | 0 | 0 | 0 | 112.1 | A301 A304 T305 F332 F362 K363 L367 L368 W369 | A301-L365 HydrophobicContact CB-CD1 4.22Å; A301-L365 HydrophobicContact CB-CG 3.97Å; A304-L365 HydrophobicContact CB-CD2 3.8Å; T305-L365 WeakPolarHBondContact OG1-CA 3.29Å; T305-L365 PolarHBondContact OG1-N 3.09Å; F332-L365 HydrophobicContact CE1-CD1 4.15Å; F332-L365 HydrophobicContact CZ-CD1 4.14Å; F362-L365 HydrophobicContact CD1-CD1 4.03Å; F362-L365 WeakPolarHBondContact O-CA 3.31Å; F362-L365 WeakPolarHBondContact O-CB 3.35Å; F362-L365 PolarHBondContact O-N 2.81Å; K363-L365 VanDerWaalsContact C-N 3.32Å; K363-L365 PolarHBondContact O-N 3.13Å; L365-L367 PolarHBondContact O-N 2.8Å; L365-L368 WeakPolarHBondContact O-CA 3.33Å; L365-L368 WeakPolarHBondContact O-CB 3.45Å; L365-L368 PolarHBondContact O-N 3.06Å; L365-W369 HydrophobicContact CB-CZ2 3.75Å; L365-W369 HydrophobicContact CD1-CZ2 4.28Å; L365-W369 HydrophobicContact CD2-CH2 4.27Å; L365-W369 HydrophobicContact CD2-CZ2 3.91Å; L365-W369 HydrophobicContact CG-CZ2 4.19Å; L365-W369 VanDerWaalsContact O-CD1 3.24Å; L365-W369 VanDerWaalsContact O-CG 3.24Å; L365-W369 PolarHBondContact O-N 3.09Å; L365-W369 PolarHBondContact O-NE1 3.44Å |
| 366 | E | 89.7 | Confident | 84.8 | Confident | 46 Ų | 46 | 49.5 Ų | 49.5 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.8 | -35.3 | 175.6 | -66.8 | -61.5 | 161.3 | 0 | 0 | 112.9 | F362 K363 L368 W369 H370 R463 | F362-E366 PolarHBondContact O-N 3.35Å; K363-E366 PolarHBondContact O-N 3.13Å; E366-L368 VanDerWaalsContact C-N 3.31Å; E366-L368 PolarHBondContact O-N 3.14Å; E366-W369 PolarHBondContact O-N 3.45Å; E366-H370 PolarHBondContact O-CD2 2.74Å; E366-H370 PolarHBondContact O-N 3.24Å; E366-R463 IonicContact OE1-CZ 3.97Å; E366-R463 IonicContact OE1-NH1 3.1Å; E366-R463 PolarHBondContact OE1-NH1 3.44Å; E366-R463 IonicContact OE1-NH2 3.16Å; E366-R463 PolarHBondContact OE1-NH2 3.34Å; E366-R463 IonicContact OE2-CZ 3.04Å; E366-R463 IonicContact OE2-NH1 3.87Å; E366-R463 IonicContact OE2-NH2 3.93Å; E366-R463 PolarHBondContact OE2-NH2 3.5Å |
| 367 | L | 89.1 | Confident | 85.9 | Confident | 111 Ų | 111 | 51 Ų | 51 | 58% | 0.581 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.6 | -38.2 | 175.2 | -63 | 173.9 | 0 | 0 | 0 | 112 | P364 L365 S371 | P364-L367 PolarHBondContact O-N 3.09Å; L365-L367 PolarHBondContact O-N 2.8Å; L367-S371 PolarHBondContact O-N 2.92Å; L367-S371 PolarHBondContact O-OG 3.34Å |
| 368 | L | 91 | Very high | 87 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 176.2 | 179.5 | 62.2 | 0 | 0 | 0 | 111.1 | T305 G308 L312 L365 E366 H370 S371 L372 V443 | T305-L368 HydrophobicContact CG2-CB 4.28Å; G308-L368 VanDerWaalsContact C-CD1 3.49Å; L312-L368 HydrophobicContact CD1-CD1 3.86Å; L365-L368 WeakPolarHBondContact O-CA 3.33Å; L365-L368 WeakPolarHBondContact O-CB 3.45Å; L365-L368 PolarHBondContact O-N 3.06Å; E366-L368 VanDerWaalsContact C-N 3.31Å; E366-L368 PolarHBondContact O-N 3.14Å; L368-H370 PolarHBondContact O-N 3.05Å; L368-S371 PolarHBondContact O-N 2.84Å; L368-L372 PolarHBondContact O-N 3.1Å; L368-V443 HydrophobicContact CD1-CG1 4.1Å; L368-V443 HydrophobicContact CD2-CG1 4.07Å; L368-V443 HydrophobicContact CG-CG1 3.97Å |
| 369 | W | 93.1 | Very high | 87.5 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 5% | 0.045 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 179.7 | -47.7 | 146.3 | 0 | 0 | 0 | 112.4 | L365 E366 L372 D373 V443 A446 F447 S450 | L365-W369 HydrophobicContact CB-CZ2 3.75Å; L365-W369 HydrophobicContact CD1-CZ2 4.28Å; L365-W369 HydrophobicContact CD2-CH2 4.27Å; L365-W369 HydrophobicContact CD2-CZ2 3.91Å; L365-W369 HydrophobicContact CG-CZ2 4.19Å; L365-W369 VanDerWaalsContact O-CD1 3.24Å; L365-W369 VanDerWaalsContact O-CG 3.24Å; L365-W369 PolarHBondContact O-N 3.09Å; L365-W369 PolarHBondContact O-NE1 3.44Å; E366-W369 PolarHBondContact O-N 3.45Å; W369-L372 PolarHBondContact O-N 2.82Å; W369-D373 PolarHBondContact O-N 3.18Å; W369-V443 HydrophobicContact CE3-CG1 4.42Å; W369-V443 HydrophobicContact CZ3-CG1 4Å; W369-A446 HydrophobicContact CH2-CB 4.06Å; W369-A446 HydrophobicContact CZ3-CB 4.4Å; W369-F447 HydrophobicContact CB-CD2 4.29Å; W369-F447 HydrophobicContact CB-CE2 4.22Å; W369-F447 AromaticContact CD1-CD2 3.76Å; W369-F447 AromaticContact CD1-CE2 3.71Å; W369-F447 HydrophobicContact CD2-CB 4.17Å; W369-F447 AromaticContact CD2-CD2 3.39Å; W369-F447 HydrophobicContact CD2-CD2 3.39Å; W369-F447 HydrophobicContact CD2-CE2 4.09Å; W369-F447 HydrophobicContact CD2-CG 4.06Å; W369-F447 AromaticContact CE2-CD2 3.56Å; W369-F447 HydrophobicContact CE3-CB 3.7Å; W369-F447 AromaticContact CE3-CD2 3.84Å; W369-F447 HydrophobicContact CE3-CD2 3.84Å; W369-F447 HydrophobicContact CE3-CG 4.02Å; W369-F447 AromaticContact CG-CD2 3.57Å; W369-F447 HydrophobicContact CG-CD2 3.57Å; W369-F447 AromaticContact CG-CE2 3.75Å; W369-F447 HydrophobicContact CG-CE2 3.75Å; W369-F447 HydrophobicContact CG-CG 4.45Å; W369-F447 HydrophobicContact CH2-CB 4.06Å; W369-F447 HydrophobicContact CZ2-CB 4.47Å; W369-F447 HydrophobicContact CZ2-CD2 4.16Å; W369-F447 HydrophobicContact CZ3-CB 3.64Å; W369-F447 HydrophobicContact CZ3-CD2 4.4Å; W369-F447 HydrophobicContact CZ3-CG 4.42Å; W369-F447 AromaticContact NE1-CD2 3.75Å; W369-S450 WeakPolarHBondContact CZ2-OG 3.43Å |
| 370 | H | 90.4 | Very high | 87.9 | Confident | 114 Ų | 114 | 49.1 Ų | 49.1 | 53% | 0.528 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63 | -45.5 | 172.2 | -75.4 | -54.4 | 0 | 0 | 0 | 112.2 | E366 L368 L372 D373 E374 | E366-H370 PolarHBondContact O-CD2 2.74Å; E366-H370 PolarHBondContact O-N 3.24Å; L368-H370 PolarHBondContact O-N 3.05Å; H370-L372 VanDerWaalsContact C-N 3.31Å; H370-L372 PolarHBondContact O-N 3.14Å; H370-D373 PolarHBondContact O-N 3.04Å; H370-E374 WeakPolarHBondContact O-CG 3.14Å; H370-E374 PolarHBondContact O-N 3.39Å |
| 371 | S | 89.7 | Confident | 87.9 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 20% | 0.203 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 175.3 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | H309 L367 L368 E374 W375 | H309-S371 PolarHBondContact NE2-OG 2.97Å; L367-S371 PolarHBondContact O-N 2.92Å; L367-S371 PolarHBondContact O-OG 3.34Å; L368-S371 PolarHBondContact O-N 2.84Å; S371-E374 PolarHBondContact O-N 3.31Å; S371-W375 PolarHBondContact O-N 3.5Å; S371-W375 VanDerWaalsContact O-N 3.07Å |
| 372 | L | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 175 | 175.2 | 65.5 | 0 | 0 | 0 | 111.7 | L368 W369 H370 E374 W375 L376 L440 V443 I444 F467 | L368-L372 PolarHBondContact O-N 3.1Å; W369-L372 PolarHBondContact O-N 2.82Å; H370-L372 VanDerWaalsContact C-N 3.31Å; H370-L372 PolarHBondContact O-N 3.14Å; L372-E374 VanDerWaalsContact C-N 3.35Å; L372-E374 PolarHBondContact O-N 3.11Å; L372-W375 PolarHBondContact O-N 2.91Å; L372-L376 HydrophobicContact CD1-CD1 4.21Å; L372-L376 HydrophobicContact CD1-CG 4.25Å; L372-L376 HydrophobicContact CG-CD1 4.2Å; L372-L376 WeakPolarHBondContact O-CG 3.15Å; L372-L376 PolarHBondContact O-N 3.43Å; L372-L440 HydrophobicContact CD1-CD2 3.83Å; L372-V443 HydrophobicContact CB-CG1 4.37Å; L372-V443 HydrophobicContact CD1-CB 4.31Å; L372-V443 HydrophobicContact CD1-CG1 4.31Å; L372-V443 HydrophobicContact CD2-CG1 4.09Å; L372-V443 HydrophobicContact CG-CG1 4.49Å; L372-I444 HydrophobicContact CD1-CG1 4.03Å; L372-I444 HydrophobicContact CD2-CG1 3.83Å; L372-I444 HydrophobicContact CG-CG1 4.43Å; L372-F467 HydrophobicContact CD2-CE2 4.32Å; L372-F467 HydrophobicContact CD2-CZ 3.74Å; L372-F467 HydrophobicContact CG-CZ 4.15Å |
| 373 | D | 89.9 | Confident | 86.8 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 178.4 | -170.7 | 72.3 | 0 | 0 | 0 | 111.6 | W369 H370 W375 L376 M377 K470 H471 | W369-D373 PolarHBondContact O-N 3.18Å; H370-D373 PolarHBondContact O-N 3.04Å; D373-W375 PolarHBondContact O-N 3.28Å; D373-L376 PolarHBondContact O-N 3.23Å; D373-M377 WeakPolarHBondContact O-CG 3.41Å; D373-M377 PolarHBondContact O-N 3.17Å; D373-K470 IonicContact OD1-NZ 2.77Å; D373-K470 PolarHBondContact OD1-NZ 3.16Å; D373-K470 IonicContact OD2-NZ 2.73Å; D373-K470 PolarHBondContact OD2-NZ 2.89Å; D373-H471 IonicContact OD1-CD2 3.43Å; D373-H471 IonicContact OD1-CE1 2.82Å; D373-H471 PolarHBondContact OD1-CE1 3.46Å; D373-H471 IonicContact OD1-NE2 3.96Å; D373-H471 PolarHBondContact OD1-NE2 3.23Å |
| 374 | E | 88.7 | Confident | 86.1 | Confident | 128 Ų | 128 | 47.5 Ų | 47.5 | 60% | 0.598 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -59.4 | -45.1 | 175.1 | -71.8 | 179.1 | 169.3 | 0 | 0 | 111.9 | H370 S371 L372 L376 M377 L378 | H370-E374 WeakPolarHBondContact O-CG 3.14Å; H370-E374 PolarHBondContact O-N 3.39Å; S371-E374 PolarHBondContact O-N 3.31Å; L372-E374 VanDerWaalsContact C-N 3.35Å; L372-E374 PolarHBondContact O-N 3.11Å; E374-L376 PolarHBondContact O-N 3.44Å; E374-M377 PolarHBondContact O-N 2.74Å; E374-L378 VanDerWaalsContact O-CG 3.31Å; E374-L378 WeakPolarHBondContact O-CG 3.49Å; E374-L378 PolarHBondContact O-N 2.89Å |
| 375 | W | 87.4 | Confident | 85.1 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 20% | 0.201 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 176.9 | -88 | 109.1 | 0 | 0 | 0 | 112.7 | S371 L372 D373 L378 I379 L403 L440 | S371-W375 PolarHBondContact O-N 3.5Å; S371-W375 VanDerWaalsContact O-N 3.07Å; L372-W375 PolarHBondContact O-N 2.91Å; D373-W375 PolarHBondContact O-N 3.28Å; W375-L378 PolarHBondContact O-N 2.87Å; W375-I379 WeakPolarHBondContact O-CG1 3.33Å; W375-I379 PolarHBondContact O-N 3.42Å; W375-I379 VanDerWaalsContact O-N 3.13Å; W375-L403 HydrophobicContact CH2-CD2 3.1Å; W375-L403 HydrophobicContact CH2-CG 3.73Å; W375-L403 HydrophobicContact CZ2-CD2 3.96Å; W375-L403 HydrophobicContact CZ3-CD2 3.44Å; W375-L403 VanDerWaalsContact CZ3-CD2 3.44Å; W375-L403 HydrophobicContact CZ3-CG 3.91Å; W375-L440 HydrophobicContact CB-CD2 3.92Å; W375-L440 HydrophobicContact CG-CD2 4.27Å |
| 376 | L | 87.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.6 | -38 | -179.7 | -65.2 | 176.1 | 0 | 0 | 0 | 111.9 | L372 D373 E374 L378 I379 S380 L440 I444 F467 H471 V474 F478 | L372-L376 HydrophobicContact CD1-CD1 4.21Å; L372-L376 HydrophobicContact CD1-CG 4.25Å; L372-L376 HydrophobicContact CG-CD1 4.2Å; L372-L376 WeakPolarHBondContact O-CG 3.15Å; L372-L376 PolarHBondContact O-N 3.43Å; D373-L376 PolarHBondContact O-N 3.23Å; E374-L376 PolarHBondContact O-N 3.44Å; L376-L378 VanDerWaalsContact C-N 3.35Å; L376-L378 PolarHBondContact O-N 3.38Å; L376-I379 PolarHBondContact O-N 3.34Å; L376-S380 WeakPolarHBondContact O-CB 3.5Å; L376-S380 PolarHBondContact O-N 3.44Å; L376-L440 HydrophobicContact CD2-CD1 4.45Å; L376-I444 HydrophobicContact CD1-CD1 4.29Å; L376-I444 HydrophobicContact CD2-CD1 4.4Å; L376-F467 HydrophobicContact CD1-CE1 4.23Å; L376-F467 HydrophobicContact CD1-CE2 3.96Å; L376-F467 HydrophobicContact CD1-CZ 3.38Å; L376-H471 WeakPolarHBondContact CB-ND1 3.49Å; L376-H471 HydrophobicContact CD1-CB 4.2Å; L376-V474 HydrophobicContact CD2-CG1 3.83Å; L376-F478 HydrophobicContact CD2-CE2 4.07Å; L376-F478 HydrophobicContact CD2-CZ 4.11Å |
| 377 | M | 86.8 | Confident | 82.2 | Confident | 76 Ų | 76 | 60.7 Ų | 60.7 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 173.3 | -74 | -53.5 | -56.4 | 0 | 0 | 111.8 | D373 E374 I379 S380 T381 | D373-M377 WeakPolarHBondContact O-CG 3.41Å; D373-M377 PolarHBondContact O-N 3.17Å; E374-M377 PolarHBondContact O-N 2.74Å; M377-I379 PolarHBondContact O-N 3.19Å; M377-S380 WeakPolarHBondContact O-CB 3.32Å; M377-S380 PolarHBondContact O-N 3.36Å; M377-T381 WeakPolarHBondContact O-CG2 3.46Å; M377-T381 PolarHBondContact O-N 2.99Å; M377-T381 PolarHBondContact O-OG1 2.97Å |
| 378 | L | 83.8 | Confident | 80.7 | Confident | 92 Ų | 92 | 62.4 Ų | 62.4 | 48% | 0.482 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 176.9 | -72 | 171.2 | 0 | 0 | 0 | 111.4 | E374 W375 L376 S380 T381 E382 | E374-L378 VanDerWaalsContact O-CG 3.31Å; E374-L378 WeakPolarHBondContact O-CG 3.49Å; E374-L378 PolarHBondContact O-N 2.89Å; W375-L378 PolarHBondContact O-N 2.87Å; L376-L378 VanDerWaalsContact C-N 3.35Å; L376-L378 PolarHBondContact O-N 3.38Å; L378-S380 VanDerWaalsContact C-N 3.35Å; L378-S380 PolarHBondContact O-N 2.93Å; L378-T381 PolarHBondContact O-N 3.49Å; L378-T381 PolarHBondContact O-OG1 2.94Å; L378-E382 PolarHBondContact O-N 2.86Å; L378-E382 VanDerWaalsContact O-N 3.15Å |
| 379 | I | 82.7 | Confident | 78.7 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.8 | -65 | 169.1 | 0 | 0 | 0 | 110.8 | W375 L376 M377 T381 E382 L383 I433 L440 V474 F478 | W375-I379 WeakPolarHBondContact O-CG1 3.33Å; W375-I379 PolarHBondContact O-N 3.42Å; W375-I379 VanDerWaalsContact O-N 3.13Å; L376-I379 PolarHBondContact O-N 3.34Å; M377-I379 PolarHBondContact O-N 3.19Å; I379-T381 PolarHBondContact O-N 3.47Å; I379-E382 PolarHBondContact O-N 3.13Å; I379-L383 HydrophobicContact CG2-CD1 3.95Å; I379-L383 HydrophobicContact CG2-CG 4.31Å; I379-L383 WeakPolarHBondContact O-CG 3.49Å; I379-L383 PolarHBondContact O-N 3.29Å; I379-I433 HydrophobicContact CG2-CG1 4.47Å; I379-L440 HydrophobicContact CD1-CD1 3.44Å; I379-L440 VanDerWaalsContact CD1-CD1 3.44Å; I379-V474 HydrophobicContact CB-CG1 4.24Å; I379-V474 HydrophobicContact CG2-CG1 3.78Å; I379-V474 HydrophobicContact CG2-CG2 4.32Å; I379-F478 HydrophobicContact CD1-CE1 4.24Å; I379-F478 HydrophobicContact CD1-CZ 3.91Å; I379-F478 HydrophobicContact CG2-CE1 4.47Å |
| 380 | S | 83.6 | Confident | 76.7 | Confident | 23 Ų | 23 | 72.9 Ų | 72.9 | 16% | 0.161 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 176.6 | -165.9 | 0 | 0 | 0 | 0 | 111.7 | L376 M377 L378 E382 L383 E384 | L376-S380 WeakPolarHBondContact O-CB 3.5Å; L376-S380 PolarHBondContact O-N 3.44Å; M377-S380 WeakPolarHBondContact O-CB 3.32Å; M377-S380 PolarHBondContact O-N 3.36Å; L378-S380 VanDerWaalsContact C-N 3.35Å; L378-S380 PolarHBondContact O-N 2.93Å; S380-E382 PolarHBondContact O-N 3.38Å; S380-L383 PolarHBondContact O-N 3.13Å; S380-E384 PolarHBondContact O-N 3.08Å; S380-E384 VanDerWaalsContact O-N 3.12Å |
| 381 | T | 81.4 | Confident | 74.5 | Confident | 70 Ų | 70 | 73 Ų | 73 | 43% | 0.429 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.3 | -32.1 | 179.1 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | M377 L378 I379 R385 | M377-T381 WeakPolarHBondContact O-CG2 3.46Å; M377-T381 PolarHBondContact O-N 2.99Å; M377-T381 PolarHBondContact O-OG1 2.97Å; L378-T381 PolarHBondContact O-N 3.49Å; L378-T381 PolarHBondContact O-OG1 2.94Å; I379-T381 PolarHBondContact O-N 3.47Å; T381-R385 WeakPolarHBondContact O-CG 3.5Å; T381-R385 PolarHBondContact O-N 3.07Å |
| 382 | E | 71.9 | Confident | 72.3 | Confident | 36 Ų | 36 | 74.3 Ų | 74.3 | 17% | 0.168 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -78.5 | -38.9 | 179.3 | -168.7 | 54.2 | -146.4 | 0 | 0 | 112.4 | L378 I379 S380 E384 R385 S386 I399 | L378-E382 PolarHBondContact O-N 2.86Å; L378-E382 VanDerWaalsContact O-N 3.15Å; I379-E382 PolarHBondContact O-N 3.13Å; S380-E382 PolarHBondContact O-N 3.38Å; E382-E384 PolarHBondContact O-N 2.64Å; E382-R385 WeakPolarHBondContact O-CB 3.3Å; E382-R385 PolarHBondContact O-N 3.45Å; E382-S386 PolarHBondContact O-N 3.43Å; E382-I399 HydrophobicContact CG-CD1 4.05Å; E382-I399 HydrophobicContact CG-CG1 4.16Å |
| 383 | L | 75.6 | Confident | 70 | Confident | 37 Ų | 37 | 80.3 Ų | 80.3 | 19% | 0.194 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -57.7 | -39.8 | 172 | -72.1 | 169.9 | 0 | 0 | 0 | 111.3 | I379 S380 R385 T387 I433 V474 C477 | I379-L383 HydrophobicContact CG2-CD1 3.95Å; I379-L383 HydrophobicContact CG2-CG 4.31Å; I379-L383 WeakPolarHBondContact O-CG 3.49Å; I379-L383 PolarHBondContact O-N 3.29Å; S380-L383 PolarHBondContact O-N 3.13Å; L383-R385 VanDerWaalsContact C-N 3.34Å; L383-R385 PolarHBondContact O-N 3.14Å; L383-T387 WeakPolarHBondContact O-CG2 3.35Å; L383-T387 PolarHBondContact O-N 3.47Å; L383-T387 VanDerWaalsContact O-N 3.13Å; L383-T387 PolarHBondContact O-OG1 2.96Å; L383-I433 HydrophobicContact CD2-CD1 4.01Å; L383-V474 HydrophobicContact CD1-CG2 4.23Å; L383-C477 HydrophobicContact CD1-CB 4.08Å |
| 384 | E | 74.1 | Confident | 67.8 | Low | 98 Ų | 98 | 81.4 Ų | 81.4 | 46% | 0.458 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.5 | -30.1 | 173.2 | -73.9 | -173.5 | -153 | 0 | 0 | 113.9 | S380 E382 T387 K388 | S380-E384 PolarHBondContact O-N 3.08Å; S380-E384 VanDerWaalsContact O-N 3.12Å; E382-E384 PolarHBondContact O-N 2.64Å; E384-T387 WeakPolarHBondContact CA-OG1 3.5Å; E384-T387 PolarHBondContact O-OG1 3.24Å; E384-K388 WeakPolarHBondContact O-CD 3.22Å; E384-K388 VanDerWaalsContact O-CG 3.28Å; E384-K388 WeakPolarHBondContact O-CG 3.33Å; E384-K388 PolarHBondContact O-N 3.19Å; E384-K388 IonicContact OE2-NZ 3.59Å |
| 385 | R | 69.8 | Low | 65.7 | Low | 165 Ų | 165 | 77.2 Ų | 77.2 | 62% | 0.623 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -75.7 | -41.8 | 176.1 | -73.5 | 175.9 | 92.4 | 131.7 | 0.5 | 111.6 | T381 E382 L383 T387 K388 N389 | T381-R385 WeakPolarHBondContact O-CG 3.5Å; T381-R385 PolarHBondContact O-N 3.07Å; E382-R385 WeakPolarHBondContact O-CB 3.3Å; E382-R385 PolarHBondContact O-N 3.45Å; L383-R385 VanDerWaalsContact C-N 3.34Å; L383-R385 PolarHBondContact O-N 3.14Å; R385-T387 PolarHBondContact O-N 3.27Å; R385-K388 PolarHBondContact O-N 3.37Å; R385-N389 PolarHBondContact O-N 3.39Å; R385-N389 VanDerWaalsContact O-N 3.14Å |
| 386 | S | 60.3 | Low | 63.7 | Low | 66 Ų | 66 | 77.6 Ų | 77.6 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 178.1 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | E382 K388 | E382-S386 PolarHBondContact O-N 3.43Å; S386-K388 VanDerWaalsContact C-N 3.32Å; S386-K388 PolarHBondContact O-N 2.93Å |
| 387 | T | 58.6 | Low | 61.7 | Low | 112 Ų | 112 | 81.5 Ų | 81.5 | 69% | 0.687 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.7 | -28 | 176 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | L383 E384 R385 | L383-T387 WeakPolarHBondContact O-CG2 3.35Å; L383-T387 PolarHBondContact O-N 3.47Å; L383-T387 VanDerWaalsContact O-N 3.13Å; L383-T387 PolarHBondContact O-OG1 2.96Å; E384-T387 WeakPolarHBondContact CA-OG1 3.5Å; E384-T387 PolarHBondContact O-OG1 3.24Å; R385-T387 PolarHBondContact O-N 3.27Å |
| 388 | K | 57.1 | Low | 59.9 | Low | 146 Ų | 146 | 82.8 Ų | 82.8 | 64% | 0.635 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -85.9 | -22.5 | 179.3 | -70.7 | 170.2 | -172.3 | 157.9 | 0 | 113.9 | E384 R385 S386 | E384-K388 WeakPolarHBondContact O-CD 3.22Å; E384-K388 VanDerWaalsContact O-CG 3.28Å; E384-K388 WeakPolarHBondContact O-CG 3.33Å; E384-K388 PolarHBondContact O-N 3.19Å; E384-K388 IonicContact OE2-NZ 3.59Å; R385-K388 PolarHBondContact O-N 3.37Å; S386-K388 VanDerWaalsContact C-N 3.32Å; S386-K388 PolarHBondContact O-N 2.93Å |
| 389 | N | 50 | Low | 58.3 | Low | 108 Ų | 108 | 79.8 Ų | 79.8 | 58% | 0.578 | 46% | 0.462 | S | S | * | . | trans | -138.4 | 91.3 | -178.7 | -77 | -33.4 | 0 | 0 | 0 | 112.4 | R385 S391 | R385-N389 PolarHBondContact O-N 3.39Å; R385-N389 VanDerWaalsContact O-N 3.14Å; N389-S391 VanDerWaalsContact C-N 3.27Å; N389-S391 PolarHBondContact O-N 2.98Å | ||
| 390 | P | 50.3 | Low | 56.5 | Low | 124 Ų | 124 | 80.8 Ų | 80.8 | 81% | 0.805 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -7.7 | -176.1 | -14.5 | 29.4 | 0 | 0 | 0 | 115.1 | ||
| 391 | S | 43.9 | Very low | 54.9 | Low | 116 Ų | 116 | 82.1 Ų | 82.1 | 81% | 0.811 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 11.5 | -165.4 | 59.3 | 0 | 0 | 0 | 0 | 115.9 | N389 | N389-S391 VanDerWaalsContact C-N 3.27Å; N389-S391 PolarHBondContact O-N 2.98Å |
| 392 | S | 43.7 | Very low | 53.4 | Low | 58 Ų | 58 | 83.9 Ų | 83.9 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | trans | -115.2 | 101.8 | 175.7 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | S394 | S392-S394 PolarHBondContact O-N 2.84Š| ||
| 393 | S | 41.9 | Very low | 52.3 | Low | 126 Ų | 126 | 83.5 Ų | 83.5 | 88% | 0.881 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 23.7 | 172.3 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 394 | S | 43.9 | Very low | 50.8 | Low | 61 Ų | 61 | 86.7 Ų | 86.7 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -4.4 | -177.2 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | S392 S397 | S392-S394 PolarHBondContact O-N 2.84Å; S394-S397 WeakPolarHBondContact O-CB 3.44Å; S394-S397 PolarHBondContact O-N 2.88Å |
| 395 | S | 45.3 | Very low | 49.4 | Very low | 40 Ų | 40 | 90 Ų | 90 | 28% | 0.28 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -36.9 | -172.4 | 50.6 | 0 | 0 | 0 | 0 | 114 | S397 E398 | S395-S397 VanDerWaalsContact C-N 3.27Å; S395-S397 PolarHBondContact O-N 3.49Å; S395-E398 PolarHBondContact O-N 3.38Å |
| 396 | S | 44.7 | Very low | 48.1 | Very low | 62 Ų | 62 | 90 Ų | 90 | 43% | 0.434 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -29.6 | 176.2 | 48 | 0 | 0 | 0 | 0 | 113.1 | A400 | S396-A400 PolarHBondContact O-N 2.84Å |
| 397 | S | 45.8 | Very low | 47.2 | Very low | 81 Ų | 81 | 97 Ų | 97 | 57% | 0.566 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.6 | -30.7 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 112.9 | S394 S395 S401 | S394-S397 WeakPolarHBondContact O-CB 3.44Å; S394-S397 PolarHBondContact O-N 2.88Å; S395-S397 VanDerWaalsContact C-N 3.27Å; S395-S397 PolarHBondContact O-N 3.49Å; S397-S401 VanDerWaalsContact O-CB 3.29Å; S397-S401 WeakPolarHBondContact O-CB 3.46Å; S397-S401 PolarHBondContact O-N 3.21Å; S397-S401 PolarHBondContact O-OG 3.21Å |
| 398 | E | 49 | Very low | 46.1 | Very low | 103 Ų | 103 | 100.4 Ų | 100.4 | 48% | 0.481 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -77.3 | -38.8 | -179 | -75.2 | -175.7 | 173.3 | 0 | 0 | 111.6 | S395 S401 L402 | S395-E398 PolarHBondContact O-N 3.38Å; E398-S401 WeakPolarHBondContact CA-OG 3.34Å; E398-S401 PolarHBondContact O-N 3.31Å; E398-S401 PolarHBondContact O-OG 3.13Å; E398-L402 PolarHBondContact O-N 3.4Å |
| 399 | I | 50 | Low | 44.9 | Very low | 30 Ų | 30 | 98.5 Ų | 98.5 | 15% | 0.154 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -62.7 | -47.1 | 174.6 | -52.3 | 174.1 | 0 | 0 | 0 | 110.1 | E382 S401 L402 L403 V432 I433 | E382-I399 HydrophobicContact CG-CD1 4.05Å; E382-I399 HydrophobicContact CG-CG1 4.16Å; I399-S401 VanDerWaalsContact C-N 3.31Å; I399-S401 PolarHBondContact O-N 3.35Å; I399-L402 PolarHBondContact O-N 2.89Å; I399-L403 HydrophobicContact CG2-CD1 3.73Å; I399-L403 WeakPolarHBondContact O-CB 3.49Å; I399-L403 WeakPolarHBondContact O-CD1 3.39Å; I399-L403 WeakPolarHBondContact O-CG 3.47Å; I399-L403 PolarHBondContact O-N 3.18Å; I399-V432 HydrophobicContact CB-CB 4.14Å; I399-V432 HydrophobicContact CB-CG1 4.03Å; I399-V432 HydrophobicContact CB-CG2 4.37Å; I399-V432 HydrophobicContact CG2-CB 3.85Å; I399-V432 HydrophobicContact CG2-CG1 3.37Å; I399-I433 HydrophobicContact CD1-CD1 4.44Å; I399-I433 HydrophobicContact CD1-CG1 4.28Å |
| 400 | A | 46.1 | Very low | 43.8 | Very low | 34 Ų | 34 | 100 Ų | 100 | 28% | 0.281 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.5 | -39.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | S396 L404 V432 | S396-A400 PolarHBondContact O-N 2.84Å; A400-L404 WeakPolarHBondContact O-CB 3.4Å; A400-L404 WeakPolarHBondContact O-CD1 3.49Å; A400-L404 WeakPolarHBondContact O-CG 3.39Å; A400-L404 PolarHBondContact O-N 3.39Å; A400-V432 HydrophobicContact CB-CG2 4.48Å |
| 401 | S | 49 | Very low | 42.9 | Very low | 51 Ų | 51 | 100.7 Ų | 100.7 | 36% | 0.357 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.9 | -33.4 | 178.4 | 79.5 | 0 | 0 | 0 | 0 | 113.8 | S397 E398 I399 K405 | S397-S401 VanDerWaalsContact O-CB 3.29Å; S397-S401 WeakPolarHBondContact O-CB 3.46Å; S397-S401 PolarHBondContact O-N 3.21Å; S397-S401 PolarHBondContact O-OG 3.21Å; E398-S401 WeakPolarHBondContact CA-OG 3.34Å; E398-S401 PolarHBondContact O-N 3.31Å; E398-S401 PolarHBondContact O-OG 3.13Å; I399-S401 VanDerWaalsContact C-N 3.31Å; I399-S401 PolarHBondContact O-N 3.35Å; S401-K405 WeakPolarHBondContact O-CB 3.43Å; S401-K405 PolarHBondContact O-N 2.87Å |
| 402 | L | 50.5 | Low | 42.3 | Very low | 107 Ų | 107 | 100.1 Ų | 100.1 | 56% | 0.56 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.1 | -42.1 | 173.9 | -83.9 | 162.5 | 0 | 0 | 0 | 111.4 | E398 I399 L404 K405 | E398-L402 PolarHBondContact O-N 3.4Å; I399-L402 PolarHBondContact O-N 2.89Å; L402-L404 VanDerWaalsContact C-N 3.28Å; L402-L404 PolarHBondContact O-N 3.11Å; L402-K405 PolarHBondContact O-N 2.87Å |
| 403 | L | 48.1 | Very low | 41.5 | Very low | 29 Ų | 29 | 102.3 Ų | 102.3 | 15% | 0.152 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -63.9 | -32.4 | 173 | -77.7 | 154.1 | 0 | 0 | 0 | 112.4 | L314 W375 I399 V432 T436 | L314-L403 HydrophobicContact CD1-CB 3.84Å; L314-L403 HydrophobicContact CD1-CD1 3.97Å; L314-L403 HydrophobicContact CD1-CD2 3.94Å; L314-L403 HydrophobicContact CD1-CG 4.15Å; L314-L403 HydrophobicContact CG-CD2 4.01Å; W375-L403 HydrophobicContact CH2-CD2 3.1Å; W375-L403 HydrophobicContact CH2-CG 3.73Å; W375-L403 HydrophobicContact CZ2-CD2 3.96Å; W375-L403 HydrophobicContact CZ3-CD2 3.44Å; W375-L403 VanDerWaalsContact CZ3-CD2 3.44Å; W375-L403 HydrophobicContact CZ3-CG 3.91Å; I399-L403 HydrophobicContact CG2-CD1 3.73Å; I399-L403 WeakPolarHBondContact O-CB 3.49Å; I399-L403 WeakPolarHBondContact O-CD1 3.39Å; I399-L403 WeakPolarHBondContact O-CG 3.47Å; I399-L403 PolarHBondContact O-N 3.18Å; L403-V432 HydrophobicContact CD1-CG1 3.33Å; L403-T436 HydrophobicContact CD1-CG2 4.23Å; L403-T436 HydrophobicContact CD2-CG2 4.36Å |
| 404 | L | 45.8 | Very low | 40.8 | Very low | 104 Ų | 104 | 104.3 Ų | 104.3 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -85.8 | -21.7 | 176.1 | -74.1 | 163.9 | 0 | 0 | 0 | 113.7 | A400 L402 Q406 R407 | A400-L404 WeakPolarHBondContact O-CB 3.4Å; A400-L404 WeakPolarHBondContact O-CD1 3.49Å; A400-L404 WeakPolarHBondContact O-CG 3.39Å; A400-L404 PolarHBondContact O-N 3.39Å; L402-L404 VanDerWaalsContact C-N 3.28Å; L402-L404 PolarHBondContact O-N 3.11Å; L404-Q406 VanDerWaalsContact C-N 3.29Å; L404-Q406 PolarHBondContact O-N 2.94Å; L404-R407 WeakPolarHBondContact O-CB 3.42Å; L404-R407 PolarHBondContact O-N 3.23Å |
| 405 | K | 44.6 | Very low | 40 | Very low | 166 Ų | 166 | 107 Ų | 107 | 72% | 0.722 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -71.9 | -12.2 | -175 | -114.2 | 177.8 | 175.5 | 174.5 | 0 | 115.4 | S401 L402 R407 | S401-K405 WeakPolarHBondContact O-CB 3.43Å; S401-K405 PolarHBondContact O-N 2.87Å; L402-K405 PolarHBondContact O-N 2.87Å; K405-R407 PolarHBondContact O-N 3.48Å |
| 406 | Q | 42.1 | Very low | 39.2 | Very low | 167 Ų | 167 | 111.4 Ų | 111.4 | 78% | 0.78 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -75.8 | 11.3 | 168.1 | -79.4 | -168 | -5 | 0 | 0 | 113.5 | L404 E408 | L404-Q406 VanDerWaalsContact C-N 3.29Å; L404-Q406 PolarHBondContact O-N 2.94Å; Q406-E408 VanDerWaalsContact C-N 3.3Å; Q406-E408 PolarHBondContact O-N 2.77Å |
| 407 | R | 41.4 | Very low | 38.2 | Very low | 213 Ų | 213 | 113.6 Ų | 113.6 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -71.6 | -15.3 | 172 | -116.5 | 176.7 | 172.9 | 178.1 | -1.3 | 115.1 | L404 K405 | L404-R407 WeakPolarHBondContact O-CB 3.42Å; L404-R407 PolarHBondContact O-N 3.23Å; K405-R407 PolarHBondContact O-N 3.48Å |
| 408 | E | 34.8 | Very low | 37.4 | Very low | 182 Ų | 182 | 118.8 Ų | 118.8 | 85% | 0.85 | 65% | 0.651 | S | S | * | * | trans | -117 | 69.5 | -168.9 | -68.2 | -173.8 | 172 | 0 | 0 | 112.4 | Q406 | Q406-E408 VanDerWaalsContact C-N 3.3Å; Q406-E408 PolarHBondContact O-N 2.77Å | ||
| 409 | S | 31.3 | Very low | 36.3 | Very low | 106 Ų | 106 | 118 Ų | 118 | 74% | 0.741 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -146.5 | 42.5 | 159.2 | 62.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 410 | D | 27.6 | Very low | 35.2 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | trans | -137.7 | 103.8 | 161.5 | -103.2 | -28.3 | 0 | 0 | 0 | 110.7 | S412 | D410-S412 PolarHBondContact O-N 3.21Š| ||
| 411 | P | 31.1 | Very low | 34.4 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 89% | 0.89 | 72% | 0.723 | S | S | * | * | trans | -83.8 | 40.7 | -176.5 | 34.5 | -34.1 | 0 | 0 | 0 | 112.7 | ||||
| 412 | S | 31.6 | Very low | 33.4 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | -146.2 | 47.7 | -179.9 | 68 | 0 | 0 | 0 | 0 | 115.4 | D410 | D410-S412 PolarHBondContact O-N 3.21Š| ||
| 413 | S | 26.5 | Very low | 32.4 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -150.1 | 108.1 | 151.8 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | T415 | S413-T415 PolarHBondContact O-N 3Š| ||
| 414 | N | 27.4 | Very low | 31.5 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | -81.9 | 105 | 166.6 | -92.6 | -17.5 | 0 | 0 | 0 | 107.9 | ||||
| 415 | T | 26.4 | Very low | 30.7 | Very low | 118 Ų | 118 | 143 Ų | 143 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | trans | -171.8 | 129.5 | 148 | 13.3 | 0 | 0 | 0 | 0 | 110.5 | S413 | S413-T415 PolarHBondContact O-N 3Š| ||
| 416 | P | 28.5 | Very low | 30.2 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -86.5 | 117.5 | 174.5 | 33 | -26.6 | 0 | 0 | 0 | 108.9 | ||||
| 417 | T | 24.8 | Very low | 29.6 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | trans | -135.8 | 91.8 | 168.1 | -16.3 | 0 | 0 | 0 | 0 | 110.4 | S419 | T417-S419 WeakPolarHBondContact CG2-OG 3.44Å; T417-S419 PolarHBondContact O-N 3.44Å | ||
| 418 | L | 28.5 | Very low | 29 | Very low | 189 Ų | 189 | 139 Ų | 139 | 99% | 0.99 | 80% | 0.797 | S | S | * | * | trans | -76.8 | 82.6 | 158.1 | -108.9 | 122.7 | 0 | 0 | 0 | 107.5 | ||||
| 419 | S | 26.8 | Very low | 29.3 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | trans | -167.2 | 35.4 | 171.1 | 59.1 | 0 | 0 | 0 | 0 | 116.3 | T417 | T417-S419 WeakPolarHBondContact CG2-OG 3.44Å; T417-S419 PolarHBondContact O-N 3.44Å | ||
| 420 | L | 26.1 | Very low | 30 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -140.3 | 46.5 | 173.1 | -80.2 | 172 | 0 | 0 | 0 | 113.2 | ||||
| 421 | L | 29.9 | Very low | 31.8 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | trans | -120.1 | 51.3 | 163.6 | -79.5 | 168.4 | 0 | 0 | 0 | 109.9 | ||||
| 422 | E | 28.4 | Very low | 33.3 | Very low | 199 Ų | 199 | 125 Ų | 125 | 93% | 0.93 | 73% | 0.726 | S | S | * | * | trans | -117.9 | 91.4 | 162.8 | -72 | -176.4 | 170.3 | 0 | 0 | 106.3 | ||||
| 423 | G | 28.5 | Very low | 35.1 | Very low | 75 Ų | 75 | 120.4 Ų | 120.4 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -172.9 | -29.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 424 | E | 29.9 | Very low | 37.1 | Very low | 165 Ų | 165 | 117.6 Ų | 117.6 | 77% | 0.771 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -127.8 | 123.8 | 165.9 | -71.1 | -176.5 | 172.1 | 0 | 0 | 107.1 | Y426 | E424-Y426 PolarHBondContact O-N 3.09Å; E424-Y426 VanDerWaalsContact O-N 3.07Å |
| 425 | A | 29.4 | Very low | 39 | Very low | 92 Ų | 92 | 114.1 Ų | 114.1 | 76% | 0.76 | 65% | 0.653 | S | S | * | * | trans | -57.3 | 114.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V427 | A425-V427 VanDerWaalsContact C-N 3.29Å; A425-V427 HydrophobicContact CB-CG2 4.42Å; A425-V427 PolarHBondContact O-N 2.96Å | ||
| 426 | Y | 32.1 | Very low | 41.4 | Very low | 213 Ų | 213 | 109 Ų | 109 | 84% | 0.835 | 62% | 0.621 | S | S | * | * | trans | -65.9 | 94.4 | 162.9 | -157.9 | -93.3 | 0 | 0 | 0 | 106.8 | E424 D428 | E424-Y426 PolarHBondContact O-N 3.09Å; E424-Y426 VanDerWaalsContact O-N 3.07Å; Y426-D428 PolarHBondContact O-N 3.02Å | ||
| 427 | V | 30.9 | Very low | 44 | Very low | 94 Ų | 94 | 102.9 Ų | 102.9 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | trans | -80.1 | 114.8 | 169.1 | -177.1 | 0 | 0 | 0 | 0 | 106.2 | A425 G429 | A425-V427 VanDerWaalsContact C-N 3.29Å; A425-V427 HydrophobicContact CB-CG2 4.42Å; A425-V427 PolarHBondContact O-N 2.96Å; V427-G429 PolarHBondContact O-N 2.73Å | ||
| 428 | D | 29.2 | Very low | 46.8 | Very low | 155 Ų | 155 | 99.8 Ų | 99.8 | 83% | 0.829 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | 109.6 | 179.6 | -147.4 | 7.8 | 0 | 0 | 0 | 109.7 | Y426 | Y426-D428 PolarHBondContact O-N 3.02Š|
| 429 | G | 40.5 | Very low | 49.6 | Very low | 73 Ų | 73 | 92 Ų | 92 | 75% | 0.753 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.5 | 3.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | V427 | V427-G429 PolarHBondContact O-N 2.73Š|
| 430 | E | 46.5 | Very low | 52.7 | Low | 129 Ų | 129 | 88 Ų | 88 | 60% | 0.603 | 49% | 0.49 | S | S | * | . | trans | -73.6 | 128.5 | 173.9 | -76.7 | -166.8 | 165.4 | 0 | 0 | 112.8 | ||||
| 431 | D | 63.8 | Low | 55.7 | Low | 54 Ų | 54 | 79.9 Ų | 79.9 | 29% | 0.289 | 45% | 0.448 | S | S | . | . | trans | -66.4 | 132 | 176.4 | -170 | -34.5 | 0 | 0 | 0 | 110.6 | I433 S434 M435 R481 | D431-I433 PolarHBondContact O-N 3.12Å; D431-I433 VanDerWaalsContact O-N 3.1Å; D431-I433 WeakPolarHBondContact OD1-CB 3.5Å; D431-I433 PolarHBondContact OD1-N 3.26Å; D431-S434 WeakPolarHBondContact O-CA 3.32Å; D431-S434 VanDerWaalsContact O-CB 3.31Å; D431-S434 WeakPolarHBondContact O-CB 3.22Å; D431-S434 PolarHBondContact O-N 3.13Å; D431-M435 PolarHBondContact O-N 3.44Å; D431-R481 IonicContact OD1-NH1 3.4Å; D431-R481 PolarHBondContact OD1-NH1 3.48Å; D431-R481 IonicContact OD2-CZ 3.43Å; D431-R481 IonicContact OD2-NH1 2.77Å; D431-R481 PolarHBondContact OD2-NH1 3.39Å; D431-R481 IonicContact OD2-NH2 3.46Å; D431-R481 PolarHBondContact OD2-NH2 2.97Å | ||
| 432 | V | 63.1 | Low | 58.6 | Low | 17 Ų | 17 | 71.4 Ų | 71.4 | 10% | 0.103 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -55.6 | -30.1 | -179.9 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | I399 A400 L403 S434 M435 T436 | I399-V432 HydrophobicContact CB-CB 4.14Å; I399-V432 HydrophobicContact CB-CG1 4.03Å; I399-V432 HydrophobicContact CB-CG2 4.37Å; I399-V432 HydrophobicContact CG2-CB 3.85Å; I399-V432 HydrophobicContact CG2-CG1 3.37Å; A400-V432 HydrophobicContact CB-CG2 4.48Å; L403-V432 HydrophobicContact CD1-CG1 3.33Å; V432-S434 VanDerWaalsContact C-N 3.35Å; V432-M435 PolarHBondContact O-N 2.9Å; V432-T436 PolarHBondContact O-N 3.1Å; V432-T436 VanDerWaalsContact O-N 3.15Å; V432-T436 PolarHBondContact O-OG1 3.35Å |
| 433 | I | 68.8 | Low | 61.6 | Low | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.046 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 174 | -66.3 | 167.8 | 0 | 0 | 0 | 110.5 | I379 L383 I399 D431 T436 A437 F478 | I379-I433 HydrophobicContact CG2-CG1 4.47Å; L383-I433 HydrophobicContact CD2-CD1 4.01Å; I399-I433 HydrophobicContact CD1-CD1 4.44Å; I399-I433 HydrophobicContact CD1-CG1 4.28Å; D431-I433 PolarHBondContact O-N 3.12Å; D431-I433 VanDerWaalsContact O-N 3.1Å; D431-I433 WeakPolarHBondContact OD1-CB 3.5Å; D431-I433 PolarHBondContact OD1-N 3.26Å; I433-T436 PolarHBondContact O-N 3.38Å; I433-T436 PolarHBondContact O-OG1 2.87Å; I433-A437 VanDerWaalsContact O-CB 3.23Å; I433-A437 WeakPolarHBondContact O-CB 3.26Å; I433-A437 PolarHBondContact O-N 3.33Å; I433-F478 HydrophobicContact CG2-CD1 4.11Å; I433-F478 HydrophobicContact CG2-CE1 3.9Å |
| 434 | S | 68.8 | Low | 64.7 | Low | 44 Ų | 44 | 58.4 Ų | 58.4 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.5 | -37.4 | 177.6 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | D431 V432 T436 | D431-S434 WeakPolarHBondContact O-CA 3.32Å; D431-S434 VanDerWaalsContact O-CB 3.31Å; D431-S434 WeakPolarHBondContact O-CB 3.22Å; D431-S434 PolarHBondContact O-N 3.13Å; V432-S434 VanDerWaalsContact C-N 3.35Å; S434-T436 VanDerWaalsContact C-N 3.33Å; S434-T436 PolarHBondContact O-N 3.28Å |
| 435 | M | 67.3 | Low | 67.7 | Low | 96 Ų | 96 | 51.6 Ų | 51.6 | 47% | 0.473 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.7 | -31.8 | 175.7 | -62.6 | -175.2 | 76.3 | 0 | 0 | 113.2 | D431 V432 | D431-M435 PolarHBondContact O-N 3.44Å; V432-M435 PolarHBondContact O-N 2.9Å |
| 436 | T | 77.5 | Confident | 70.7 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -94.5 | -22.1 | -177.9 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | L314 L403 V432 I433 S434 N438 R439 L440 | L314-T436 HydrophobicContact CD2-CG2 3.79Å; L403-T436 HydrophobicContact CD1-CG2 4.23Å; L403-T436 HydrophobicContact CD2-CG2 4.36Å; V432-T436 PolarHBondContact O-N 3.1Å; V432-T436 VanDerWaalsContact O-N 3.15Å; V432-T436 PolarHBondContact O-OG1 3.35Å; I433-T436 PolarHBondContact O-N 3.38Å; I433-T436 PolarHBondContact O-OG1 2.87Å; S434-T436 VanDerWaalsContact C-N 3.33Å; S434-T436 PolarHBondContact O-N 3.28Å; T436-N438 PolarHBondContact O-N 3.48Å; T436-R439 WeakPolarHBondContact O-CB 3.41Å; T436-R439 PolarHBondContact O-N 2.97Å; T436-R439 VanDerWaalsContact O-N 3.16Å; T436-L440 WeakPolarHBondContact O-CG 3.1Å; T436-L440 PolarHBondContact O-N 3.2Å |
| 437 | A | 82.8 | Confident | 73.6 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.3 | -47.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I433 R439 L440 S441 F478 I485 | I433-A437 VanDerWaalsContact O-CB 3.23Å; I433-A437 WeakPolarHBondContact O-CB 3.26Å; I433-A437 PolarHBondContact O-N 3.33Å; A437-R439 PolarHBondContact O-N 3.2Å; A437-L440 PolarHBondContact O-N 3.41Å; A437-S441 WeakPolarHBondContact O-CB 3.28Å; A437-S441 PolarHBondContact O-N 3.02Å; A437-S441 PolarHBondContact O-OG 3.37Å; A437-F478 HydrophobicContact CB-CB 4.27Å; A437-F478 HydrophobicContact CB-CD1 3.8Å; A437-F478 HydrophobicContact CB-CD2 4.15Å; A437-F478 HydrophobicContact CB-CE1 4.14Å; A437-F478 HydrophobicContact CB-CE2 4.47Å; A437-F478 HydrophobicContact CB-CG 3.81Å; A437-F478 HydrophobicContact CB-CZ 4.47Å; A437-I485 HydrophobicContact CB-CD1 3.89Å |
| 438 | N | 83.2 | Confident | 76.4 | Confident | 45 Ų | 45 | 33.9 Ų | 33.9 | 24% | 0.241 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 179.6 | -73 | -26.1 | 0 | 0 | 0 | 112.4 | Y318 T436 S441 A442 N482 I485 | Y318-N438 HydrophobicContact CE1-CB 4.3Å; Y318-N438 HydrophobicContact CE2-CB 3.79Å; Y318-N438 WeakPolarHBondContact CE2-O 3.39Å; T436-N438 PolarHBondContact O-N 3.48Å; N438-S441 PolarHBondContact O-N 2.75Å; N438-A442 PolarHBondContact O-N 3.35Å; N438-A442 VanDerWaalsContact O-N 3.14Å; N438-N482 PolarHBondContact OD1-ND2 3.47Å; N438-I485 WeakPolarHBondContact OD1-CG1 3.27Å |
| 439 | R | 88.9 | Confident | 79.2 | Confident | 24 Ų | 24 | 28 Ų | 28 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -50.3 | 177.8 | -71.4 | 168.4 | -179.4 | -85.5 | -0.8 | 111.2 | L311 S313 S316 Y318 T436 A437 S441 A442 V443 | L311-R439 HydrophobicContact CD1-CG 4.24Å; L311-R439 HydrophobicContact CG-CB 4.17Å; L311-R439 HydrophobicContact CG-CG 4.37Å; L311-R439 WeakPolarHBondContact O-CB 3.38Å; L311-R439 WeakPolarHBondContact O-CD 3.42Å; L311-R439 PolarHBondContact O-NH1 3.38Å; S313-R439 PolarHBondContact O-NH1 3.47Å; S316-R439 PolarHBondContact O-NH1 3.3Å; S316-R439 PolarHBondContact O-NH2 2.76Å; S316-R439 PolarHBondContact OG-NH1 3.13Å; S316-R439 VanDerWaalsContact OG-NH1 3.08Å; Y318-R439 HydrophobicContact CD2-CB 4.45Å; Y318-R439 HydrophobicContact CD2-CG 3.62Å; Y318-R439 HydrophobicContact CE2-CG 4.39Å; Y318-R439 HydrophobicContact CG-CG 4.37Å; T436-R439 WeakPolarHBondContact O-CB 3.41Å; T436-R439 PolarHBondContact O-N 2.97Å; T436-R439 VanDerWaalsContact O-N 3.16Å; A437-R439 PolarHBondContact O-N 3.2Å; R439-S441 VanDerWaalsContact C-N 3.32Å; R439-S441 PolarHBondContact O-N 2.73Å; R439-A442 PolarHBondContact O-N 2.95Å; R439-V443 PolarHBondContact O-N 3.38Å |
| 440 | L | 90.3 | Very high | 81.5 | Confident | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 178.6 | -69.4 | 168.1 | 0 | 0 | 0 | 111.3 | L312 L372 W375 L376 I379 T436 A437 A442 V443 I444 F478 | L312-L440 HydrophobicContact CD2-CD2 3.42Å; L312-L440 VanDerWaalsContact CD2-CD2 3.42Å; L372-L440 HydrophobicContact CD1-CD2 3.83Å; W375-L440 HydrophobicContact CB-CD2 3.92Å; W375-L440 HydrophobicContact CG-CD2 4.27Å; L376-L440 HydrophobicContact CD2-CD1 4.45Å; I379-L440 HydrophobicContact CD1-CD1 3.44Å; I379-L440 VanDerWaalsContact CD1-CD1 3.44Å; T436-L440 WeakPolarHBondContact O-CG 3.1Å; T436-L440 PolarHBondContact O-N 3.2Å; A437-L440 PolarHBondContact O-N 3.41Å; L440-A442 VanDerWaalsContact C-N 3.33Å; L440-A442 PolarHBondContact O-N 3.2Å; L440-V443 PolarHBondContact O-N 2.92Å; L440-V443 VanDerWaalsContact O-N 3.12Å; L440-I444 VanDerWaalsContact O-CG1 3.28Å; L440-I444 WeakPolarHBondContact O-CG1 3.39Å; L440-I444 PolarHBondContact O-N 3.13Å; L440-F478 HydrophobicContact CB-CE2 3.88Å; L440-F478 HydrophobicContact CB-CZ 4.29Å; L440-F478 HydrophobicContact CD1-CE2 4.14Å; L440-F478 HydrophobicContact CD1-CZ 3.67Å |
| 441 | S | 90.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.1 | -39.1 | 178.8 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | A437 N438 R439 I444 Q445 I485 F490 | A437-S441 WeakPolarHBondContact O-CB 3.28Å; A437-S441 PolarHBondContact O-N 3.02Å; A437-S441 PolarHBondContact O-OG 3.37Å; N438-S441 PolarHBondContact O-N 2.75Å; R439-S441 VanDerWaalsContact C-N 3.32Å; R439-S441 PolarHBondContact O-N 2.73Å; S441-I444 PolarHBondContact O-N 3.09Å; S441-Q445 WeakPolarHBondContact O-CB 3.25Å; S441-Q445 PolarHBondContact O-N 3.18Å; S441-I485 WeakPolarHBondContact OG-CG2 3.4Å; S441-F490 WeakPolarHBondContact OG-CZ 3.36Å |
| 442 | A | 90 | Very high | 84.4 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L311 M322 N438 R439 L440 Q445 A446 | L311-A442 HydrophobicContact CD2-CB 3.65Å; M322-A442 HydrophobicContact CB-CB 4.37Å; M322-A442 HydrophobicContact CG-CB 3.79Å; N438-A442 PolarHBondContact O-N 3.35Å; N438-A442 VanDerWaalsContact O-N 3.14Å; R439-A442 PolarHBondContact O-N 2.95Å; L440-A442 VanDerWaalsContact C-N 3.33Å; L440-A442 PolarHBondContact O-N 3.2Å; A442-Q445 PolarHBondContact O-N 2.71Å; A442-A446 PolarHBondContact O-N 3.47Å |
| 443 | V | 92.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.8 | -38.8 | 173.8 | -172.5 | 0 | 0 | 0 | 0 | 111.3 | L311 L312 L325 L368 W369 L372 R439 L440 Q445 A446 F447 | L311-V443 HydrophobicContact CB-CG2 4.37Å; L311-V443 HydrophobicContact CD2-CG2 3.87Å; L311-V443 HydrophobicContact CG-CG2 4.42Å; L312-V443 HydrophobicContact CD2-CG2 3.96Å; L312-V443 HydrophobicContact CG-CG2 4.32Å; L325-V443 HydrophobicContact CD2-CG2 4.19Å; L368-V443 HydrophobicContact CD1-CG1 4.1Å; L368-V443 HydrophobicContact CD2-CG1 4.07Å; L368-V443 HydrophobicContact CG-CG1 3.97Å; W369-V443 HydrophobicContact CE3-CG1 4.42Å; W369-V443 HydrophobicContact CZ3-CG1 4Å; L372-V443 HydrophobicContact CB-CG1 4.37Å; L372-V443 HydrophobicContact CD1-CB 4.31Å; L372-V443 HydrophobicContact CD1-CG1 4.31Å; L372-V443 HydrophobicContact CD2-CG1 4.09Å; L372-V443 HydrophobicContact CG-CG1 4.49Å; R439-V443 PolarHBondContact O-N 3.38Å; L440-V443 PolarHBondContact O-N 2.92Å; L440-V443 VanDerWaalsContact O-N 3.12Å; V443-Q445 VanDerWaalsContact C-N 3.33Å; V443-Q445 PolarHBondContact O-N 2.9Å; V443-A446 WeakPolarHBondContact O-CB 3.44Å; V443-A446 PolarHBondContact O-N 3.02Å; V443-F447 PolarHBondContact O-N 2.77Å |
| 444 | I | 93.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 173.6 | -67.1 | 159.1 | 0 | 0 | 0 | 110.6 | L372 L376 L440 S441 A446 F447 Y448 F464 F467 L475 F490 F492 | L372-I444 HydrophobicContact CD1-CG1 4.03Å; L372-I444 HydrophobicContact CD2-CG1 3.83Å; L372-I444 HydrophobicContact CG-CG1 4.43Å; L376-I444 HydrophobicContact CD1-CD1 4.29Å; L376-I444 HydrophobicContact CD2-CD1 4.4Å; L440-I444 VanDerWaalsContact O-CG1 3.28Å; L440-I444 WeakPolarHBondContact O-CG1 3.39Å; L440-I444 PolarHBondContact O-N 3.13Å; S441-I444 PolarHBondContact O-N 3.09Å; I444-A446 PolarHBondContact O-N 3.33Å; I444-F447 WeakPolarHBondContact O-CB 3.4Å; I444-F447 PolarHBondContact O-N 3.4Å; I444-Y448 PolarHBondContact O-N 3.16Å; I444-F464 HydrophobicContact CG2-CE2 4.36Å; I444-F464 HydrophobicContact CG2-CZ 4.24Å; I444-F467 HydrophobicContact CG1-CE1 4.3Å; I444-F467 HydrophobicContact CG1-CZ 4.35Å; I444-F467 HydrophobicContact CG2-CE1 4.26Å; I444-L475 HydrophobicContact CD1-CD2 3.73Å; I444-F490 HydrophobicContact CB-CE1 3.98Å; I444-F490 HydrophobicContact CD1-CE1 3.99Å; I444-F490 HydrophobicContact CD1-CZ 3.87Å; I444-F490 HydrophobicContact CG2-CD1 4.38Å; I444-F490 HydrophobicContact CG2-CE1 3.77Å; I444-F492 HydrophobicContact CG2-CE1 3.91Å; I444-F492 HydrophobicContact CG2-CZ 3.79Å |
| 445 | Q | 92.1 | Very high | 86.6 | Confident | 22 Ų | 22 | 19.1 Ų | 19.1 | 10% | 0.103 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.1 | -176.2 | 179.9 | 10.3 | 0 | 0 | 111.4 | L326 S441 A442 V443 F447 Y448 M449 H489 | L326-Q445 HydrophobicContact CD2-CB 4.11Å; L326-Q445 HydrophobicContact CD2-CG 3.92Å; S441-Q445 WeakPolarHBondContact O-CB 3.25Å; S441-Q445 PolarHBondContact O-N 3.18Å; A442-Q445 PolarHBondContact O-N 2.71Å; V443-Q445 VanDerWaalsContact C-N 3.33Å; V443-Q445 PolarHBondContact O-N 2.9Å; Q445-F447 VanDerWaalsContact C-N 3.3Å; Q445-F447 PolarHBondContact O-N 2.77Å; Q445-Y448 WeakPolarHBondContact O-CB 3.48Å; Q445-Y448 PolarHBondContact O-N 3.34Å; Q445-M449 HydrophobicContact CG-SD 4.27Å; Q445-M449 VanDerWaalsContact O-CG 3.27Å; Q445-M449 WeakPolarHBondContact O-CG 3.29Å; Q445-M449 PolarHBondContact O-N 3.32Å; Q445-H489 PolarHBondContact OE1-ND1 2.99Å |
| 446 | A | 92.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.1 | -37.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L325 L326 V329 W369 A442 V443 I444 S450 | L325-A446 HydrophobicContact CD1-CB 4.5Å; L325-A446 HydrophobicContact CD2-CB 4.08Å; L325-A446 HydrophobicContact CG-CB 4.14Å; L326-A446 HydrophobicContact CD2-CB 4.33Å; V329-A446 HydrophobicContact CG1-CB 4.45Å; V329-A446 HydrophobicContact CG2-CB 4.04Å; W369-A446 HydrophobicContact CH2-CB 4.06Å; W369-A446 HydrophobicContact CZ3-CB 4.4Å; A442-A446 PolarHBondContact O-N 3.47Å; V443-A446 WeakPolarHBondContact O-CB 3.44Å; V443-A446 PolarHBondContact O-N 3.02Å; I444-A446 PolarHBondContact O-N 3.33Å; A446-S450 WeakPolarHBondContact O-CB 3.42Å; A446-S450 PolarHBondContact O-N 2.72Å; A446-S450 VanDerWaalsContact O-N 3.1Å; A446-S450 PolarHBondContact O-OG 3.22Å |
| 447 | F | 92.9 | Very high | 86.4 | Confident | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.9 | -47.6 | 174.9 | -177.8 | -133.4 | 0 | 0 | 0 | 111.4 | W369 V443 I444 Q445 M449 S450 C451 F464 F467 | W369-F447 HydrophobicContact CB-CD2 4.29Å; W369-F447 HydrophobicContact CB-CE2 4.22Å; W369-F447 AromaticContact CD1-CD2 3.76Å; W369-F447 AromaticContact CD1-CE2 3.71Å; W369-F447 HydrophobicContact CD2-CB 4.17Å; W369-F447 AromaticContact CD2-CD2 3.39Å; W369-F447 HydrophobicContact CD2-CD2 3.39Å; W369-F447 HydrophobicContact CD2-CE2 4.09Å; W369-F447 HydrophobicContact CD2-CG 4.06Å; W369-F447 AromaticContact CE2-CD2 3.56Å; W369-F447 HydrophobicContact CE3-CB 3.7Å; W369-F447 AromaticContact CE3-CD2 3.84Å; W369-F447 HydrophobicContact CE3-CD2 3.84Å; W369-F447 HydrophobicContact CE3-CG 4.02Å; W369-F447 AromaticContact CG-CD2 3.57Å; W369-F447 HydrophobicContact CG-CD2 3.57Å; W369-F447 AromaticContact CG-CE2 3.75Å; W369-F447 HydrophobicContact CG-CE2 3.75Å; W369-F447 HydrophobicContact CG-CG 4.45Å; W369-F447 HydrophobicContact CH2-CB 4.06Å; W369-F447 HydrophobicContact CZ2-CB 4.47Å; W369-F447 HydrophobicContact CZ2-CD2 4.16Å; W369-F447 HydrophobicContact CZ3-CB 3.64Å; W369-F447 HydrophobicContact CZ3-CD2 4.4Å; W369-F447 HydrophobicContact CZ3-CG 4.42Å; W369-F447 AromaticContact NE1-CD2 3.75Å; V443-F447 PolarHBondContact O-N 2.77Å; I444-F447 WeakPolarHBondContact O-CB 3.4Å; I444-F447 PolarHBondContact O-N 3.4Å; Q445-F447 VanDerWaalsContact C-N 3.3Å; Q445-F447 PolarHBondContact O-N 2.77Å; F447-M449 PolarHBondContact O-N 3.07Å; F447-S450 PolarHBondContact O-N 3.39Å; F447-C451 WeakPolarHBondContact CE2-SG 3.17Å; F447-C451 PolarHBondContact O-N 3.48Å; F447-F464 AromaticContact CD1-CD2 3.54Å; F447-F464 HydrophobicContact CD1-CD2 3.54Å; F447-F464 AromaticContact CD1-CE2 3.69Å; F447-F464 HydrophobicContact CD1-CE2 3.69Å; F447-F464 AromaticContact CE1-CD2 3.71Å; F447-F464 HydrophobicContact CE1-CD2 3.71Å; F447-F464 HydrophobicContact CE1-CE2 4.26Å; F447-F464 HydrophobicContact CG-CD2 4.31Å; F447-F464 HydrophobicContact CG-CE2 4.42Å; F447-F467 AromaticContact CD1-CD1 3.99Å; F447-F467 HydrophobicContact CD1-CD1 3.99Å; F447-F467 HydrophobicContact CD1-CD2 4.45Å; F447-F467 HydrophobicContact CD1-CE1 4.1Å; F447-F467 HydrophobicContact CD1-CG 4.17Å; F447-F467 HydrophobicContact CD1-CZ 4.36Å; F447-F467 HydrophobicContact CE1-CB 3.89Å; F447-F467 AromaticContact CE1-CD1 3.88Å; F447-F467 HydrophobicContact CE1-CD1 3.88Å; F447-F467 AromaticContact CE1-CD2 3.92Å; F447-F467 HydrophobicContact CE1-CD2 3.92Å; F447-F467 HydrophobicContact CE1-CE1 4.38Å; F447-F467 HydrophobicContact CE1-CE2 4.4Å; F447-F467 AromaticContact CE1-CG 3.62Å; F447-F467 HydrophobicContact CE1-CG 3.62Å |
| 448 | Y | 90.3 | Very high | 85.5 | Confident | 21 Ų | 21 | 29.5 Ų | 29.5 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -52.4 | -53.1 | 174.2 | 172.3 | -115.3 | 0 | 0 | 0 | 111.4 | I444 Q445 S450 C451 S452 T460 F464 H491 F492 E495 | I444-Y448 PolarHBondContact O-N 3.16Å; Q445-Y448 WeakPolarHBondContact O-CB 3.48Å; Q445-Y448 PolarHBondContact O-N 3.34Å; Y448-S450 VanDerWaalsContact C-N 3.28Å; Y448-S450 PolarHBondContact O-N 3.18Å; Y448-C451 PolarHBondContact O-N 2.88Å; Y448-C451 VanDerWaalsContact O-N 3.15Å; Y448-S452 WeakPolarHBondContact CD2-OG 3.35Å; Y448-S452 WeakPolarHBondContact CE2-OG 3.21Å; Y448-S452 WeakPolarHBondContact O-CB 3.43Å; Y448-S452 PolarHBondContact O-N 3.24Å; Y448-S452 PolarHBondContact O-OG 3.08Å; Y448-S452 VanDerWaalsContact O-OG 3.07Å; Y448-T460 HydrophobicContact CE2-CG2 4.45Å; Y448-F464 AromaticContact CD2-CD1 3.71Å; Y448-F464 HydrophobicContact CD2-CD1 3.71Å; Y448-F464 AromaticContact CD2-CE1 3.57Å; Y448-F464 HydrophobicContact CD2-CE1 3.57Å; Y448-F464 HydrophobicContact CD2-CE2 4.43Å; Y448-F464 HydrophobicContact CD2-CG 4.2Å; Y448-F464 AromaticContact CD2-CZ 3.97Å; Y448-F464 HydrophobicContact CD2-CZ 3.97Å; Y448-F464 HydrophobicContact CE2-CD1 4.44Å; Y448-F464 HydrophobicContact CE2-CE1 4.43Å; Y448-F464 HydrophobicContact CG-CE1 4.21Å; Y448-F464 HydrophobicContact CG-CZ 4.17Å; Y448-H491 AromaticContact CD1-NE2 3.99Å; Y448-H491 AromaticContact CE1-NE2 3.63Å; Y448-F492 HydrophobicContact CD1-CB 3.72Å; Y448-F492 HydrophobicContact CD1-CD1 4.1Å; Y448-F492 HydrophobicContact CD1-CG 4.31Å; Y448-F492 HydrophobicContact CD2-CB 3.64Å; Y448-F492 HydrophobicContact CD2-CD1 4.41Å; Y448-F492 HydrophobicContact CD2-CG 4.09Å; Y448-F492 HydrophobicContact CE1-CB 3.54Å; Y448-F492 HydrophobicContact CE2-CB 3.47Å; Y448-F492 VanDerWaalsContact CE2-CB 3.47Å; Y448-F492 HydrophobicContact CE2-CG 4.39Å; Y448-F492 HydrophobicContact CG-CB 3.75Å; Y448-F492 AromaticContact CG-CD1 3.92Å; Y448-F492 HydrophobicContact CG-CD1 3.92Å; Y448-F492 HydrophobicContact CG-CG 4.04Å; Y448-F492 VanDerWaalsContact CZ-CB 3.41Å; Y448-E495 PolarHBondContact OH-OE2 3.1Å |
| 449 | M | 88.3 | Confident | 85.1 | Confident | 31 Ų | 31 | 32.8 Ų | 32.8 | 15% | 0.153 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -40.2 | -179.5 | -66.8 | 164.7 | 63.5 | 0 | 0 | 112.5 | L326 V329 R330 C333 Q445 F447 S452 C453 | L326-M449 HydrophobicContact CD2-SD 4.23Å; V329-M449 HydrophobicContact CB-CE 4.32Å; V329-M449 HydrophobicContact CG1-CB 3.9Å; V329-M449 HydrophobicContact CG1-CE 3.95Å; V329-M449 HydrophobicContact CG1-SD 4.35Å; R330-M449 HydrophobicContact CB-CE 4.07Å; R330-M449 HydrophobicContact CG-CE 3.23Å; C333-M449 PolarHBondContact SG-O 3.43Å; Q445-M449 HydrophobicContact CG-SD 4.27Å; Q445-M449 VanDerWaalsContact O-CG 3.27Å; Q445-M449 WeakPolarHBondContact O-CG 3.29Å; Q445-M449 PolarHBondContact O-N 3.32Å; F447-M449 PolarHBondContact O-N 3.07Å; M449-S452 PolarHBondContact O-N 3.47Å; M449-C453 WeakPolarHBondContact O-CB 3.37Å; M449-C453 PolarHBondContact O-N 2.77Å |
| 450 | S | 88.4 | Confident | 84.6 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.5 | -33.2 | 179.1 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | W369 A446 F447 Y448 C453 Q454 | W369-S450 WeakPolarHBondContact CZ2-OG 3.43Å; A446-S450 WeakPolarHBondContact O-CB 3.42Å; A446-S450 PolarHBondContact O-N 2.72Å; A446-S450 VanDerWaalsContact O-N 3.1Å; A446-S450 PolarHBondContact O-OG 3.22Å; F447-S450 PolarHBondContact O-N 3.39Å; Y448-S450 VanDerWaalsContact C-N 3.28Å; Y448-S450 PolarHBondContact O-N 3.18Å; S450-C453 PolarHBondContact O-SG 2.86Å; S450-Q454 PolarHBondContact O-NE2 2.95Å |
| 451 | C | 86.7 | Confident | 84.3 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.5 | -45.4 | 172.2 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | F447 Y448 C453 Q454 F464 | F447-C451 WeakPolarHBondContact CE2-SG 3.17Å; F447-C451 PolarHBondContact O-N 3.48Å; Y448-C451 PolarHBondContact O-N 2.88Å; Y448-C451 VanDerWaalsContact O-N 3.15Å; C451-C453 VanDerWaalsContact C-N 3.29Å; C451-C453 PolarHBondContact O-N 3.08Å; C451-Q454 WeakPolarHBondContact O-CB 3.44Å; C451-Q454 PolarHBondContact O-N 3.3Å; C451-Q454 VanDerWaalsContact O-N 3.1Å; C451-F464 HydrophobicContact CB-CB 4.14Å |
| 452 | S | 84.8 | Confident | 83.9 | Confident | 19 Ų | 19 | 36.1 Ų | 36.1 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.7 | -25.1 | -177.8 | -62.8 | 0 | 0 | 0 | 0 | 113.3 | Y448 M449 Q454 M455 | Y448-S452 WeakPolarHBondContact CD2-OG 3.35Å; Y448-S452 WeakPolarHBondContact CE2-OG 3.21Å; Y448-S452 WeakPolarHBondContact O-CB 3.43Å; Y448-S452 PolarHBondContact O-N 3.24Å; Y448-S452 PolarHBondContact O-OG 3.08Å; Y448-S452 VanDerWaalsContact O-OG 3.07Å; M449-S452 PolarHBondContact O-N 3.47Å; S452-Q454 PolarHBondContact O-N 3.05Å; S452-M455 PolarHBondContact O-N 3.5Å |
| 453 | C | 84.8 | Confident | 83.8 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -15.2 | 173.8 | 77.6 | 0 | 0 | 0 | 0 | 113.8 | C333 M449 S450 C451 | C333-C453 HydrophobicContact CB-CB 3.68Å; C333-C453 VanDerWaalsContact SG-SG 3.64Å; M449-C453 WeakPolarHBondContact O-CB 3.37Å; M449-C453 PolarHBondContact O-N 2.77Å; S450-C453 PolarHBondContact O-SG 2.86Å; C451-C453 VanDerWaalsContact C-N 3.29Å; C451-C453 PolarHBondContact O-N 3.08Å |
| 454 | Q | 82.8 | Confident | 83.6 | Confident | 85 Ų | 85 | 40.2 Ų | 40.2 | 40% | 0.397 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -9.4 | 174.8 | -58.2 | 173.8 | 44.3 | 0 | 0 | 112.6 | F336 F362 S450 C451 S452 | F336-Q454 HydrophobicContact CE1-CG 4.15Å; F336-Q454 HydrophobicContact CZ-CG 4.46Å; F362-Q454 HydrophobicContact CE1-CG 4.26Å; F362-Q454 HydrophobicContact CE2-CG 4.04Å; F362-Q454 HydrophobicContact CZ-CG 3.64Å; F362-Q454 VanDerWaalsContact CZ-NE2 3.34Å; S450-Q454 PolarHBondContact O-NE2 2.95Å; C451-Q454 WeakPolarHBondContact O-CB 3.44Å; C451-Q454 PolarHBondContact O-N 3.3Å; C451-Q454 VanDerWaalsContact O-N 3.1Å; S452-Q454 PolarHBondContact O-N 3.05Å |
| 455 | M | 79.5 | Confident | 83.2 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -102.1 | 155.5 | -179.6 | -61 | -58.6 | -66.4 | 0 | 0 | 111.4 | M349 S452 M459 | M349-M455 HydrophobicContact CE-CE 4.3Å; M349-M455 HydrophobicContact CE-SD 4.43Å; S452-M455 PolarHBondContact O-N 3.5Å; M455-M459 HydrophobicContact CB-CB 4.39Å; M455-M459 WeakPolarHBondContact CB-O 3.42Å; M455-M459 HydrophobicContact CE-CB 4.18Å |
| 456 | P | 72.6 | Confident | 83 | Confident | 51 Ų | 51 | 47.6 Ų | 47.6 | 33% | 0.331 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 154.4 | 165 | -22.2 | 33.9 | 0 | 0 | 0 | 111.7 | M349 G458 M459 | M349-P456 HydrophobicContact CE-CG 4.28Å; P456-G458 PolarHBondContact O-N 3.07Å; P456-M459 HydrophobicContact CB-SD 4.42Å; P456-M459 HydrophobicContact CG-SD 4.21Å; P456-M459 PolarHBondContact O-N 2.79Å |
| 457 | Q | 67.3 | Low | 83 | Confident | 184 Ų | 184 | 48.5 Ų | 48.5 | 86% | 0.86 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 132.1 | 178.4 | -70.5 | -178.1 | -11.8 | 0 | 0 | 111.1 | M459 | Q457-M459 VanDerWaalsContact C-N 3.35Š|
| 458 | G | 64.9 | Low | 82.8 | Confident | 90 Ų | 90 | 48.2 Ų | 48.2 | 93% | 0.928 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | -0 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P456 | P456-G458 PolarHBondContact O-N 3.07Š|
| 459 | M | 73.9 | Confident | 82.7 | Confident | 114 Ų | 114 | 49.7 Ų | 49.7 | 56% | 0.562 | 28% | 0.277 | S | S | * | . | trans | -104.2 | 124 | 174.3 | -72.5 | -171.6 | 162.8 | 0 | 0 | 111.8 | M455 P456 Q457 | M455-M459 HydrophobicContact CB-CB 4.39Å; M455-M459 WeakPolarHBondContact CB-O 3.42Å; M455-M459 HydrophobicContact CE-CB 4.18Å; P456-M459 HydrophobicContact CB-SD 4.42Å; P456-M459 HydrophobicContact CG-SD 4.21Å; P456-M459 PolarHBondContact O-N 2.79Å; Q457-M459 VanDerWaalsContact C-N 3.35Å | ||
| 460 | T | 78.6 | Confident | 82.8 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 17% | 0.166 | 29% | 0.291 | C | S | . | . | trans | -75.8 | 139.3 | 170.3 | -49.7 | 0 | 0 | 0 | 0 | 110 | Y448 P462 F464 I465 C496 | Y448-T460 HydrophobicContact CE2-CG2 4.45Å; T460-P462 WeakPolarHBondContact O-CD 3.31Å; T460-F464 HydrophobicContact CG2-CD1 4.36Å; T460-I465 HydrophobicContact CG2-CD1 4.11Å; T460-I465 HydrophobicContact CG2-CG1 3.76Å; T460-C496 PolarHBondContact OG1-SG 3.34Å | ||
| 461 | S | 83.4 | Confident | 82.9 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | trans | -68.4 | 127.4 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | R463 F464 I465 | S461-R463 PolarHBondContact O-N 3.2Å; S461-R463 PolarHBondContact OG-N 3.13Å; S461-F464 WeakPolarHBondContact O-CB 3.36Å; S461-F464 PolarHBondContact O-N 2.61Å; S461-I465 PolarHBondContact O-N 3.21Å | ||
| 462 | P | 83.6 | Confident | 82.9 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 42% | 0.416 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -52 | -38.2 | 172.5 | -27.7 | 30.9 | 0 | 0 | 0 | 113.6 | Y351 T460 F464 I465 E466 | Y351-P462 WeakPolarHBondContact OH-CB 3.42Å; Y351-P462 WeakPolarHBondContact OH-CD 3.39Å; Y351-P462 VanDerWaalsContact OH-CG 3.27Å; Y351-P462 WeakPolarHBondContact OH-CG 3.47Å; T460-P462 WeakPolarHBondContact O-CD 3.31Å; P462-F464 VanDerWaalsContact C-N 3.3Å; P462-F464 PolarHBondContact O-N 2.78Å; P462-I465 PolarHBondContact O-N 2.69Å; P462-E466 PolarHBondContact O-N 3.15Å |
| 463 | R | 86.3 | Confident | 82.9 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 175.2 | 179.9 | -178.3 | 172.8 | -176.2 | -1.8 | 112.4 | E366 S461 F467 | E366-R463 IonicContact OE1-CZ 3.97Å; E366-R463 IonicContact OE1-NH1 3.1Å; E366-R463 PolarHBondContact OE1-NH1 3.44Å; E366-R463 IonicContact OE1-NH2 3.16Å; E366-R463 PolarHBondContact OE1-NH2 3.34Å; E366-R463 IonicContact OE2-CZ 3.04Å; E366-R463 IonicContact OE2-NH1 3.87Å; E366-R463 IonicContact OE2-NH2 3.93Å; E366-R463 PolarHBondContact OE2-NH2 3.5Å; S461-R463 PolarHBondContact O-N 3.2Å; S461-R463 PolarHBondContact OG-N 3.13Å; R463-F467 PolarHBondContact O-N 3.28Å; R463-F467 VanDerWaalsContact O-N 3.13Å |
| 464 | F | 88.4 | Confident | 83 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.7 | -37 | 178.6 | -173.1 | -98.7 | 0 | 0 | 0 | 111.5 | I444 F447 Y448 C451 T460 S461 P462 F467 V468 F492 | I444-F464 HydrophobicContact CG2-CE2 4.36Å; I444-F464 HydrophobicContact CG2-CZ 4.24Å; F447-F464 AromaticContact CD1-CD2 3.54Å; F447-F464 HydrophobicContact CD1-CD2 3.54Å; F447-F464 AromaticContact CD1-CE2 3.69Å; F447-F464 HydrophobicContact CD1-CE2 3.69Å; F447-F464 AromaticContact CE1-CD2 3.71Å; F447-F464 HydrophobicContact CE1-CD2 3.71Å; F447-F464 HydrophobicContact CE1-CE2 4.26Å; F447-F464 HydrophobicContact CG-CD2 4.31Å; F447-F464 HydrophobicContact CG-CE2 4.42Å; Y448-F464 AromaticContact CD2-CD1 3.71Å; Y448-F464 HydrophobicContact CD2-CD1 3.71Å; Y448-F464 AromaticContact CD2-CE1 3.57Å; Y448-F464 HydrophobicContact CD2-CE1 3.57Å; Y448-F464 HydrophobicContact CD2-CE2 4.43Å; Y448-F464 HydrophobicContact CD2-CG 4.2Å; Y448-F464 AromaticContact CD2-CZ 3.97Å; Y448-F464 HydrophobicContact CD2-CZ 3.97Å; Y448-F464 HydrophobicContact CE2-CD1 4.44Å; Y448-F464 HydrophobicContact CE2-CE1 4.43Å; Y448-F464 HydrophobicContact CG-CE1 4.21Å; Y448-F464 HydrophobicContact CG-CZ 4.17Å; C451-F464 HydrophobicContact CB-CB 4.14Å; T460-F464 HydrophobicContact CG2-CD1 4.36Å; S461-F464 WeakPolarHBondContact O-CB 3.36Å; S461-F464 PolarHBondContact O-N 2.61Å; P462-F464 VanDerWaalsContact C-N 3.3Å; P462-F464 PolarHBondContact O-N 2.78Å; F464-F467 HydrophobicContact CD2-CD1 4.43Å; F464-F467 HydrophobicContact CE2-CD1 4.21Å; F464-F467 WeakPolarHBondContact O-CB 3.44Å; F464-F467 PolarHBondContact O-N 3.37Å; F464-V468 HydrophobicContact CD1-CG2 4Å; F464-V468 HydrophobicContact CE1-CG2 3.53Å; F464-V468 HydrophobicContact CZ-CG2 3.81Å; F464-V468 WeakPolarHBondContact O-CG2 3.47Å; F464-V468 PolarHBondContact O-N 3.2Å; F464-F492 HydrophobicContact CE1-CD1 4.35Å; F464-F492 AromaticContact CE1-CD2 3.48Å; F464-F492 HydrophobicContact CE1-CD2 3.48Å; F464-F492 VanDerWaalsContact CE1-CD2 3.48Å; F464-F492 HydrophobicContact CE1-CE1 4.47Å; F464-F492 AromaticContact CE1-CE2 3.64Å; F464-F492 HydrophobicContact CE1-CE2 3.64Å; F464-F492 AromaticContact CE1-CG 3.89Å; F464-F492 HydrophobicContact CE1-CG 3.89Å; F464-F492 HydrophobicContact CE1-CZ 4.16Å; F464-F492 HydrophobicContact CZ-CD1 4.13Å; F464-F492 AromaticContact CZ-CD2 3.9Å; F464-F492 HydrophobicContact CZ-CD2 3.9Å; F464-F492 AromaticContact CZ-CE1 3.92Å; F464-F492 HydrophobicContact CZ-CE1 3.92Å; F464-F492 AromaticContact CZ-CE2 3.69Å; F464-F492 HydrophobicContact CZ-CE2 3.69Å; F464-F492 HydrophobicContact CZ-CG 4.12Å; F464-F492 AromaticContact CZ-CZ 3.72Å; F464-F492 HydrophobicContact CZ-CZ 3.72Å |
| 465 | I | 85.9 | Confident | 83.3 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 173.2 | -63.6 | 170.1 | 0 | 0 | 0 | 110.2 | T460 S461 P462 F467 V468 C469 L499 | T460-I465 HydrophobicContact CG2-CD1 4.11Å; T460-I465 HydrophobicContact CG2-CG1 3.76Å; S461-I465 PolarHBondContact O-N 3.21Å; P462-I465 PolarHBondContact O-N 2.69Å; I465-F467 VanDerWaalsContact C-N 3.31Å; I465-F467 PolarHBondContact O-N 2.73Å; I465-V468 PolarHBondContact O-N 2.94Å; I465-C469 WeakPolarHBondContact O-CB 3.2Å; I465-C469 PolarHBondContact O-N 2.8Å; I465-C469 PolarHBondContact O-SG 3.36Å; I465-L499 HydrophobicContact CG2-CD2 4.44Å |
| 466 | E | 87.9 | Confident | 83.6 | Confident | 144 Ų | 144 | 55 Ų | 55 | 67% | 0.673 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58.4 | -42.7 | 175.7 | -173.1 | -179.7 | -177.3 | 0 | 0 | 111.7 | P462 C469 K470 | P462-E466 PolarHBondContact O-N 3.15Å; E466-C469 PolarHBondContact O-N 3.06Å; E466-K470 WeakPolarHBondContact O-CB 3.43Å; E466-K470 PolarHBondContact O-N 3.43Å |
| 467 | F | 91.1 | Very high | 84.1 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61 | -47 | 174.9 | 172.1 | -93.3 | 0 | 0 | 0 | 112.7 | L372 L376 I444 F447 R463 F464 I465 C469 K470 H471 | L372-F467 HydrophobicContact CD2-CE2 4.32Å; L372-F467 HydrophobicContact CD2-CZ 3.74Å; L372-F467 HydrophobicContact CG-CZ 4.15Å; L376-F467 HydrophobicContact CD1-CE1 4.23Å; L376-F467 HydrophobicContact CD1-CE2 3.96Å; L376-F467 HydrophobicContact CD1-CZ 3.38Å; I444-F467 HydrophobicContact CG1-CE1 4.3Å; I444-F467 HydrophobicContact CG1-CZ 4.35Å; I444-F467 HydrophobicContact CG2-CE1 4.26Å; F447-F467 AromaticContact CD1-CD1 3.99Å; F447-F467 HydrophobicContact CD1-CD1 3.99Å; F447-F467 HydrophobicContact CD1-CD2 4.45Å; F447-F467 HydrophobicContact CD1-CE1 4.1Å; F447-F467 HydrophobicContact CD1-CG 4.17Å; F447-F467 HydrophobicContact CD1-CZ 4.36Å; F447-F467 HydrophobicContact CE1-CB 3.89Å; F447-F467 AromaticContact CE1-CD1 3.88Å; F447-F467 HydrophobicContact CE1-CD1 3.88Å; F447-F467 AromaticContact CE1-CD2 3.92Å; F447-F467 HydrophobicContact CE1-CD2 3.92Å; F447-F467 HydrophobicContact CE1-CE1 4.38Å; F447-F467 HydrophobicContact CE1-CE2 4.4Å; F447-F467 AromaticContact CE1-CG 3.62Å; F447-F467 HydrophobicContact CE1-CG 3.62Å; R463-F467 PolarHBondContact O-N 3.28Å; R463-F467 VanDerWaalsContact O-N 3.13Å; F464-F467 HydrophobicContact CD2-CD1 4.43Å; F464-F467 HydrophobicContact CE2-CD1 4.21Å; F464-F467 WeakPolarHBondContact O-CB 3.44Å; F464-F467 PolarHBondContact O-N 3.37Å; I465-F467 VanDerWaalsContact C-N 3.31Å; I465-F467 PolarHBondContact O-N 2.73Å; F467-C469 VanDerWaalsContact C-N 3.32Å; F467-C469 PolarHBondContact O-N 3.45Å; F467-K470 PolarHBondContact O-N 2.8Å; F467-H471 AromaticContact CD2-CD2 3.73Å; F467-H471 AromaticContact CE2-CD2 3.58Å; F467-H471 AromaticContact CE2-NE2 3.88Å; F467-H471 PolarHBondContact O-CD2 3.17Å; F467-H471 PolarHBondContact O-N 2.98Å |
| 468 | V | 89.8 | Confident | 85 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -38.6 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 111 | F464 I465 H471 D472 L475 F492 L493 L499 F503 | F464-V468 HydrophobicContact CD1-CG2 4Å; F464-V468 HydrophobicContact CE1-CG2 3.53Å; F464-V468 HydrophobicContact CZ-CG2 3.81Å; F464-V468 WeakPolarHBondContact O-CG2 3.47Å; F464-V468 PolarHBondContact O-N 3.2Å; I465-V468 PolarHBondContact O-N 2.94Å; V468-H471 PolarHBondContact O-N 3.34Å; V468-D472 WeakPolarHBondContact O-CA 2.97Å; V468-D472 PolarHBondContact O-N 3Å; V468-D472 VanDerWaalsContact O-N 3.11Å; V468-L475 HydrophobicContact CB-CD1 4.25Å; V468-L475 HydrophobicContact CG1-CD1 3.79Å; V468-L475 HydrophobicContact CG2-CD1 4.26Å; V468-F492 HydrophobicContact CG2-CE2 4.07Å; V468-L493 HydrophobicContact CG1-CD2 4.25Å; V468-L499 HydrophobicContact CB-CD1 4.43Å; V468-L499 HydrophobicContact CB-CD2 4.13Å; V468-L499 HydrophobicContact CG1-CD1 4.22Å; V468-L499 HydrophobicContact CG1-CD2 3.66Å; V468-L499 HydrophobicContact CG2-CD1 4.29Å; V468-F503 HydrophobicContact CG1-CE2 4.09Å; V468-F503 HydrophobicContact CG1-CZ 4.45Å |
| 469 | C | 87.4 | Confident | 85.8 | Confident | 53 Ų | 53 | 40.5 Ų | 40.5 | 36% | 0.358 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 176.2 | -73.3 | 0 | 0 | 0 | 0 | 112.8 | I465 E466 F467 R502 | I465-C469 WeakPolarHBondContact O-CB 3.2Å; I465-C469 PolarHBondContact O-N 2.8Å; I465-C469 PolarHBondContact O-SG 3.36Å; E466-C469 PolarHBondContact O-N 3.06Å; F467-C469 VanDerWaalsContact C-N 3.32Å; F467-C469 PolarHBondContact O-N 3.45Å; C469-R502 PolarHBondContact SG-NH1 3.03Å |
| 470 | K | 90.4 | Very high | 86.1 | Confident | 106 Ų | 106 | 39.4 Ų | 39.4 | 46% | 0.461 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.4 | -35.5 | 176.9 | -178.9 | -176.9 | 172.7 | -167.7 | 0 | 112.8 | D373 E466 F467 | D373-K470 IonicContact OD1-NZ 2.77Å; D373-K470 PolarHBondContact OD1-NZ 3.16Å; D373-K470 IonicContact OD2-NZ 2.73Å; D373-K470 PolarHBondContact OD2-NZ 2.89Å; E466-K470 WeakPolarHBondContact O-CB 3.43Å; E466-K470 PolarHBondContact O-N 3.43Å; F467-K470 PolarHBondContact O-N 2.8Å |
| 471 | H | 90.4 | Very high | 86 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 24.2 | -174.2 | -63.8 | -67.8 | 0 | 0 | 0 | 113.4 | D373 L376 F467 V468 E473 V474 L475 | D373-H471 IonicContact OD1-CD2 3.43Å; D373-H471 IonicContact OD1-CE1 2.82Å; D373-H471 PolarHBondContact OD1-CE1 3.46Å; D373-H471 IonicContact OD1-NE2 3.96Å; D373-H471 PolarHBondContact OD1-NE2 3.23Å; L376-H471 WeakPolarHBondContact CB-ND1 3.49Å; L376-H471 HydrophobicContact CD1-CB 4.2Å; F467-H471 AromaticContact CD2-CD2 3.73Å; F467-H471 AromaticContact CE2-CD2 3.58Å; F467-H471 AromaticContact CE2-NE2 3.88Å; F467-H471 PolarHBondContact O-CD2 3.17Å; F467-H471 PolarHBondContact O-N 2.98Å; V468-H471 PolarHBondContact O-N 3.34Å; H471-E473 PolarHBondContact O-N 3.4Å; H471-V474 PolarHBondContact O-N 3.22Å; H471-L475 WeakPolarHBondContact O-CG 3.37Å; H471-L475 PolarHBondContact O-N 2.88Å; H471-L475 VanDerWaalsContact O-N 3.09Å |
| 472 | D | 87.8 | Confident | 85.8 | Confident | 29 Ų | 29 | 44.8 Ų | 44.8 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | -169.5 | 62.6 | -9.2 | 0 | 0 | 0 | 113.4 | V468 V474 L475 K476 R502 | V468-D472 WeakPolarHBondContact O-CA 2.97Å; V468-D472 PolarHBondContact O-N 3Å; V468-D472 VanDerWaalsContact O-N 3.11Å; D472-V474 PolarHBondContact O-N 3.39Å; D472-L475 PolarHBondContact O-N 2.79Å; D472-K476 VanDerWaalsContact O-CG 3.28Å; D472-K476 WeakPolarHBondContact O-CG 3.47Å; D472-K476 PolarHBondContact O-N 3.18Å; D472-R502 IonicContact OD2-CZ 2.73Å; D472-R502 IonicContact OD2-NH1 3.86Å; D472-R502 PolarHBondContact OD2-NH1 2.94Å; D472-R502 IonicContact OD2-NH2 3.5Å; D472-R502 PolarHBondContact OD2-NH2 3.37Å |
| 473 | E | 85.1 | Confident | 85.3 | Confident | 105 Ų | 105 | 44 Ų | 44 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63 | -38.5 | 178.4 | -66.3 | -52.3 | 124.1 | 0 | 0 | 113 | H471 K476 C477 | H471-E473 PolarHBondContact O-N 3.4Å; E473-K476 PolarHBondContact O-N 2.85Å; E473-K476 IonicContact OE1-NZ 2.72Å; E473-K476 PolarHBondContact OE1-NZ 3.03Å; E473-C477 WeakPolarHBondContact O-CB 3.05Å; E473-C477 PolarHBondContact O-N 3.05Å |
| 474 | V | 86.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.5 | -42.9 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | L376 I379 L383 H471 D472 C477 F478 | L376-V474 HydrophobicContact CD2-CG1 3.83Å; I379-V474 HydrophobicContact CB-CG1 4.24Å; I379-V474 HydrophobicContact CG2-CG1 3.78Å; I379-V474 HydrophobicContact CG2-CG2 4.32Å; L383-V474 HydrophobicContact CD1-CG2 4.23Å; H471-V474 PolarHBondContact O-N 3.22Å; D472-V474 PolarHBondContact O-N 3.39Å; V474-C477 WeakPolarHBondContact O-CB 3.17Å; V474-C477 PolarHBondContact O-N 2.85Å; V474-F478 HydrophobicContact CG1-CD1 4.3Å; V474-F478 HydrophobicContact CG1-CE1 3.74Å; V474-F478 HydrophobicContact CG1-CE2 4.28Å; V474-F478 HydrophobicContact CG1-CZ 3.73Å; V474-F478 WeakPolarHBondContact O-CD1 3.47Å; V474-F478 PolarHBondContact O-N 3.23Å |
| 475 | L | 87.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.7 | -63.7 | 174.5 | 0 | 0 | 0 | 111.5 | I444 V468 H471 D472 C477 F478 V479 F490 F503 | I444-L475 HydrophobicContact CD1-CD2 3.73Å; V468-L475 HydrophobicContact CB-CD1 4.25Å; V468-L475 HydrophobicContact CG1-CD1 3.79Å; V468-L475 HydrophobicContact CG2-CD1 4.26Å; H471-L475 WeakPolarHBondContact O-CG 3.37Å; H471-L475 PolarHBondContact O-N 2.88Å; H471-L475 VanDerWaalsContact O-N 3.09Å; D472-L475 PolarHBondContact O-N 2.79Å; L475-C477 VanDerWaalsContact C-N 3.29Å; L475-C477 PolarHBondContact O-N 3.33Å; L475-F478 PolarHBondContact O-N 3.34Å; L475-V479 WeakPolarHBondContact O-CG2 3.42Å; L475-V479 PolarHBondContact O-N 2.7Å; L475-V479 VanDerWaalsContact O-N 3.08Å; L475-F490 HydrophobicContact CB-CE2 4.44Å; L475-F490 HydrophobicContact CD2-CE1 4.4Å; L475-F490 HydrophobicContact CD2-CE2 3.71Å; L475-F490 HydrophobicContact CD2-CZ 3.51Å; L475-F503 HydrophobicContact CB-CE1 3.94Å; L475-F503 HydrophobicContact CB-CZ 3.89Å; L475-F503 HydrophobicContact CD1-CZ 4.39Å |
| 476 | K | 86 | Confident | 84.4 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 173.4 | -71.6 | 176.5 | -167.1 | 162.9 | 0 | 111 | D472 E473 V479 T480 F503 I506 | D472-K476 VanDerWaalsContact O-CG 3.28Å; D472-K476 WeakPolarHBondContact O-CG 3.47Å; D472-K476 PolarHBondContact O-N 3.18Å; E473-K476 PolarHBondContact O-N 2.85Å; E473-K476 IonicContact OE1-NZ 2.72Å; E473-K476 PolarHBondContact OE1-NZ 3.03Å; K476-V479 PolarHBondContact O-N 3.33Å; K476-T480 VanDerWaalsContact O-CB 3.32Å; K476-T480 WeakPolarHBondContact O-CB 3.35Å; K476-T480 PolarHBondContact O-N 3.03Å; K476-T480 PolarHBondContact O-OG1 2.9Å; K476-F503 HydrophobicContact CB-CE1 4.35Å; K476-F503 HydrophobicContact CG-CD1 3.95Å; K476-F503 HydrophobicContact CG-CE1 3.52Å; K476-F503 HydrophobicContact CG-CZ 4.22Å; K476-I506 HydrophobicContact CB-CD1 3.51Å; K476-I506 HydrophobicContact CD-CD1 4.29Å; K476-I506 HydrophobicContact CG-CD1 3.55Å |
| 477 | C | 83.3 | Confident | 83.9 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 14% | 0.135 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 176.5 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | L383 E473 V474 L475 V479 T480 R481 | L383-C477 HydrophobicContact CD1-CB 4.08Å; E473-C477 WeakPolarHBondContact O-CB 3.05Å; E473-C477 PolarHBondContact O-N 3.05Å; V474-C477 WeakPolarHBondContact O-CB 3.17Å; V474-C477 PolarHBondContact O-N 2.85Å; L475-C477 VanDerWaalsContact C-N 3.29Å; L475-C477 PolarHBondContact O-N 3.33Å; C477-V479 PolarHBondContact O-N 2.63Å; C477-T480 PolarHBondContact O-N 3.42Å; C477-R481 WeakPolarHBondContact O-CB 3.46Å; C477-R481 VanDerWaalsContact O-CG 3.31Å; C477-R481 WeakPolarHBondContact O-CG 3.42Å; C477-R481 PolarHBondContact O-N 2.88Å; C477-R481 PolarHBondContact SG-NE 3.36Å; C477-R481 VanDerWaalsContact SG-NE 3.41Å |
| 478 | F | 85.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 177.7 | -73.8 | 2.2 | 0 | 0 | 0 | 111.9 | L376 I379 I433 A437 L440 V474 L475 R481 N482 I485 F490 | L376-F478 HydrophobicContact CD2-CE2 4.07Å; L376-F478 HydrophobicContact CD2-CZ 4.11Å; I379-F478 HydrophobicContact CD1-CE1 4.24Å; I379-F478 HydrophobicContact CD1-CZ 3.91Å; I379-F478 HydrophobicContact CG2-CE1 4.47Å; I433-F478 HydrophobicContact CG2-CD1 4.11Å; I433-F478 HydrophobicContact CG2-CE1 3.9Å; A437-F478 HydrophobicContact CB-CB 4.27Å; A437-F478 HydrophobicContact CB-CD1 3.8Å; A437-F478 HydrophobicContact CB-CD2 4.15Å; A437-F478 HydrophobicContact CB-CE1 4.14Å; A437-F478 HydrophobicContact CB-CE2 4.47Å; A437-F478 HydrophobicContact CB-CG 3.81Å; A437-F478 HydrophobicContact CB-CZ 4.47Å; L440-F478 HydrophobicContact CB-CE2 3.88Å; L440-F478 HydrophobicContact CB-CZ 4.29Å; L440-F478 HydrophobicContact CD1-CE2 4.14Å; L440-F478 HydrophobicContact CD1-CZ 3.67Å; V474-F478 HydrophobicContact CG1-CD1 4.3Å; V474-F478 HydrophobicContact CG1-CE1 3.74Å; V474-F478 HydrophobicContact CG1-CE2 4.28Å; V474-F478 HydrophobicContact CG1-CZ 3.73Å; V474-F478 WeakPolarHBondContact O-CD1 3.47Å; V474-F478 PolarHBondContact O-N 3.23Å; L475-F478 PolarHBondContact O-N 3.34Å; F478-R481 PolarHBondContact O-N 3.45Å; F478-N482 PolarHBondContact O-N 2.99Å; F478-I485 HydrophobicContact CB-CD1 4.24Å; F478-F490 HydrophobicContact CD2-CZ 4.37Å |
| 479 | V | 82.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.5 | -41.7 | -179.1 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | L475 K476 C477 R481 N482 P483 I486 F490 I506 | L475-V479 WeakPolarHBondContact O-CG2 3.42Å; L475-V479 PolarHBondContact O-N 2.7Å; L475-V479 VanDerWaalsContact O-N 3.08Å; K476-V479 PolarHBondContact O-N 3.33Å; C477-V479 PolarHBondContact O-N 2.63Å; V479-R481 VanDerWaalsContact C-N 3.26Å; V479-R481 PolarHBondContact O-N 2.89Å; V479-N482 CarbonylContact O-C 3.06Å; V479-N482 PolarHBondContact O-N 2.91Å; V479-P483 VanDerWaalsContact O-N 3.13Å; V479-I486 HydrophobicContact CB-CD1 4.42Å; V479-I486 HydrophobicContact CB-CG1 4.32Å; V479-I486 HydrophobicContact CG1-CD1 3.16Å; V479-I486 HydrophobicContact CG1-CG1 3.43Å; V479-I486 VanDerWaalsContact CG1-CG1 3.43Å; V479-I486 HydrophobicContact CG2-CD1 4.43Å; V479-I486 HydrophobicContact CG2-CG1 3.84Å; V479-F490 HydrophobicContact CG2-CD2 3.75Å; V479-F490 HydrophobicContact CG2-CE2 4.05Å; V479-I506 HydrophobicContact CB-CG2 4.09Å; V479-I506 HydrophobicContact CG1-CB 4.41Å; V479-I506 HydrophobicContact CG1-CG2 3.34Å |
| 480 | T | 79.3 | Confident | 82.8 | Confident | 92 Ų | 92 | 40.5 Ų | 40.5 | 56% | 0.564 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -63.3 | -36.8 | -179.8 | -57 | 0 | 0 | 0 | 0 | 111.3 | K476 C477 | K476-T480 VanDerWaalsContact O-CB 3.32Å; K476-T480 WeakPolarHBondContact O-CB 3.35Å; K476-T480 PolarHBondContact O-N 3.03Å; K476-T480 PolarHBondContact O-OG1 2.9Å; C477-T480 PolarHBondContact O-N 3.42Å |
| 481 | R | 77.3 | Confident | 82.2 | Confident | 102 Ų | 102 | 37.1 Ų | 37.1 | 39% | 0.385 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -81.4 | -33.5 | -180 | -70 | 173.7 | 170.2 | -146.8 | -4.5 | 113.3 | D431 C477 F478 V479 | D431-R481 IonicContact OD1-NH1 3.4Å; D431-R481 PolarHBondContact OD1-NH1 3.48Å; D431-R481 IonicContact OD2-CZ 3.43Å; D431-R481 IonicContact OD2-NH1 2.77Å; D431-R481 PolarHBondContact OD2-NH1 3.39Å; D431-R481 IonicContact OD2-NH2 3.46Å; D431-R481 PolarHBondContact OD2-NH2 2.97Å; C477-R481 WeakPolarHBondContact O-CB 3.46Å; C477-R481 VanDerWaalsContact O-CG 3.31Å; C477-R481 WeakPolarHBondContact O-CG 3.42Å; C477-R481 PolarHBondContact O-N 2.88Å; C477-R481 PolarHBondContact SG-NE 3.36Å; C477-R481 VanDerWaalsContact SG-NE 3.41Å; F478-R481 PolarHBondContact O-N 3.45Å; V479-R481 VanDerWaalsContact C-N 3.26Å; V479-R481 PolarHBondContact O-N 2.89Å |
| 482 | N | 78.5 | Confident | 81.7 | Confident | 46 Ų | 46 | 37.1 Ų | 37.1 | 25% | 0.246 | 18% | 0.184 | C | C | . | . | trans | -132.2 | 89.8 | 173.7 | -174.9 | 3.3 | 0 | 0 | 0 | 110.8 | N438 F478 V479 K484 I485 | N438-N482 PolarHBondContact OD1-ND2 3.47Å; F478-N482 PolarHBondContact O-N 2.99Å; V479-N482 CarbonylContact O-C 3.06Å; V479-N482 PolarHBondContact O-N 2.91Å; N482-K484 PolarHBondContact O-N 3.47Å; N482-K484 PolarHBondContact OD1-N 2.95Å; N482-I485 HydrophobicContact CB-CD1 3.73Å; N482-I485 HydrophobicContact CB-CG1 3.92Å; N482-I485 WeakPolarHBondContact O-CB 3.34Å; N482-I485 WeakPolarHBondContact O-CG1 3.42Å; N482-I485 PolarHBondContact O-N 3.49Å | ||
| 483 | P | 74.3 | Confident | 81.4 | Confident | 47 Ų | 47 | 35.8 Ų | 35.8 | 31% | 0.305 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -37.9 | -43.2 | 172.5 | -44.3 | 45.2 | 0 | 0 | 0 | 116.3 | V479 I485 I486 Q510 | V479-P483 VanDerWaalsContact O-N 3.13Å; P483-I485 PolarHBondContact O-N 3.35Å; P483-I485 VanDerWaalsContact O-N 3.13Å; P483-I486 PolarHBondContact O-N 3.23Å; P483-Q510 VanDerWaalsContact C-OE1 3.28Å; P483-Q510 PolarHBondContact O-OE1 3.12Å; P483-Q510 VanDerWaalsContact O-OE1 3.09Å |
| 484 | K | 76.6 | Confident | 80.9 | Confident | 124 Ų | 124 | 31 Ų | 31 | 54% | 0.539 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -15.5 | -173.3 | -61.9 | -174 | 176.4 | -174.9 | 0 | 113.9 | N482 I486 F487 N488 | N482-K484 PolarHBondContact O-N 3.47Å; N482-K484 PolarHBondContact OD1-N 2.95Å; K484-I486 VanDerWaalsContact C-N 3.28Å; K484-I486 PolarHBondContact O-N 2.81Å; K484-F487 PolarHBondContact O-N 3.06Å; K484-N488 WeakPolarHBondContact O-CB 3.21Å; K484-N488 VanDerWaalsContact O-CG 3.27Å; K484-N488 PolarHBondContact O-N 2.6Å; K484-N488 PolarHBondContact O-ND2 3.13Å |
| 485 | I | 82.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -34.9 | 179.8 | -69.3 | 179.2 | 0 | 0 | 0 | 111.7 | A437 N438 S441 F478 N482 P483 F487 H489 F490 | A437-I485 HydrophobicContact CB-CD1 3.89Å; N438-I485 WeakPolarHBondContact OD1-CG1 3.27Å; S441-I485 WeakPolarHBondContact OG-CG2 3.4Å; F478-I485 HydrophobicContact CB-CD1 4.24Å; N482-I485 HydrophobicContact CB-CD1 3.73Å; N482-I485 HydrophobicContact CB-CG1 3.92Å; N482-I485 WeakPolarHBondContact O-CB 3.34Å; N482-I485 WeakPolarHBondContact O-CG1 3.42Å; N482-I485 PolarHBondContact O-N 3.49Å; P483-I485 PolarHBondContact O-N 3.35Å; P483-I485 VanDerWaalsContact O-N 3.13Å; I485-F487 VanDerWaalsContact C-N 3.31Å; I485-F487 PolarHBondContact O-N 3.34Å; I485-H489 HydrophobicContact CG2-CB 4.36Å; I485-H489 PolarHBondContact O-N 3.45Å; I485-F490 HydrophobicContact CG2-CD1 4.29Å; I485-F490 HydrophobicContact CG2-CD2 3.69Å; I485-F490 HydrophobicContact CG2-CE1 4.29Å; I485-F490 HydrophobicContact CG2-CE2 3.67Å; I485-F490 HydrophobicContact CG2-CG 4Å; I485-F490 HydrophobicContact CG2-CZ 3.98Å; I485-F490 PolarHBondContact O-N 3.23Å |
| 486 | I | 81.8 | Confident | 79.7 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54 | -51.8 | 176.4 | -81.1 | 166.6 | 0 | 0 | 0 | 110.2 | V479 P483 K484 F490 H491 L494 I507 Q510 | V479-I486 HydrophobicContact CB-CD1 4.42Å; V479-I486 HydrophobicContact CB-CG1 4.32Å; V479-I486 HydrophobicContact CG1-CD1 3.16Å; V479-I486 HydrophobicContact CG1-CG1 3.43Å; V479-I486 VanDerWaalsContact CG1-CG1 3.43Å; V479-I486 HydrophobicContact CG2-CD1 4.43Å; V479-I486 HydrophobicContact CG2-CG1 3.84Å; P483-I486 PolarHBondContact O-N 3.23Å; K484-I486 VanDerWaalsContact C-N 3.28Å; K484-I486 PolarHBondContact O-N 2.81Å; I486-F490 CarbonylContact O-C 3.12Å; I486-F490 WeakPolarHBondContact O-CA 3.1Å; I486-F490 PolarHBondContact O-N 2.88Å; I486-H491 PolarHBondContact O-N 3.45Å; I486-L494 HydrophobicContact CG2-CD1 3.6Å; I486-L494 HydrophobicContact CG2-CD2 4.15Å; I486-L494 HydrophobicContact CG2-CG 4.04Å; I486-I507 HydrophobicContact CD1-CG1 3.81Å; I486-Q510 HydrophobicContact CD1-CG 3.87Å |
| 487 | F | 78.4 | Confident | 79.1 | Confident | 34 Ų | 34 | 37.9 Ų | 37.9 | 15% | 0.149 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -78.2 | -37.2 | -173 | -53 | -61.9 | 0 | 0 | 0 | 112 | K484 I485 L494 Q510 D514 R515 W518 | K484-F487 PolarHBondContact O-N 3.06Å; I485-F487 VanDerWaalsContact C-N 3.31Å; I485-F487 PolarHBondContact O-N 3.34Å; F487-L494 HydrophobicContact CD1-CD1 4.26Å; F487-L494 HydrophobicContact CE1-CD1 4.25Å; F487-Q510 HydrophobicContact CE2-CB 4.22Å; F487-Q510 HydrophobicContact CE2-CG 4.43Å; F487-Q510 HydrophobicContact CZ-CB 4.17Å; F487-Q510 HydrophobicContact CZ-CG 4.39Å; F487-D514 HydrophobicContact CD2-CB 4.14Å; F487-D514 HydrophobicContact CE2-CB 3.7Å; F487-D514 HydrophobicContact CZ-CB 4.29Å; F487-R515 HydrophobicContact CE1-CG 4.15Å; F487-R515 HydrophobicContact CZ-CB 4.45Å; F487-R515 HydrophobicContact CZ-CG 3.6Å; F487-W518 HydrophobicContact CD1-CB 3.53Å; F487-W518 AromaticContact CD1-CD1 3.43Å; F487-W518 VanDerWaalsContact CD1-CD1 3.43Å; F487-W518 HydrophobicContact CD1-CD2 4.29Å; F487-W518 AromaticContact CD1-CG 3.44Å; F487-W518 HydrophobicContact CD1-CG 3.44Å; F487-W518 VanDerWaalsContact CD1-CG 3.44Å; F487-W518 HydrophobicContact CE1-CB 3.75Å; F487-W518 AromaticContact CE1-CG 3.89Å; F487-W518 HydrophobicContact CE1-CG 3.89Å; F487-W518 HydrophobicContact CG-CB 4.45Å |
| 488 | N | 78.8 | Confident | 78.8 | Confident | 97 Ų | 97 | 43 Ų | 43 | 52% | 0.519 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -77.5 | -39.9 | -176.5 | -67.7 | -12.8 | 0 | 0 | 0 | 113.7 | K484 | K484-N488 WeakPolarHBondContact O-CB 3.21Å; K484-N488 VanDerWaalsContact O-CG 3.27Å; K484-N488 PolarHBondContact O-N 2.6Å; K484-N488 PolarHBondContact O-ND2 3.13Å |
| 489 | H | 81.4 | Confident | 78.6 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -40.7 | -169.4 | -63.5 | -54.3 | 0 | 0 | 0 | 113 | Y318 M322 Q445 I485 H491 | Y318-H489 PolarHBondContact OH-NE2 3.35Å; M322-H489 VanDerWaalsContact SD-CE1 3.59Å; Q445-H489 PolarHBondContact OE1-ND1 2.99Å; I485-H489 HydrophobicContact CG2-CB 4.36Å; I485-H489 PolarHBondContact O-N 3.45Å; H489-H491 PolarHBondContact O-ND1 3.41Å |
| 490 | F | 84.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -99.9 | 32.1 | -172.4 | -59.6 | -13.5 | 0 | 0 | 0 | 114.5 | S441 I444 L475 F478 V479 I485 I486 F492 L493 | S441-F490 WeakPolarHBondContact OG-CZ 3.36Å; I444-F490 HydrophobicContact CB-CE1 3.98Å; I444-F490 HydrophobicContact CD1-CE1 3.99Å; I444-F490 HydrophobicContact CD1-CZ 3.87Å; I444-F490 HydrophobicContact CG2-CD1 4.38Å; I444-F490 HydrophobicContact CG2-CE1 3.77Å; L475-F490 HydrophobicContact CB-CE2 4.44Å; L475-F490 HydrophobicContact CD2-CE1 4.4Å; L475-F490 HydrophobicContact CD2-CE2 3.71Å; L475-F490 HydrophobicContact CD2-CZ 3.51Å; F478-F490 HydrophobicContact CD2-CZ 4.37Å; V479-F490 HydrophobicContact CG2-CD2 3.75Å; V479-F490 HydrophobicContact CG2-CE2 4.05Å; I485-F490 HydrophobicContact CG2-CD1 4.29Å; I485-F490 HydrophobicContact CG2-CD2 3.69Å; I485-F490 HydrophobicContact CG2-CE1 4.29Å; I485-F490 HydrophobicContact CG2-CE2 3.67Å; I485-F490 HydrophobicContact CG2-CG 4Å; I485-F490 HydrophobicContact CG2-CZ 3.98Å; I485-F490 PolarHBondContact O-N 3.23Å; I486-F490 CarbonylContact O-C 3.12Å; I486-F490 WeakPolarHBondContact O-CA 3.1Å; I486-F490 PolarHBondContact O-N 2.88Å; F490-F492 HydrophobicContact CB-CE1 3.97Å; F490-F492 HydrophobicContact CB-CE2 4.46Å; F490-F492 HydrophobicContact CB-CZ 3.92Å; F490-F492 AromaticContact CD1-CE1 3.38Å; F490-F492 HydrophobicContact CD1-CE1 3.38Å; F490-F492 AromaticContact CD1-CZ 3.42Å; F490-F492 HydrophobicContact CD1-CZ 3.42Å; F490-F492 VanDerWaalsContact CD1-CZ 3.42Å; F490-F492 HydrophobicContact CE1-CE1 4.16Å; F490-F492 HydrophobicContact CE1-CZ 4.02Å; F490-F492 AromaticContact CG-CE1 3.95Å; F490-F492 HydrophobicContact CG-CE1 3.95Å; F490-F492 AromaticContact CG-CZ 3.73Å; F490-F492 HydrophobicContact CG-CZ 3.73Å; F490-F492 PolarHBondContact O-N 3.07Å; F490-L493 HydrophobicContact CB-CD1 3.72Å; F490-L493 HydrophobicContact CB-CG 3.98Å; F490-L493 HydrophobicContact CD2-CD1 3.91Å; F490-L493 HydrophobicContact CG-CD1 4.2Å; F490-L493 WeakPolarHBondContact O-CB 3.34Å; F490-L493 PolarHBondContact O-N 2.94Å | ||
| 491 | H | 77.7 | Confident | 78.4 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 16% | 0.162 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -50 | -31.2 | 171.2 | 64.4 | -71.2 | 0 | 0 | 0 | 112.6 | Y448 I486 H489 L493 L494 E495 | Y448-H491 AromaticContact CD1-NE2 3.99Å; Y448-H491 AromaticContact CE1-NE2 3.63Å; I486-H491 PolarHBondContact O-N 3.45Å; H489-H491 PolarHBondContact O-ND1 3.41Å; H491-L493 PolarHBondContact O-N 3.33Å; H491-L493 VanDerWaalsContact O-N 3.17Å; H491-L494 WeakPolarHBondContact O-CA 3.43Å; H491-L494 WeakPolarHBondContact O-CB 3.45Å; H491-L494 PolarHBondContact O-N 3.11Å; H491-E495 IonicContact CD2-OE1 3.36Å; H491-E495 PolarHBondContact CD2-OE1 3.43Å; H491-E495 IonicContact CD2-OE2 3.49Å; H491-E495 PolarHBondContact O-N 3.44Å; H491-E495 VanDerWaalsContact O-N 3.09Å |
| 492 | F | 80.3 | Confident | 78.6 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.6 | -27.2 | 174.6 | 63.5 | -104.8 | 0 | 0 | 0 | 114.7 | I444 Y448 F464 V468 F490 L494 C496 L499 | I444-F492 HydrophobicContact CG2-CE1 3.91Å; I444-F492 HydrophobicContact CG2-CZ 3.79Å; Y448-F492 HydrophobicContact CD1-CB 3.72Å; Y448-F492 HydrophobicContact CD1-CD1 4.1Å; Y448-F492 HydrophobicContact CD1-CG 4.31Å; Y448-F492 HydrophobicContact CD2-CB 3.64Å; Y448-F492 HydrophobicContact CD2-CD1 4.41Å; Y448-F492 HydrophobicContact CD2-CG 4.09Å; Y448-F492 HydrophobicContact CE1-CB 3.54Å; Y448-F492 HydrophobicContact CE2-CB 3.47Å; Y448-F492 VanDerWaalsContact CE2-CB 3.47Å; Y448-F492 HydrophobicContact CE2-CG 4.39Å; Y448-F492 HydrophobicContact CG-CB 3.75Å; Y448-F492 AromaticContact CG-CD1 3.92Å; Y448-F492 HydrophobicContact CG-CD1 3.92Å; Y448-F492 HydrophobicContact CG-CG 4.04Å; Y448-F492 VanDerWaalsContact CZ-CB 3.41Å; F464-F492 HydrophobicContact CE1-CD1 4.35Å; F464-F492 AromaticContact CE1-CD2 3.48Å; F464-F492 HydrophobicContact CE1-CD2 3.48Å; F464-F492 VanDerWaalsContact CE1-CD2 3.48Å; F464-F492 HydrophobicContact CE1-CE1 4.47Å; F464-F492 AromaticContact CE1-CE2 3.64Å; F464-F492 HydrophobicContact CE1-CE2 3.64Å; F464-F492 AromaticContact CE1-CG 3.89Å; F464-F492 HydrophobicContact CE1-CG 3.89Å; F464-F492 HydrophobicContact CE1-CZ 4.16Å; F464-F492 HydrophobicContact CZ-CD1 4.13Å; F464-F492 AromaticContact CZ-CD2 3.9Å; F464-F492 HydrophobicContact CZ-CD2 3.9Å; F464-F492 AromaticContact CZ-CE1 3.92Å; F464-F492 HydrophobicContact CZ-CE1 3.92Å; F464-F492 AromaticContact CZ-CE2 3.69Å; F464-F492 HydrophobicContact CZ-CE2 3.69Å; F464-F492 HydrophobicContact CZ-CG 4.12Å; F464-F492 AromaticContact CZ-CZ 3.72Å; F464-F492 HydrophobicContact CZ-CZ 3.72Å; V468-F492 HydrophobicContact CG2-CE2 4.07Å; F490-F492 HydrophobicContact CB-CE1 3.97Å; F490-F492 HydrophobicContact CB-CE2 4.46Å; F490-F492 HydrophobicContact CB-CZ 3.92Å; F490-F492 AromaticContact CD1-CE1 3.38Å; F490-F492 HydrophobicContact CD1-CE1 3.38Å; F490-F492 AromaticContact CD1-CZ 3.42Å; F490-F492 HydrophobicContact CD1-CZ 3.42Å; F490-F492 VanDerWaalsContact CD1-CZ 3.42Å; F490-F492 HydrophobicContact CE1-CE1 4.16Å; F490-F492 HydrophobicContact CE1-CZ 4.02Å; F490-F492 AromaticContact CG-CE1 3.95Å; F490-F492 HydrophobicContact CG-CE1 3.95Å; F490-F492 AromaticContact CG-CZ 3.73Å; F490-F492 HydrophobicContact CG-CZ 3.73Å; F490-F492 PolarHBondContact O-N 3.07Å; F492-L494 PolarHBondContact O-N 2.61Å; F492-C496 PolarHBondContact O-N 3.46Å; F492-L499 HydrophobicContact CD2-CD1 4.36Å |
| 493 | L | 80.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.9 | -28.6 | 175 | -67.8 | 178.3 | 0 | 0 | 0 | 111.3 | V468 F490 H491 L499 M500 F503 | V468-L493 HydrophobicContact CG1-CD2 4.25Å; F490-L493 HydrophobicContact CB-CD1 3.72Å; F490-L493 HydrophobicContact CB-CG 3.98Å; F490-L493 HydrophobicContact CD2-CD1 3.91Å; F490-L493 HydrophobicContact CG-CD1 4.2Å; F490-L493 WeakPolarHBondContact O-CB 3.34Å; F490-L493 PolarHBondContact O-N 2.94Å; H491-L493 PolarHBondContact O-N 3.33Å; H491-L493 VanDerWaalsContact O-N 3.17Å; L493-L499 HydrophobicContact CD2-CB 3.97Å; L493-L499 HydrophobicContact CD2-CD1 4.21Å; L493-M500 WeakPolarHBondContact O-CA 3.44Å; L493-M500 VanDerWaalsContact O-CB 3.24Å; L493-M500 WeakPolarHBondContact O-CB 3.45Å; L493-M500 PolarHBondContact O-N 3.4Å; L493-M500 VanDerWaalsContact O-N 3.16Å; L493-F503 HydrophobicContact CD1-CD1 4.01Å; L493-F503 HydrophobicContact CD1-CD2 4.27Å; L493-F503 HydrophobicContact CD1-CE1 4.24Å; L493-F503 HydrophobicContact CD1-CG 4.02Å; L493-F503 HydrophobicContact CD1-CZ 4.5Å; L493-F503 HydrophobicContact CD2-CD2 3.73Å; L493-F503 HydrophobicContact CD2-CE2 3.72Å; L493-F503 HydrophobicContact CD2-CG 4.32Å; L493-F503 HydrophobicContact CD2-CZ 4.29Å |
| 494 | L | 74.9 | Confident | 79 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -89.5 | -26.9 | -179.3 | -53.1 | 177.6 | 0 | 0 | 0 | 111.6 | I486 F487 H491 F492 I507 W518 L763 | I486-L494 HydrophobicContact CG2-CD1 3.6Å; I486-L494 HydrophobicContact CG2-CD2 4.15Å; I486-L494 HydrophobicContact CG2-CG 4.04Å; F487-L494 HydrophobicContact CD1-CD1 4.26Å; F487-L494 HydrophobicContact CE1-CD1 4.25Å; H491-L494 WeakPolarHBondContact O-CA 3.43Å; H491-L494 WeakPolarHBondContact O-CB 3.45Å; H491-L494 PolarHBondContact O-N 3.11Å; F492-L494 PolarHBondContact O-N 2.61Å; L494-I507 HydrophobicContact CD2-CD1 3.51Å; L494-I507 HydrophobicContact CD2-CG1 3.92Å; L494-I507 HydrophobicContact CD2-CG2 3.99Å; L494-W518 HydrophobicContact CB-CH2 3.27Å; L494-W518 HydrophobicContact CB-CZ2 3.37Å; L494-W518 HydrophobicContact CB-CZ3 4.03Å; L494-W518 HydrophobicContact CD1-CD2 3.54Å; L494-W518 HydrophobicContact CD1-CE3 3.87Å; L494-W518 HydrophobicContact CD1-CG 4.26Å; L494-W518 HydrophobicContact CD1-CH2 3.7Å; L494-W518 HydrophobicContact CD1-CZ2 3.3Å; L494-W518 HydrophobicContact CD1-CZ3 3.95Å; L494-W518 HydrophobicContact CG-CH2 4.1Å; L494-W518 HydrophobicContact CG-CZ2 3.93Å; L494-L763 HydrophobicContact CD2-CD2 3.87Å |
| 495 | E | 72.6 | Confident | 79 | Confident | 93 Ų | 93 | 39 Ų | 39 | 44% | 0.435 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -76.4 | -27.9 | 176.9 | -67.3 | 178.7 | 161.3 | 0 | 0 | 113.4 | Y448 H491 | Y448-E495 PolarHBondContact OH-OE2 3.1Å; H491-E495 IonicContact CD2-OE1 3.36Å; H491-E495 PolarHBondContact CD2-OE1 3.43Å; H491-E495 IonicContact CD2-OE2 3.49Å; H491-E495 PolarHBondContact O-N 3.44Å; H491-E495 VanDerWaalsContact O-N 3.09Å |
| 496 | C | 76.6 | Confident | 78.9 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | trans | -105.1 | 112.2 | -174.9 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | T460 F492 E498 L499 M500 | T460-C496 PolarHBondContact OG1-SG 3.34Å; F492-C496 PolarHBondContact O-N 3.46Å; C496-E498 VanDerWaalsContact C-N 3.3Å; C496-E498 PolarHBondContact O-N 3.42Å; C496-L499 HydrophobicContact CB-CB 4.19Å; C496-L499 HydrophobicContact CB-CD1 4.14Å; C496-L499 HydrophobicContact CB-CG 4.17Å; C496-L499 PolarHBondContact O-N 2.9Å; C496-L499 VanDerWaalsContact O-N 3.14Å; C496-M500 WeakPolarHBondContact O-CB 2.87Å; C496-M500 PolarHBondContact O-N 2.93Å | ||
| 497 | P | 73.9 | Confident | 78.8 | Confident | 86 Ų | 86 | 39.3 Ų | 39.3 | 56% | 0.558 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -56.8 | -38.5 | -175.7 | -27.4 | 34.9 | 0 | 0 | 0 | 114.6 | M500 S501 | P497-M500 PolarHBondContact O-N 2.87Å; P497-S501 PolarHBondContact O-N 3.46Å |
| 498 | E | 76.9 | Confident | 78.7 | Confident | 126 Ų | 126 | 39.4 Ų | 39.4 | 59% | 0.589 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -61.7 | -46.9 | 178.5 | -65.5 | 175.1 | -179.6 | 0 | 0 | 111.2 | C496 S501 | C496-E498 VanDerWaalsContact C-N 3.3Å; C496-E498 PolarHBondContact O-N 3.42Å; E498-S501 PolarHBondContact O-OG 3.15Å |
| 499 | L | 81.7 | Confident | 78.6 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.5 | -41.6 | 177.7 | -61 | -177.6 | 0 | 0 | 0 | 111.3 | I465 V468 F492 L493 C496 S501 R502 F503 | I465-L499 HydrophobicContact CG2-CD2 4.44Å; V468-L499 HydrophobicContact CB-CD1 4.43Å; V468-L499 HydrophobicContact CB-CD2 4.13Å; V468-L499 HydrophobicContact CG1-CD1 4.22Å; V468-L499 HydrophobicContact CG1-CD2 3.66Å; V468-L499 HydrophobicContact CG2-CD1 4.29Å; F492-L499 HydrophobicContact CD2-CD1 4.36Å; L493-L499 HydrophobicContact CD2-CB 3.97Å; L493-L499 HydrophobicContact CD2-CD1 4.21Å; C496-L499 HydrophobicContact CB-CB 4.19Å; C496-L499 HydrophobicContact CB-CD1 4.14Å; C496-L499 HydrophobicContact CB-CG 4.17Å; C496-L499 PolarHBondContact O-N 2.9Å; C496-L499 VanDerWaalsContact O-N 3.14Å; L499-S501 VanDerWaalsContact C-N 3.27Å; L499-S501 PolarHBondContact O-N 3.38Å; L499-R502 PolarHBondContact O-N 3.41Å; L499-F503 WeakPolarHBondContact O-CD2 3.47Å; L499-F503 PolarHBondContact O-N 3.19Å |
| 500 | M | 79.4 | Confident | 78.5 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.9 | -44.5 | 179 | -168.1 | 173 | 65.1 | 0 | 0 | 111.3 | L493 C496 P497 R502 F503 M504 I507 S759 L763 | L493-M500 WeakPolarHBondContact O-CA 3.44Å; L493-M500 VanDerWaalsContact O-CB 3.24Å; L493-M500 WeakPolarHBondContact O-CB 3.45Å; L493-M500 PolarHBondContact O-N 3.4Å; L493-M500 VanDerWaalsContact O-N 3.16Å; C496-M500 WeakPolarHBondContact O-CB 2.87Å; C496-M500 PolarHBondContact O-N 2.93Å; P497-M500 PolarHBondContact O-N 2.87Å; M500-R502 VanDerWaalsContact C-N 3.3Å; M500-R502 PolarHBondContact O-N 3.39Å; M500-F503 CarbonylContact O-C 3.51Å; M500-F503 PolarHBondContact O-N 2.97Å; M500-M504 HydrophobicContact CE-CE 4.12Å; M500-M504 HydrophobicContact CG-CE 3.81Å; M500-M504 WeakPolarHBondContact O-CA 3.45Å; M500-M504 WeakPolarHBondContact O-CB 3.33Å; M500-M504 PolarHBondContact O-N 3.48Å; M500-M504 HydrophobicContact SD-CE 4.24Å; M500-I507 HydrophobicContact CG-CD1 4.21Å; M500-S759 WeakPolarHBondContact CE-O 3.32Å; M500-L763 HydrophobicContact SD-CD2 4.22Å |
| 501 | S | 78.6 | Confident | 78.2 | Confident | 82 Ų | 82 | 43.1 Ų | 43.1 | 57% | 0.573 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -58.9 | -38.1 | 177.6 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | P497 E498 L499 | P497-S501 PolarHBondContact O-N 3.46Å; E498-S501 PolarHBondContact O-OG 3.15Å; L499-S501 VanDerWaalsContact C-N 3.27Å; L499-S501 PolarHBondContact O-N 3.38Å |
| 502 | R | 79.9 | Confident | 78.4 | Confident | 94 Ų | 94 | 42.4 Ų | 42.4 | 36% | 0.355 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -71.8 | -31.4 | -179.9 | -62.1 | -177.3 | 93.1 | -135 | -5.1 | 112.5 | C469 D472 L499 M500 | C469-R502 PolarHBondContact SG-NH1 3.03Å; D472-R502 IonicContact OD2-CZ 2.73Å; D472-R502 IonicContact OD2-NH1 3.86Å; D472-R502 PolarHBondContact OD2-NH1 2.94Å; D472-R502 IonicContact OD2-NH2 3.5Å; D472-R502 PolarHBondContact OD2-NH2 3.37Å; L499-R502 PolarHBondContact O-N 3.41Å; M500-R502 VanDerWaalsContact C-N 3.3Å; M500-R502 PolarHBondContact O-N 3.39Å |
| 503 | F | 82.6 | Confident | 78.5 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -101.2 | -0.1 | -178.4 | -71.3 | -95.7 | 0 | 0 | 0 | 113.6 | V468 L475 K476 L493 L499 M500 H505 I506 I507 | V468-F503 HydrophobicContact CG1-CE2 4.09Å; V468-F503 HydrophobicContact CG1-CZ 4.45Å; L475-F503 HydrophobicContact CB-CE1 3.94Å; L475-F503 HydrophobicContact CB-CZ 3.89Å; L475-F503 HydrophobicContact CD1-CZ 4.39Å; K476-F503 HydrophobicContact CB-CE1 4.35Å; K476-F503 HydrophobicContact CG-CD1 3.95Å; K476-F503 HydrophobicContact CG-CE1 3.52Å; K476-F503 HydrophobicContact CG-CZ 4.22Å; L493-F503 HydrophobicContact CD1-CD1 4.01Å; L493-F503 HydrophobicContact CD1-CD2 4.27Å; L493-F503 HydrophobicContact CD1-CE1 4.24Å; L493-F503 HydrophobicContact CD1-CG 4.02Å; L493-F503 HydrophobicContact CD1-CZ 4.5Å; L493-F503 HydrophobicContact CD2-CD2 3.73Å; L493-F503 HydrophobicContact CD2-CE2 3.72Å; L493-F503 HydrophobicContact CD2-CG 4.32Å; L493-F503 HydrophobicContact CD2-CZ 4.29Å; L499-F503 WeakPolarHBondContact O-CD2 3.47Å; L499-F503 PolarHBondContact O-N 3.19Å; M500-F503 CarbonylContact O-C 3.51Å; M500-F503 PolarHBondContact O-N 2.97Å; F503-H505 VanDerWaalsContact C-N 3.28Å; F503-H505 PolarHBondContact O-N 3.39Å; F503-H505 VanDerWaalsContact O-N 3.16Å; F503-I506 HydrophobicContact CD1-CD1 4.42Å; F503-I506 PolarHBondContact O-N 2.92Å; F503-I507 HydrophobicContact CB-CD1 3.87Å; F503-I507 HydrophobicContact CB-CG1 4.29Å; F503-I507 WeakPolarHBondContact O-CG1 3.18Å; F503-I507 PolarHBondContact O-N 3.14Å |
| 504 | M | 78.4 | Confident | 78.5 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 18% | 0.177 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.6 | -41.3 | -171.9 | -172.2 | 60.8 | 76.6 | 0 | 0 | 113.4 | M500 I506 I507 K508 Q762 | M500-M504 HydrophobicContact CE-CE 4.12Å; M500-M504 HydrophobicContact CG-CE 3.81Å; M500-M504 WeakPolarHBondContact O-CA 3.45Å; M500-M504 WeakPolarHBondContact O-CB 3.33Å; M500-M504 PolarHBondContact O-N 3.48Å; M500-M504 HydrophobicContact SD-CE 4.24Å; M504-I506 VanDerWaalsContact C-N 3.31Å; M504-I506 PolarHBondContact O-N 3.24Å; M504-I507 PolarHBondContact O-N 3.33Å; M504-K508 HydrophobicContact CG-CD 4.34Å; M504-K508 HydrophobicContact CG-CG 4.42Å; M504-K508 WeakPolarHBondContact O-CG 3.49Å; M504-K508 PolarHBondContact O-N 3.45Å; M504-K508 HydrophobicContact SD-CD 4.4Å; M504-K508 HydrophobicContact SD-CG 4.16Å; M504-Q762 HydrophobicContact CE-CB 4.24Å |
| 505 | H | 78.6 | Confident | 79 | Confident | 108 Ų | 108 | 50.5 Ų | 50.5 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 178 | 68.8 | -77.5 | 0 | 0 | 0 | 112.5 | F503 N509 | F503-H505 VanDerWaalsContact C-N 3.28Å; F503-H505 PolarHBondContact O-N 3.39Å; F503-H505 VanDerWaalsContact O-N 3.16Å; H505-N509 PolarHBondContact O-N 3.02Å; H505-N509 PolarHBondContact O-ND2 3Å |
| 506 | I | 79.2 | Confident | 79.6 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76 | -38.2 | 178.3 | -48.9 | -174.9 | 0 | 0 | 0 | 110.4 | K476 V479 F503 M504 N509 Q510 | K476-I506 HydrophobicContact CB-CD1 3.51Å; K476-I506 HydrophobicContact CD-CD1 4.29Å; K476-I506 HydrophobicContact CG-CD1 3.55Å; V479-I506 HydrophobicContact CB-CG2 4.09Å; V479-I506 HydrophobicContact CG1-CB 4.41Å; V479-I506 HydrophobicContact CG1-CG2 3.34Å; F503-I506 HydrophobicContact CD1-CD1 4.42Å; F503-I506 PolarHBondContact O-N 2.92Å; M504-I506 VanDerWaalsContact C-N 3.31Å; M504-I506 PolarHBondContact O-N 3.24Å; I506-N509 PolarHBondContact O-N 2.72Å; I506-Q510 WeakPolarHBondContact O-CG 3.34Å; I506-Q510 PolarHBondContact O-NE2 3.16Å |
| 507 | I | 80 | Confident | 79.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 177.7 | -66.1 | 161.4 | 0 | 0 | 0 | 110.5 | I486 L494 M500 F503 M504 N509 Q510 R515 L763 | I486-I507 HydrophobicContact CD1-CG1 3.81Å; L494-I507 HydrophobicContact CD2-CD1 3.51Å; L494-I507 HydrophobicContact CD2-CG1 3.92Å; L494-I507 HydrophobicContact CD2-CG2 3.99Å; M500-I507 HydrophobicContact CG-CD1 4.21Å; F503-I507 HydrophobicContact CB-CD1 3.87Å; F503-I507 HydrophobicContact CB-CG1 4.29Å; F503-I507 WeakPolarHBondContact O-CG1 3.18Å; F503-I507 PolarHBondContact O-N 3.14Å; M504-I507 PolarHBondContact O-N 3.33Å; I507-N509 VanDerWaalsContact C-N 3.28Å; I507-N509 PolarHBondContact O-N 3.02Å; I507-Q510 WeakPolarHBondContact O-CB 3.32Å; I507-Q510 WeakPolarHBondContact O-CG 3.22Å; I507-Q510 PolarHBondContact O-N 3.38Å; I507-Q510 VanDerWaalsContact O-N 3.11Å; I507-R515 VanDerWaalsContact O-CD 3.28Å; I507-R515 WeakPolarHBondContact O-CD 3.22Å; I507-R515 PolarHBondContact O-NE 3.14Å; I507-L763 HydrophobicContact CG2-CD2 3.64Å |
| 508 | K | 75.9 | Confident | 80.3 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.7 | -27.4 | 177.9 | -72.3 | -169.1 | 170.1 | -155.7 | 0 | 113.4 | M504 Q510 R515 Q762 F764 | M504-K508 HydrophobicContact CG-CD 4.34Å; M504-K508 HydrophobicContact CG-CG 4.42Å; M504-K508 WeakPolarHBondContact O-CG 3.49Å; M504-K508 PolarHBondContact O-N 3.45Å; M504-K508 HydrophobicContact SD-CD 4.4Å; M504-K508 HydrophobicContact SD-CG 4.16Å; K508-Q510 PolarHBondContact O-N 3.44Å; K508-R515 PolarHBondContact O-NH2 2.72Å; K508-Q762 WeakPolarHBondContact CE-O 3.32Å; K508-F764 PolarHBondContact NZ-O 3.31Å |
| 509 | N | 76.3 | Confident | 80.6 | Confident | 115 Ų | 115 | 41.3 Ų | 41.3 | 62% | 0.615 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -4.2 | 173.8 | -69.2 | -16.3 | 0 | 0 | 0 | 113.7 | H505 I506 I507 | H505-N509 PolarHBondContact O-N 3.02Å; H505-N509 PolarHBondContact O-ND2 3Å; I506-N509 PolarHBondContact O-N 2.72Å; I507-N509 VanDerWaalsContact C-N 3.28Å; I507-N509 PolarHBondContact O-N 3.02Å |
| 510 | Q | 78.8 | Confident | 80.8 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -75.1 | 150.4 | 176.1 | -55.2 | -54.4 | -57.2 | 0 | 0 | 111 | P483 I486 F487 I506 I507 K508 F512 R515 | P483-Q510 VanDerWaalsContact C-OE1 3.28Å; P483-Q510 PolarHBondContact O-OE1 3.12Å; P483-Q510 VanDerWaalsContact O-OE1 3.09Å; I486-Q510 HydrophobicContact CD1-CG 3.87Å; F487-Q510 HydrophobicContact CE2-CB 4.22Å; F487-Q510 HydrophobicContact CE2-CG 4.43Å; F487-Q510 HydrophobicContact CZ-CB 4.17Å; F487-Q510 HydrophobicContact CZ-CG 4.39Å; I506-Q510 WeakPolarHBondContact O-CG 3.34Å; I506-Q510 PolarHBondContact O-NE2 3.16Å; I507-Q510 WeakPolarHBondContact O-CB 3.32Å; I507-Q510 WeakPolarHBondContact O-CG 3.22Å; I507-Q510 PolarHBondContact O-N 3.38Å; I507-Q510 VanDerWaalsContact O-N 3.11Å; K508-Q510 PolarHBondContact O-N 3.44Å; Q510-F512 PolarHBondContact O-N 3.48Å; Q510-R515 HydrophobicContact CB-CG 4.15Å; Q510-R515 PolarHBondContact O-NE 3.16Å; Q510-R515 PolarHBondContact O-NH2 3.35Å |
| 511 | P | 80.6 | Confident | 80.8 | Confident | 57 Ų | 57 | 47.9 Ų | 47.9 | 37% | 0.37 | 24% | 0.237 | S | C | . | . | trans | -51 | 134.5 | 177.1 | -26.4 | 34.8 | 0 | 0 | 0 | 112.4 | K513 D514 R515 | P511-K513 VanDerWaalsContact C-N 3.27Å; P511-K513 PolarHBondContact O-N 3.18Å; P511-D514 HydrophobicContact CB-CB 4.45Å; P511-D514 PolarHBondContact O-N 3.35Å; P511-R515 PolarHBondContact O-N 2.93Å | ||
| 512 | F | 81.8 | Confident | 80.7 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 9% | 0.088 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.4 | -42.9 | -177.5 | 171 | -110.9 | 0 | 0 | 0 | 111.8 | Q510 D514 R515 C516 F764 E768 L771 L772 M776 | Q510-F512 PolarHBondContact O-N 3.48Å; F512-D514 PolarHBondContact O-N 2.74Å; F512-R515 PolarHBondContact O-N 2.97Å; F512-C516 WeakPolarHBondContact CE2-SG 3.27Å; F512-C516 WeakPolarHBondContact CZ-SG 3.47Å; F512-C516 PolarHBondContact O-N 3.44Å; F512-C516 PolarHBondContact O-SG 2.76Å; F512-F764 AromaticContact CD2-CD1 3.96Å; F512-F764 HydrophobicContact CD2-CD1 3.96Å; F512-F764 HydrophobicContact CD2-CE1 4.04Å; F512-F764 AromaticContact CE2-CD1 3.79Å; F512-F764 HydrophobicContact CE2-CD1 3.79Å; F512-F764 AromaticContact CE2-CE1 3.87Å; F512-F764 HydrophobicContact CE2-CE1 3.87Å; F512-E768 HydrophobicContact CD2-CB 3.77Å; F512-E768 HydrophobicContact CD2-CG 3.66Å; F512-E768 HydrophobicContact CE2-CB 3.65Å; F512-E768 HydrophobicContact CE2-CG 4.05Å; F512-E768 HydrophobicContact CG-CG 4.45Å; F512-L771 HydrophobicContact CE1-CB 4.23Å; F512-L771 HydrophobicContact CZ-CB 3.91Å; F512-L772 HydrophobicContact CZ-CB 4.46Å; F512-M776 HydrophobicContact CD1-CE 3.93Å; F512-M776 HydrophobicContact CE1-CE 4.11Å |
| 513 | K | 82.4 | Confident | 80.7 | Confident | 127 Ų | 127 | 43.1 Ų | 43.1 | 55% | 0.552 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -58.5 | -47.7 | 178.9 | -171.8 | -176.6 | 175.8 | -169.3 | 0 | 113.2 | P511 R515 C516 E517 | P511-K513 VanDerWaalsContact C-N 3.27Å; P511-K513 PolarHBondContact O-N 3.18Å; K513-R515 VanDerWaalsContact C-N 3.32Å; K513-R515 PolarHBondContact O-N 3.07Å; K513-C516 WeakPolarHBondContact O-CB 3.36Å; K513-C516 PolarHBondContact O-N 3.45Å; K513-C516 VanDerWaalsContact O-N 3.17Å; K513-E517 VanDerWaalsContact CE-OE1 3.23Å; K513-E517 WeakPolarHBondContact CE-OE1 3.41Å; K513-E517 IonicContact NZ-OE1 3.51Å; K513-E517 PolarHBondContact O-N 2.9Å |
| 514 | D | 80.4 | Confident | 80.3 | Confident | 46 Ų | 46 | 46.1 Ų | 46.1 | 25% | 0.246 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.4 | -39 | -178.1 | -64 | -15.7 | 0 | 0 | 0 | 110.6 | F487 P511 F512 E517 W518 | F487-D514 HydrophobicContact CD2-CB 4.14Å; F487-D514 HydrophobicContact CE2-CB 3.7Å; F487-D514 HydrophobicContact CZ-CB 4.29Å; P511-D514 HydrophobicContact CB-CB 4.45Å; P511-D514 PolarHBondContact O-N 3.35Å; F512-D514 PolarHBondContact O-N 2.74Å; D514-E517 PolarHBondContact O-N 2.86Å; D514-W518 PolarHBondContact O-N 3.2Å |
| 515 | R | 85.3 | Confident | 79.4 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.011 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 172.8 | -78.3 | -171.3 | -79.7 | 131.7 | 5.6 | 112.8 | F487 I507 K508 Q510 P511 F512 K513 F519 L763 F764 E768 | F487-R515 HydrophobicContact CE1-CG 4.15Å; F487-R515 HydrophobicContact CZ-CB 4.45Å; F487-R515 HydrophobicContact CZ-CG 3.6Å; I507-R515 VanDerWaalsContact O-CD 3.28Å; I507-R515 WeakPolarHBondContact O-CD 3.22Å; I507-R515 PolarHBondContact O-NE 3.14Å; K508-R515 PolarHBondContact O-NH2 2.72Å; Q510-R515 HydrophobicContact CB-CG 4.15Å; Q510-R515 PolarHBondContact O-NE 3.16Å; Q510-R515 PolarHBondContact O-NH2 3.35Å; P511-R515 PolarHBondContact O-N 2.93Å; F512-R515 PolarHBondContact O-N 2.97Å; K513-R515 VanDerWaalsContact C-N 3.32Å; K513-R515 PolarHBondContact O-N 3.07Å; R515-F519 VanDerWaalsContact O-CB 3.22Å; R515-F519 WeakPolarHBondContact O-CB 3.48Å; R515-F519 PolarHBondContact O-N 3.31Å; R515-L763 PolarHBondContact NH1-O 2.92Å; R515-F764 HydrophobicContact CB-CE1 3.88Å; R515-F764 HydrophobicContact CB-CZ 4.31Å; R515-E768 IonicContact CZ-OE1 2.81Å; R515-E768 IonicContact CZ-OE2 3.73Å; R515-E768 IonicContact NH1-OE1 2.73Å; R515-E768 IonicContact NH1-OE2 2.97Å; R515-E768 PolarHBondContact NH1-OE2 3.4Å; R515-E768 IonicContact NH2-OE1 3.33Å; R515-E768 PolarHBondContact NH2-OE1 2.85Å; R515-E768 IonicContact NH2-OE2 2.82Å; R515-E768 PolarHBondContact NH2-OE2 3.36Å |
| 516 | C | 84.4 | Confident | 78.1 | Confident | 18 Ų | 18 | 46.9 Ų | 46.9 | 12% | 0.122 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -46 | 175.6 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | F512 K513 F519 Y520 | F512-C516 WeakPolarHBondContact CE2-SG 3.27Å; F512-C516 WeakPolarHBondContact CZ-SG 3.47Å; F512-C516 PolarHBondContact O-N 3.44Å; F512-C516 PolarHBondContact O-SG 2.76Å; K513-C516 WeakPolarHBondContact O-CB 3.36Å; K513-C516 PolarHBondContact O-N 3.45Å; K513-C516 VanDerWaalsContact O-N 3.17Å; C516-F519 WeakPolarHBondContact O-CB 3.36Å; C516-F519 PolarHBondContact O-N 3.49Å; C516-Y520 WeakPolarHBondContact O-CD2 3.31Å; C516-Y520 PolarHBondContact O-N 2.86Å; C516-Y520 VanDerWaalsContact O-N 3.1Å |
| 517 | E | 83.8 | Confident | 76.9 | Confident | 93 Ų | 93 | 50.1 Ų | 50.1 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.5 | -50.4 | 177.6 | -73 | 179.4 | -175.6 | 0 | 0 | 110.4 | K513 D514 F519 Y520 E521 | K513-E517 VanDerWaalsContact CE-OE1 3.23Å; K513-E517 WeakPolarHBondContact CE-OE1 3.41Å; K513-E517 IonicContact NZ-OE1 3.51Å; K513-E517 PolarHBondContact O-N 2.9Å; D514-E517 PolarHBondContact O-N 2.86Å; E517-F519 PolarHBondContact O-N 3.45Å; E517-Y520 PolarHBondContact O-N 3.11Å; E517-E521 WeakPolarHBondContact O-CG 3.4Å; E517-E521 PolarHBondContact O-N 3.27Å |
| 518 | W | 80.9 | Confident | 75.1 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 177.5 | -173 | 90.5 | 0 | 0 | 0 | 113 | F487 L494 D514 Y520 E521 H522 L760 L763 | F487-W518 HydrophobicContact CD1-CB 3.53Å; F487-W518 AromaticContact CD1-CD1 3.43Å; F487-W518 VanDerWaalsContact CD1-CD1 3.43Å; F487-W518 HydrophobicContact CD1-CD2 4.29Å; F487-W518 AromaticContact CD1-CG 3.44Å; F487-W518 HydrophobicContact CD1-CG 3.44Å; F487-W518 VanDerWaalsContact CD1-CG 3.44Å; F487-W518 HydrophobicContact CE1-CB 3.75Å; F487-W518 AromaticContact CE1-CG 3.89Å; F487-W518 HydrophobicContact CE1-CG 3.89Å; F487-W518 HydrophobicContact CG-CB 4.45Å; L494-W518 HydrophobicContact CB-CH2 3.27Å; L494-W518 HydrophobicContact CB-CZ2 3.37Å; L494-W518 HydrophobicContact CB-CZ3 4.03Å; L494-W518 HydrophobicContact CD1-CD2 3.54Å; L494-W518 HydrophobicContact CD1-CE3 3.87Å; L494-W518 HydrophobicContact CD1-CG 4.26Å; L494-W518 HydrophobicContact CD1-CH2 3.7Å; L494-W518 HydrophobicContact CD1-CZ2 3.3Å; L494-W518 HydrophobicContact CD1-CZ3 3.95Å; L494-W518 HydrophobicContact CG-CH2 4.1Å; L494-W518 HydrophobicContact CG-CZ2 3.93Å; D514-W518 PolarHBondContact O-N 3.2Å; W518-Y520 VanDerWaalsContact C-N 3.29Å; W518-Y520 PolarHBondContact O-N 3.26Å; W518-E521 PolarHBondContact O-N 2.91Å; W518-H522 AromaticContact CD1-CE1 3.4Å; W518-H522 VanDerWaalsContact CD1-CE1 3.4Å; W518-H522 AromaticContact CD1-ND1 3.61Å; W518-H522 AromaticContact CD2-CE1 3.83Å; W518-H522 AromaticContact CD2-CG 3.97Å; W518-H522 AromaticContact CD2-ND1 3.44Å; W518-H522 AromaticContact CE2-CD2 3.72Å; W518-H522 AromaticContact CE2-CE1 3.1Å; W518-H522 AromaticContact CE2-CG 3.57Å; W518-H522 AromaticContact CE2-ND1 3.15Å; W518-H522 AromaticContact CE2-NE2 3.43Å; W518-H522 HydrophobicContact CE3-CB 4.47Å; W518-H522 AromaticContact CG-CE1 3.99Å; W518-H522 AromaticContact CG-ND1 3.75Å; W518-H522 HydrophobicContact CH2-CB 4.07Å; W518-H522 AromaticContact CH2-CD2 3.68Å; W518-H522 AromaticContact CH2-CG 3.61Å; W518-H522 HydrophobicContact CZ2-CB 4.32Å; W518-H522 AromaticContact CZ2-CD2 3.22Å; W518-H522 WeakPolarHBondContact CZ2-CD2 3.34Å; W518-H522 AromaticContact CZ2-CE1 3.47Å; W518-H522 VanDerWaalsContact CZ2-CE1 3.47Å; W518-H522 WeakPolarHBondContact CZ2-CE1 3.35Å; W518-H522 AromaticContact CZ2-CG 3.38Å; W518-H522 AromaticContact CZ2-ND1 3.5Å; W518-H522 AromaticContact CZ2-NE2 3.27Å; W518-H522 VanDerWaalsContact CZ2-NE2 3.27Å; W518-H522 WeakPolarHBondContact CZ2-NE2 3.45Å; W518-H522 HydrophobicContact CZ3-CB 4.16Å; W518-H522 AromaticContact NE1-CE1 2.89Å; W518-H522 PolarHBondContact NE1-CE1 3.33Å; W518-H522 AromaticContact NE1-ND1 3.36Å; W518-H522 PolarHBondContact NE1-ND1 2.99Å; W518-H522 AromaticContact NE1-NE2 3.45Å; W518-H522 PolarHBondContact NE1-NE2 3.4Å; W518-H522 PolarHBondContact O-N 3.05Å; W518-H522 PolarHBondContact O-ND1 3.35Å; W518-L760 HydrophobicContact CH2-CD2 3.94Å; W518-L760 HydrophobicContact CZ3-CD2 3.57Å; W518-L763 HydrophobicContact CE3-CD1 3.72Å; W518-L763 HydrophobicContact CZ3-CD1 3.59Å |
| 519 | F | 84.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -53.5 | -47.4 | 176.4 | 166.7 | -94.2 | 0 | 0 | 0 | 110.9 | R515 C516 E517 L523 L640 I756 L760 I761 F764 L772 | R515-F519 VanDerWaalsContact O-CB 3.22Å; R515-F519 WeakPolarHBondContact O-CB 3.48Å; R515-F519 PolarHBondContact O-N 3.31Å; C516-F519 WeakPolarHBondContact O-CB 3.36Å; C516-F519 PolarHBondContact O-N 3.49Å; E517-F519 PolarHBondContact O-N 3.45Å; F519-L523 HydrophobicContact CE1-CD2 3.95Å; F519-L523 HydrophobicContact CZ-CD2 4.05Å; F519-L523 WeakPolarHBondContact O-CB 3.23Å; F519-L523 PolarHBondContact O-N 2.87Å; F519-L640 HydrophobicContact CE1-CD1 4.17Å; F519-L640 HydrophobicContact CE1-CD2 4.31Å; F519-L640 HydrophobicContact CE1-CG 4.13Å; F519-L640 HydrophobicContact CZ-CD2 3.88Å; F519-L640 HydrophobicContact CZ-CG 4.13Å; F519-I756 HydrophobicContact CE2-CG2 4.11Å; F519-I756 HydrophobicContact CZ-CD1 4.31Å; F519-I756 HydrophobicContact CZ-CG2 4Å; F519-L760 HydrophobicContact CD2-CB 3.86Å; F519-L760 HydrophobicContact CE2-CB 3.81Å; F519-I761 HydrophobicContact CE2-CD1 4.39Å; F519-F764 HydrophobicContact CB-CE2 4.13Å; F519-F764 HydrophobicContact CB-CZ 3.96Å; F519-F764 AromaticContact CD2-CE2 3.83Å; F519-F764 HydrophobicContact CD2-CE2 3.83Å; F519-F764 HydrophobicContact CE2-CE2 4.44Å; F519-F764 AromaticContact CG-CE2 3.99Å; F519-F764 HydrophobicContact CG-CE2 3.99Å; F519-F764 HydrophobicContact CG-CZ 4.23Å; F519-L772 HydrophobicContact CE1-CD2 4.47Å |
| 520 | Y | 84.6 | Confident | 71.6 | Confident | 23 Ų | 23 | 60 Ų | 60 | 9% | 0.09 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74.3 | -36.8 | -179.7 | -75.2 | -62 | 0 | 0 | 0 | 113.9 | C516 E517 W518 H522 L523 L524 L640 R643 L772 | C516-Y520 WeakPolarHBondContact O-CD2 3.31Å; C516-Y520 PolarHBondContact O-N 2.86Å; C516-Y520 VanDerWaalsContact O-N 3.1Å; E517-Y520 PolarHBondContact O-N 3.11Å; W518-Y520 VanDerWaalsContact C-N 3.29Å; W518-Y520 PolarHBondContact O-N 3.26Å; Y520-H522 VanDerWaalsContact C-N 3.28Å; Y520-H522 PolarHBondContact O-N 3.23Å; Y520-L523 HydrophobicContact CD1-CD2 4.35Å; Y520-L523 PolarHBondContact O-N 3.21Å; Y520-L524 WeakPolarHBondContact O-CB 3.27Å; Y520-L524 VanDerWaalsContact O-CG 3.28Å; Y520-L524 WeakPolarHBondContact O-CG 3.47Å; Y520-L524 PolarHBondContact O-N 3.43Å; Y520-L524 VanDerWaalsContact O-N 3.13Å; Y520-L640 HydrophobicContact CE1-CD1 4.47Å; Y520-L640 VanDerWaalsContact CE1-O 3.27Å; Y520-L640 WeakPolarHBondContact CE1-O 3.46Å; Y520-L640 WeakPolarHBondContact OH-CD1 3.32Å; Y520-L640 PolarHBondContact OH-O 3.08Å; Y520-R643 HydrophobicContact CD1-CG 3.87Å; Y520-R643 HydrophobicContact CE1-CG 3.52Å; Y520-R643 HydrophobicContact CE2-CG 4.22Å; Y520-R643 HydrophobicContact CG-CG 4.37Å; Y520-L772 HydrophobicContact CE2-CD1 4.32Å |
| 521 | E | 80.8 | Confident | 69.5 | Low | 123 Ų | 123 | 65.9 Ų | 65.9 | 58% | 0.575 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -57.1 | -45.1 | 173.4 | -74.8 | 179.8 | 171.6 | 0 | 0 | 110.7 | E517 W518 L524 A525 | E517-E521 WeakPolarHBondContact O-CG 3.4Å; E517-E521 PolarHBondContact O-N 3.27Å; W518-E521 PolarHBondContact O-N 2.91Å; E521-L524 CarbonylContact O-C 3.57Å; E521-L524 PolarHBondContact O-N 2.97Å; E521-A525 WeakPolarHBondContact O-CA 3.45Å; E521-A525 WeakPolarHBondContact O-CB 3.25Å; E521-A525 PolarHBondContact O-N 3.37Å |
| 522 | H | 75.8 | Confident | 67.7 | Low | 55 Ų | 55 | 70.4 Ų | 70.4 | 26% | 0.255 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -77.1 | -33.6 | -178.1 | -72.7 | 65.9 | 0 | 0 | 0 | 113 | W518 Y520 L524 A525 | W518-H522 AromaticContact CD1-CE1 3.4Å; W518-H522 VanDerWaalsContact CD1-CE1 3.4Å; W518-H522 AromaticContact CD1-ND1 3.61Å; W518-H522 AromaticContact CD2-CE1 3.83Å; W518-H522 AromaticContact CD2-CG 3.97Å; W518-H522 AromaticContact CD2-ND1 3.44Å; W518-H522 AromaticContact CE2-CD2 3.72Å; W518-H522 AromaticContact CE2-CE1 3.1Å; W518-H522 AromaticContact CE2-CG 3.57Å; W518-H522 AromaticContact CE2-ND1 3.15Å; W518-H522 AromaticContact CE2-NE2 3.43Å; W518-H522 HydrophobicContact CE3-CB 4.47Å; W518-H522 AromaticContact CG-CE1 3.99Å; W518-H522 AromaticContact CG-ND1 3.75Å; W518-H522 HydrophobicContact CH2-CB 4.07Å; W518-H522 AromaticContact CH2-CD2 3.68Å; W518-H522 AromaticContact CH2-CG 3.61Å; W518-H522 HydrophobicContact CZ2-CB 4.32Å; W518-H522 AromaticContact CZ2-CD2 3.22Å; W518-H522 WeakPolarHBondContact CZ2-CD2 3.34Å; W518-H522 AromaticContact CZ2-CE1 3.47Å; W518-H522 VanDerWaalsContact CZ2-CE1 3.47Å; W518-H522 WeakPolarHBondContact CZ2-CE1 3.35Å; W518-H522 AromaticContact CZ2-CG 3.38Å; W518-H522 AromaticContact CZ2-ND1 3.5Å; W518-H522 AromaticContact CZ2-NE2 3.27Å; W518-H522 VanDerWaalsContact CZ2-NE2 3.27Å; W518-H522 WeakPolarHBondContact CZ2-NE2 3.45Å; W518-H522 HydrophobicContact CZ3-CB 4.16Å; W518-H522 AromaticContact NE1-CE1 2.89Å; W518-H522 PolarHBondContact NE1-CE1 3.33Å; W518-H522 AromaticContact NE1-ND1 3.36Å; W518-H522 PolarHBondContact NE1-ND1 2.99Å; W518-H522 AromaticContact NE1-NE2 3.45Å; W518-H522 PolarHBondContact NE1-NE2 3.4Å; W518-H522 PolarHBondContact O-N 3.05Å; W518-H522 PolarHBondContact O-ND1 3.35Å; Y520-H522 VanDerWaalsContact C-N 3.28Å; Y520-H522 PolarHBondContact O-N 3.23Å; H522-L524 PolarHBondContact O-N 3.19Å; H522-A525 PolarHBondContact O-N 3.48Å |
| 523 | L | 79 | Confident | 65.5 | Low | 21 Ų | 21 | 74.5 Ų | 74.5 | 11% | 0.11 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.3 | -29 | 173 | -171.1 | 64.8 | 0 | 0 | 0 | 112 | F519 Y520 Y641 I756 L760 | F519-L523 HydrophobicContact CE1-CD2 3.95Å; F519-L523 HydrophobicContact CZ-CD2 4.05Å; F519-L523 WeakPolarHBondContact O-CB 3.23Å; F519-L523 PolarHBondContact O-N 2.87Å; Y520-L523 HydrophobicContact CD1-CD2 4.35Å; Y520-L523 PolarHBondContact O-N 3.21Å; L523-Y641 HydrophobicContact CD1-CD2 3.98Å; L523-Y641 HydrophobicContact CD1-CE2 4.11Å; L523-Y641 HydrophobicContact CD2-CD2 3.71Å; L523-Y641 HydrophobicContact CD2-CE2 4.28Å; L523-Y641 HydrophobicContact CD2-CG 4.36Å; L523-Y641 HydrophobicContact CG-CD2 3.72Å; L523-Y641 HydrophobicContact CG-CE2 3.8Å; L523-I756 HydrophobicContact CD1-CD1 4.19Å; L523-I756 HydrophobicContact CD2-CD1 3.78Å; L523-L760 HydrophobicContact CD1-CD1 4.3Å |
| 524 | L | 75.8 | Confident | 63.7 | Low | 64 Ų | 64 | 76.8 Ų | 76.8 | 34% | 0.335 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -103.2 | -4.5 | -178.1 | -60.6 | 174.4 | 0 | 0 | 0 | 114.1 | Y520 E521 H522 G526 Q527 Y641 | Y520-L524 WeakPolarHBondContact O-CB 3.27Å; Y520-L524 VanDerWaalsContact O-CG 3.28Å; Y520-L524 WeakPolarHBondContact O-CG 3.47Å; Y520-L524 PolarHBondContact O-N 3.43Å; Y520-L524 VanDerWaalsContact O-N 3.13Å; E521-L524 CarbonylContact O-C 3.57Å; E521-L524 PolarHBondContact O-N 2.97Å; H522-L524 PolarHBondContact O-N 3.19Å; L524-G526 PolarHBondContact O-N 2.81Å; L524-Q527 PolarHBondContact O-N 3.25Å; L524-Y641 HydrophobicContact CD2-CE1 4.22Å |
| 525 | A | 58.3 | Low | 62 | Low | 83 Ų | 83 | 83.5 Ų | 83.5 | 69% | 0.686 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 10.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | E521 H522 | E521-A525 WeakPolarHBondContact O-CA 3.45Å; E521-A525 WeakPolarHBondContact O-CB 3.25Å; E521-A525 PolarHBondContact O-N 3.37Å; H522-A525 PolarHBondContact O-N 3.48Å |
| 526 | G | 51.8 | Low | 60.2 | Low | 77 Ų | 77 | 88.6 Ų | 88.6 | 79% | 0.794 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.6 | 2.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | L524 | L524-G526 PolarHBondContact O-N 2.81Š|
| 527 | Q | 54.1 | Low | 58.9 | Low | 76 Ų | 76 | 92 Ų | 92 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -100.3 | 132.4 | 177.2 | -65.2 | -88.2 | -14.8 | 0 | 0 | 108.9 | L524 D529 | L524-Q527 PolarHBondContact O-N 3.25Å; Q527-D529 PolarHBondContact O-N 3.15Å |
| 528 | P | 42.9 | Very low | 57.7 | Low | 111 Ų | 111 | 92.4 Ų | 92.4 | 72% | 0.721 | 52% | 0.515 | S | S | * | . | trans | -58.6 | 132.7 | 168.9 | 25.6 | -31.1 | 0 | 0 | 0 | 107.9 | S530 | P528-S530 VanDerWaalsContact C-N 3.29Å; P528-S530 PolarHBondContact O-N 3.2Å | ||
| 529 | D | 39 | Very low | 56.9 | Low | 164 Ų | 164 | 99.7 Ų | 99.7 | 88% | 0.877 | 55% | 0.55 | S | S | * | . | trans | -27.1 | 89.8 | 179.6 | -90.7 | -31.7 | 0 | 0 | 0 | 111.3 | Q527 D531 | Q527-D529 PolarHBondContact O-N 3.15Å; D529-D531 PolarHBondContact O-N 3.2Å; D529-D531 VanDerWaalsContact O-N 3.12Å | ||
| 530 | S | 38.5 | Very low | 55.8 | Low | 83 Ų | 83 | 104.3 Ų | 104.3 | 58% | 0.58 | 58% | 0.582 | S | S | * | * | trans | -90.3 | 70.3 | 170.8 | 82.1 | 0 | 0 | 0 | 0 | 104.6 | P528 M532 | P528-S530 VanDerWaalsContact C-N 3.29Å; P528-S530 PolarHBondContact O-N 3.2Å; S530-M532 PolarHBondContact O-N 3.07Å | ||
| 531 | D | 35.6 | Very low | 55.1 | Low | 133 Ų | 133 | 106.3 Ų | 106.3 | 71% | 0.711 | 59% | 0.594 | S | S | * | * | trans | -43.4 | 120.3 | 145.1 | -91.7 | -21.2 | 0 | 0 | 0 | 105.2 | D529 V533 | D529-D531 PolarHBondContact O-N 3.2Å; D529-D531 VanDerWaalsContact O-N 3.12Å; D531-V533 HydrophobicContact CB-CG2 4.22Å; D531-V533 PolarHBondContact O-N 3.35Å | ||
| 532 | M | 42 | Very low | 55 | Low | 151 Ų | 151 | 101.2 Ų | 101.2 | 74% | 0.744 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -67.9 | 43 | -177.2 | -67.4 | 174.6 | 62.4 | 0 | 0 | 111.6 | S530 | S530-M532 PolarHBondContact O-N 3.07Š|
| 533 | V | 36.7 | Very low | 55.4 | Low | 107 Ų | 107 | 99 Ų | 99 | 65% | 0.648 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -101.2 | 95.4 | 178.6 | -175.4 | 0 | 0 | 0 | 0 | 107.4 | D531 | D531-V533 HydrophobicContact CB-CG2 4.22Å; D531-V533 PolarHBondContact O-N 3.35Å |
| 534 | H | 42.9 | Very low | 55.7 | Low | 174 Ų | 174 | 102 Ų | 102 | 81% | 0.806 | 58% | 0.576 | S | S | * | * | trans | 50.3 | 69.3 | 156 | -62.9 | -65.7 | 0 | 0 | 0 | 116.9 | ||||
| 535 | R | 45.9 | Very low | 56.3 | Low | 188 Ų | 188 | 98.9 Ų | 98.9 | 71% | 0.709 | 56% | 0.56 | S | S | * | * | trans | -76.4 | 128.4 | 151.7 | -158.1 | 179.1 | -161.1 | -172.2 | 4.8 | 108.4 | V537 | R535-V537 PolarHBondContact O-N 2.79Å; R535-V537 VanDerWaalsContact O-N 3.09Å | ||
| 536 | P | 47.5 | Very low | 57.7 | Low | 110 Ų | 110 | 98.8 Ų | 98.8 | 71% | 0.714 | 55% | 0.545 | S | S | * | . | trans | -63.1 | 114.2 | 170.9 | 23.9 | -29.8 | 0 | 0 | 0 | 108.5 | N538 | P536-N538 PolarHBondContact O-N 2.91Š| ||
| 537 | V | 55.5 | Low | 59.3 | Low | 88 Ų | 88 | 99.7 Ų | 99.7 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | trans | -72.9 | 117 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | R535 I542 A571 | R535-V537 PolarHBondContact O-N 2.79Å; R535-V537 VanDerWaalsContact O-N 3.09Å; V537-I542 HydrophobicContact CG1-CG1 3.92Å; V537-A571 HydrophobicContact CG1-CB 3.75Å | ||
| 538 | N | 60.4 | Low | 60.7 | Low | 103 Ų | 103 | 103.9 Ų | 103.9 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | trans | -68.3 | 144.3 | 171.7 | -71.7 | -27.9 | 0 | 0 | 0 | 109.6 | P536 S540 D541 | P536-N538 PolarHBondContact O-N 2.91Å; N538-S540 PolarHBondContact O-N 2.87Å; N538-D541 PolarHBondContact O-N 3.41Å | ||
| 539 | E | 62.5 | Low | 62.7 | Low | 160 Ų | 160 | 101 Ų | 101 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -58.8 | -25.6 | -178.5 | -73.1 | -169.9 | 147.4 | 0 | 0 | 113.8 | D541 I542 | E539-D541 VanDerWaalsContact C-N 3.26Å; E539-D541 PolarHBondContact O-N 2.87Å; E539-I542 HydrophobicContact CB-CD1 4.49Å |
| 540 | S | 62.2 | Low | 65 | Low | 96 Ų | 96 | 93.8 Ų | 93.8 | 67% | 0.671 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -72.8 | -12.9 | 178.1 | 58 | 0 | 0 | 0 | 0 | 114.8 | N538 | N538-S540 PolarHBondContact O-N 2.87Š|
| 541 | D | 70.1 | Confident | 67.4 | Low | 66 Ų | 66 | 89.8 Ų | 89.8 | 35% | 0.353 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -104.8 | 10.5 | -177.1 | -59.8 | -40.4 | 0 | 0 | 0 | 112.3 | N538 E539 K565 | N538-D541 PolarHBondContact O-N 3.41Å; E539-D541 VanDerWaalsContact C-N 3.26Å; E539-D541 PolarHBondContact O-N 2.87Å; D541-K565 IonicContact OD1-NZ 3.12Å; D541-K565 PolarHBondContact OD1-NZ 3.27Å |
| 542 | I | 79.5 | Confident | 69.8 | Low | 15 Ų | 15 | 90.7 Ų | 90.7 | 8% | 0.077 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 125.9 | 178.7 | -57.8 | 166 | 0 | 0 | 0 | 109.7 | V537 E539 L544 A571 R573 M580 | V537-I542 HydrophobicContact CG1-CG1 3.92Å; E539-I542 HydrophobicContact CB-CD1 4.49Å; I542-L544 PolarHBondContact O-N 3.05Å; I542-A571 HydrophobicContact CG1-CB 4.38Å; I542-R573 HydrophobicContact CG2-CB 3.62Å; I542-M580 HydrophobicContact CB-CE 4.46Å; I542-M580 HydrophobicContact CD1-CE 3.43Å; I542-M580 VanDerWaalsContact CD1-CE 3.43Å; I542-M580 HydrophobicContact CD1-SD 4.45Å; I542-M580 HydrophobicContact CG1-CE 3.85Å; I542-M580 HydrophobicContact CG2-CE 3.75Å |
| 543 | L | 83.4 | Confident | 72.1 | Confident | 10 Ų | 10 | 84 Ų | 84 | 5% | 0.052 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 106.3 | 169.8 | -56.8 | 178.4 | 0 | 0 | 0 | 109 | I545 M557 L566 I570 A571 V572 R573 W588 | L543-I545 HydrophobicContact CB-CD1 4.22Å; L543-I545 HydrophobicContact CB-CG1 4.31Å; L543-M557 HydrophobicContact CD2-CB 4.28Å; L543-L566 HydrophobicContact CD1-CD2 4.43Å; L543-I570 HydrophobicContact CD1-CG2 4.15Å; L543-A571 PolarHBondContact N-O 3.34Å; L543-V572 HydrophobicContact CB-CG2 4.46Å; L543-R573 PolarHBondContact O-N 3.29Å; L543-W588 HydrophobicContact CD1-CH2 4.35Å |
| 544 | L | 85.1 | Confident | 74.6 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 43% | 0.429 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 116.5 | 173.6 | -83.2 | 158.2 | 0 | 0 | 0 | 110.1 | I542 R573 | I542-L544 PolarHBondContact O-N 3.05Å; L544-R573 WeakPolarHBondContact CA-O 3.14Å; L544-R573 HydrophobicContact CD2-CB 4.3Å; L544-R573 HydrophobicContact CD2-CG 4.45Å |
| 545 | I | 88.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 135.9 | -169.8 | -53.8 | -176.1 | 0 | 0 | 0 | 110.6 | L543 I550 V572 R573 F574 H575 W588 | L543-I545 HydrophobicContact CB-CD1 4.22Å; L543-I545 HydrophobicContact CB-CG1 4.31Å; I545-I550 HydrophobicContact CG2-CG1 4.41Å; I545-V572 HydrophobicContact CD1-CG1 3.65Å; I545-V572 HydrophobicContact CD1-CG2 4.39Å; I545-V572 HydrophobicContact CG1-CG1 4.18Å; I545-R573 PolarHBondContact N-O 3.08Å; I545-F574 HydrophobicContact CB-CD1 4.22Å; I545-F574 HydrophobicContact CB-CE1 4.38Å; I545-F574 HydrophobicContact CG2-CD1 4.41Å; I545-F574 HydrophobicContact CG2-CE1 4.28Å; I545-F574 CarbonylContact O-C 3.52Å; I545-F574 WeakPolarHBondContact O-CA 3.44Å; I545-H575 PolarHBondContact O-N 2.87Å; I545-W588 HydrophobicContact CD1-CD2 4.28Å; I545-W588 HydrophobicContact CD1-CG 4.22Å; I545-W588 HydrophobicContact CD1-CZ2 4.08Å |
| 546 | H | 87.8 | Confident | 78.7 | Confident | 81 Ų | 81 | 67.7 Ų | 67.7 | 38% | 0.375 | 35% | 0.354 | S | S | . | . | trans | -89.3 | 128.4 | 176 | -71.1 | -88 | 0 | 0 | 0 | 111.3 | D548 S549 I550 S553 H575 | H546-D548 VanDerWaalsContact C-N 3.33Å; H546-D548 PolarHBondContact O-N 3.12Å; H546-S549 CarbonylContact O-C 3.5Å; H546-S549 PolarHBondContact O-N 3.45Å; H546-I550 WeakPolarHBondContact O-CA 3.33Å; H546-I550 VanDerWaalsContact O-CG1 3.27Å; H546-I550 WeakPolarHBondContact O-CG1 3.42Å; H546-I550 PolarHBondContact O-N 2.92Å; H546-I550 VanDerWaalsContact O-N 3.09Å; H546-S553 PolarHBondContact N-OG 3.04Å; H546-H575 AromaticContact CE1-CD2 3.26Å; H546-H575 PolarHBondContact CE1-CD2 3.33Å; H546-H575 AromaticContact CE1-CG 3.44Å; H546-H575 VanDerWaalsContact CE1-CG 3.44Å; H546-H575 AromaticContact CE1-NE2 3.87Å; H546-H575 AromaticContact ND1-CD2 3.99Å; H546-H575 AromaticContact ND1-CG 3.7Å; H546-H575 AromaticContact NE2-CD2 3.83Å | ||
| 547 | R | 85.1 | Confident | 80.6 | Confident | 96 Ų | 96 | 64.9 Ų | 64.9 | 36% | 0.362 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -64.1 | -34.9 | 178.5 | -76.9 | -161.9 | -177.2 | -101.8 | 1.9 | 113.6 | S549 I550 F574 E577 E587 | R547-S549 PolarHBondContact O-N 3.45Å; R547-I550 HydrophobicContact CB-CD1 4.43Å; R547-I550 HydrophobicContact CG-CD1 4.43Å; R547-I550 WeakPolarHBondContact O-CG1 3.33Å; R547-F574 HydrophobicContact CG-CB 4.3Å; R547-F574 HydrophobicContact CG-CD1 3.81Å; R547-F574 HydrophobicContact CG-CE1 4.37Å; R547-F574 HydrophobicContact CG-CG 4.09Å; R547-E577 WeakPolarHBondContact CD-OE1 3.37Å; R547-E577 IonicContact CZ-OE1 3.2Å; R547-E577 IonicContact CZ-OE2 2.95Å; R547-E577 IonicContact NE-OE1 3.39Å; R547-E577 PolarHBondContact NE-OE1 2.83Å; R547-E577 IonicContact NE-OE2 3.89Å; R547-E577 IonicContact NH2-OE1 2.71Å; R547-E577 PolarHBondContact NH2-OE1 3.42Å; R547-E577 IonicContact NH2-OE2 3.94Å; R547-E577 PolarHBondContact NH2-OE2 3.24Å; R547-E577 VanDerWaalsContact NH2-OE2 3.08Å; R547-E587 IonicContact CZ-OE1 3.39Å; R547-E587 VanDerWaalsContact CZ-OE1 3.26Å; R547-E587 IonicContact NH1-OE1 2.69Å; R547-E587 PolarHBondContact NH1-OE1 3.37Å; R547-E587 IonicContact NH2-OE1 3.89Å; R547-E587 PolarHBondContact NH2-OE1 2.9Å; R547-E587 IonicContact NH2-OE2 2.97Å |
| 548 | D | 83.1 | Confident | 82 | Confident | 163 Ų | 163 | 60.9 Ų | 60.9 | 87% | 0.872 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -72.5 | -12.9 | -178.4 | -54.7 | -40 | 0 | 0 | 0 | 113.3 | H546 | H546-D548 VanDerWaalsContact C-N 3.33Å; H546-D548 PolarHBondContact O-N 3.12Å |
| 549 | S | 85.4 | Confident | 83.2 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -145.6 | 40.2 | -177 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | H546 R547 F551 R552 S553 | H546-S549 CarbonylContact O-C 3.5Å; H546-S549 PolarHBondContact O-N 3.45Å; R547-S549 PolarHBondContact O-N 3.45Å; S549-F551 VanDerWaalsContact C-N 3.31Å; S549-F551 PolarHBondContact O-N 3.19Å; S549-R552 PolarHBondContact O-N 3.44Å; S549-S553 VanDerWaalsContact O-CB 3.23Å; S549-S553 WeakPolarHBondContact O-CB 3.41Å; S549-S553 PolarHBondContact O-N 2.81Å |
| 550 | I | 87.9 | Confident | 84.2 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -49.9 | -48.9 | -170.9 | -73.4 | 169.5 | 0 | 0 | 0 | 112.1 | I545 H546 R547 S554 F574 I591 L592 | I545-I550 HydrophobicContact CG2-CG1 4.41Å; H546-I550 WeakPolarHBondContact O-CA 3.33Å; H546-I550 VanDerWaalsContact O-CG1 3.27Å; H546-I550 WeakPolarHBondContact O-CG1 3.42Å; H546-I550 PolarHBondContact O-N 2.92Å; H546-I550 VanDerWaalsContact O-N 3.09Å; R547-I550 HydrophobicContact CB-CD1 4.43Å; R547-I550 HydrophobicContact CG-CD1 4.43Å; R547-I550 WeakPolarHBondContact O-CG1 3.33Å; I550-S554 WeakPolarHBondContact O-CB 3.41Å; I550-S554 PolarHBondContact O-N 3.16Å; I550-S554 PolarHBondContact O-OG 3.47Å; I550-F574 HydrophobicContact CD1-CE1 4.4Å; I550-I591 HydrophobicContact CD1-CB 4.45Å; I550-I591 HydrophobicContact CD1-CD1 4.14Å; I550-I591 HydrophobicContact CD1-CG2 3.56Å; I550-I591 HydrophobicContact CG2-CG2 4.16Å; I550-L592 HydrophobicContact CG2-CD2 3.78Å; I550-L592 HydrophobicContact CG2-CG 4.18Å |
| 551 | F | 87.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -51.8 | -176.4 | -169.5 | -105.4 | 0 | 0 | 0 | 112.4 | S549 C555 L592 E595 I596 Y601 L603 Y628 F631 | S549-F551 VanDerWaalsContact C-N 3.31Å; S549-F551 PolarHBondContact O-N 3.19Å; F551-C555 WeakPolarHBondContact O-CB 3.41Å; F551-C555 PolarHBondContact O-N 3.19Å; F551-L592 HydrophobicContact CD2-CD2 4.32Å; F551-E595 HydrophobicContact CB-CB 4.11Å; F551-E595 HydrophobicContact CD2-CB 3.87Å; F551-E595 HydrophobicContact CG-CB 4.36Å; F551-I596 HydrophobicContact CE2-CG1 3.82Å; F551-Y601 HydrophobicContact CB-CE2 3.8Å; F551-Y601 WeakPolarHBondContact CB-OH 3.16Å; F551-Y601 HydrophobicContact CD1-CD1 4.2Å; F551-Y601 HydrophobicContact CD1-CD2 4.07Å; F551-Y601 AromaticContact CD1-CE1 3.93Å; F551-Y601 HydrophobicContact CD1-CE1 3.93Å; F551-Y601 AromaticContact CD1-CE2 3.78Å; F551-Y601 HydrophobicContact CD1-CE2 3.78Å; F551-Y601 HydrophobicContact CD1-CG 4.29Å; F551-Y601 AromaticContact CD1-CZ 3.73Å; F551-Y601 HydrophobicContact CD2-CE2 4.41Å; F551-Y601 HydrophobicContact CE1-CD1 4.44Å; F551-Y601 HydrophobicContact CE1-CD2 4.33Å; F551-Y601 HydrophobicContact CE1-CE2 4.48Å; F551-Y601 HydrophobicContact CE1-CG 4.32Å; F551-Y601 HydrophobicContact CG-CD2 4.29Å; F551-Y601 AromaticContact CG-CE2 3.74Å; F551-Y601 HydrophobicContact CG-CE2 3.74Å; F551-Y601 AromaticContact CG-CZ 3.92Å; F551-L603 HydrophobicContact CE1-CD1 4.18Å; F551-L603 HydrophobicContact CZ-CD1 3.72Å; F551-Y628 HydrophobicContact CD1-CD1 4.32Å; F551-Y628 HydrophobicContact CD1-CE1 4.3Å; F551-Y628 AromaticContact CE1-CD1 3.46Å; F551-Y628 HydrophobicContact CE1-CD1 3.46Å; F551-Y628 VanDerWaalsContact CE1-CD1 3.46Å; F551-Y628 HydrophobicContact CE1-CD2 4.36Å; F551-Y628 AromaticContact CE1-CE1 3.86Å; F551-Y628 HydrophobicContact CE1-CE1 3.86Å; F551-Y628 AromaticContact CE1-CG 3.75Å; F551-Y628 HydrophobicContact CE1-CG 3.75Å; F551-Y628 HydrophobicContact CZ-CD1 4.12Å; F551-Y628 HydrophobicContact CZ-CG 4.29Å; F551-F631 HydrophobicContact CD2-CE1 4.14Å; F551-F631 AromaticContact CE2-CD1 3.99Å; F551-F631 HydrophobicContact CE2-CD1 3.99Å; F551-F631 AromaticContact CE2-CE1 3.92Å; F551-F631 HydrophobicContact CE2-CE1 3.92Å; F551-F631 HydrophobicContact CZ-CD1 4.03Å; F551-F631 HydrophobicContact CZ-CE1 4.37Å |
| 552 | R | 86.7 | Confident | 85.8 | Confident | 151 Ų | 151 | 56.3 Ų | 56.3 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -68.7 | -43.8 | -179.7 | -68.8 | -174.3 | 178.8 | 160.6 | 3 | 112.3 | S549 S554 C555 E556 | S549-R552 PolarHBondContact O-N 3.44Å; R552-S554 VanDerWaalsContact C-N 3.33Å; R552-S554 PolarHBondContact O-N 3.35Å; R552-C555 PolarHBondContact O-N 3.07Å; R552-E556 PolarHBondContact O-N 2.86Å |
| 553 | S | 89.3 | Confident | 86 | Confident | 11 Ų | 11 | 59 Ų | 59 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 178 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | H546 S549 E556 M557 | H546-S553 PolarHBondContact N-OG 3.04Å; S549-S553 VanDerWaalsContact O-CB 3.23Å; S549-S553 WeakPolarHBondContact O-CB 3.41Å; S549-S553 PolarHBondContact O-N 2.81Å; S553-E556 PolarHBondContact O-N 3.38Å; S553-M557 WeakPolarHBondContact O-CB 3.47Å; S553-M557 VanDerWaalsContact O-CG 3.24Å; S553-M557 WeakPolarHBondContact O-CG 3.47Å; S553-M557 PolarHBondContact O-N 3.46Å |
| 554 | S | 89.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | I550 R552 E556 M557 V558 W588 | I550-S554 WeakPolarHBondContact O-CB 3.41Å; I550-S554 PolarHBondContact O-N 3.16Å; I550-S554 PolarHBondContact O-OG 3.47Å; R552-S554 VanDerWaalsContact C-N 3.33Å; R552-S554 PolarHBondContact O-N 3.35Å; S554-E556 VanDerWaalsContact C-N 3.32Å; S554-E556 PolarHBondContact O-N 2.9Å; S554-M557 PolarHBondContact O-N 2.9Å; S554-V558 WeakPolarHBondContact O-CB 3.47Å; S554-V558 VanDerWaalsContact O-CG2 3.27Å; S554-V558 WeakPolarHBondContact O-CG2 3.33Å; S554-V558 PolarHBondContact O-N 3.02Å; S554-W588 PolarHBondContact OG-NE1 3.01Å |
| 555 | C | 89 | Confident | 85.5 | Confident | 22 Ų | 22 | 66.5 Ų | 66.5 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 176.2 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | F551 R552 S559 Y628 F631 | F551-C555 WeakPolarHBondContact O-CB 3.41Å; F551-C555 PolarHBondContact O-N 3.19Å; R552-C555 PolarHBondContact O-N 3.07Å; C555-S559 VanDerWaalsContact O-CB 3.28Å; C555-S559 WeakPolarHBondContact O-CB 3.26Å; C555-S559 PolarHBondContact O-N 3.22Å; C555-S559 VanDerWaalsContact O-N 3.14Å; C555-S559 PolarHBondContact O-OG 3.39Å; C555-Y628 HydrophobicContact CB-CE1 4.43Å; C555-F631 VanDerWaalsContact CA-CE2 3.48Å; C555-F631 HydrophobicContact CB-CD1 3.9Å; C555-F631 HydrophobicContact CB-CD2 4.09Å; C555-F631 HydrophobicContact CB-CE1 4.02Å; C555-F631 HydrophobicContact CB-CE2 4.21Å; C555-F631 HydrophobicContact CB-CG 3.93Å; C555-F631 HydrophobicContact CB-CZ 4.18Å |
| 556 | E | 87 | Confident | 85.2 | Confident | 105 Ų | 105 | 66.8 Ų | 66.8 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 178.2 | -172.9 | 179.4 | 178.7 | 0 | 0 | 112.3 | R552 S553 S554 S559 K560 | R552-E556 PolarHBondContact O-N 2.86Å; S553-E556 PolarHBondContact O-N 3.38Å; S554-E556 VanDerWaalsContact C-N 3.32Å; S554-E556 PolarHBondContact O-N 2.9Å; E556-S559 PolarHBondContact O-OG 2.88Å; E556-K560 HydrophobicContact CG-CD 4.28Å; E556-K560 VanDerWaalsContact O-CG 3.25Å; E556-K560 WeakPolarHBondContact O-CG 3.43Å; E556-K560 PolarHBondContact O-N 2.62Å; E556-K560 WeakPolarHBondContact OE1-CE 3.26Å; E556-K560 IonicContact OE1-NZ 3.08Å; E556-K560 PolarHBondContact OE1-NZ 3.38Å |
| 557 | M | 86.2 | Confident | 85 | Confident | 50 Ų | 50 | 66 Ų | 66 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.7 | -37 | -177.5 | -68 | -59.1 | -70.8 | 0 | 0 | 113.1 | L543 S553 S554 S561 | L543-M557 HydrophobicContact CD2-CB 4.28Å; S553-M557 WeakPolarHBondContact O-CB 3.47Å; S553-M557 VanDerWaalsContact O-CG 3.24Å; S553-M557 WeakPolarHBondContact O-CG 3.47Å; S553-M557 PolarHBondContact O-N 3.46Å; S554-M557 PolarHBondContact O-N 2.9Å; M557-S561 PolarHBondContact O-N 3.03Å; M557-S561 PolarHBondContact O-OG 3.38Å |
| 558 | V | 86.1 | Confident | 84.6 | Confident | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.03 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.1 | -41.8 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | S554 K560 S561 L566 W588 F631 I635 | S554-V558 WeakPolarHBondContact O-CB 3.47Å; S554-V558 VanDerWaalsContact O-CG2 3.27Å; S554-V558 WeakPolarHBondContact O-CG2 3.33Å; S554-V558 PolarHBondContact O-N 3.02Å; V558-K560 VanDerWaalsContact C-N 3.31Å; V558-K560 PolarHBondContact O-N 3.19Å; V558-S561 PolarHBondContact O-N 3.4Å; V558-S561 VanDerWaalsContact O-N 3.15Å; V558-L566 HydrophobicContact CG1-CD1 4.05Å; V558-W588 HydrophobicContact CG2-CH2 4.19Å; V558-W588 HydrophobicContact CG2-CZ2 4.22Å; V558-F631 HydrophobicContact CB-CD2 4.44Å; V558-F631 HydrophobicContact CB-CE2 3.92Å; V558-F631 HydrophobicContact CG1-CD2 4.46Å; V558-F631 HydrophobicContact CG1-CE2 4.24Å; V558-F631 HydrophobicContact CG2-CE2 4.03Å; V558-I635 HydrophobicContact CG2-CD1 4.33Å |
| 559 | S | 84.5 | Confident | 84.2 | Confident | 79 Ų | 79 | 60.3 Ų | 60.3 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.1 | -28.2 | 177.5 | 58 | 0 | 0 | 0 | 0 | 114 | C555 E556 S561 | C555-S559 VanDerWaalsContact O-CB 3.28Å; C555-S559 WeakPolarHBondContact O-CB 3.26Å; C555-S559 PolarHBondContact O-N 3.22Å; C555-S559 VanDerWaalsContact O-N 3.14Å; C555-S559 PolarHBondContact O-OG 3.39Å; E556-S559 PolarHBondContact O-OG 2.88Å; S559-S561 VanDerWaalsContact C-N 3.35Å |
| 560 | K | 83.8 | Confident | 84 | Confident | 137 Ų | 137 | 58.8 Ų | 58.8 | 60% | 0.596 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -76.7 | -18.6 | 173.2 | -74.5 | 174 | -174.2 | 173.6 | 0 | 113.8 | E556 V558 | E556-K560 HydrophobicContact CG-CD 4.28Å; E556-K560 VanDerWaalsContact O-CG 3.25Å; E556-K560 WeakPolarHBondContact O-CG 3.43Å; E556-K560 PolarHBondContact O-N 2.62Å; E556-K560 WeakPolarHBondContact OE1-CE 3.26Å; E556-K560 IonicContact OE1-NZ 3.08Å; E556-K560 PolarHBondContact OE1-NZ 3.38Å; V558-K560 VanDerWaalsContact C-N 3.31Å; V558-K560 PolarHBondContact O-N 3.19Å |
| 561 | S | 82.9 | Confident | 83.7 | Confident | 36 Ų | 36 | 59 Ų | 59 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -88.2 | 151.1 | -177 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | M557 V558 S559 | M557-S561 PolarHBondContact O-N 3.03Å; M557-S561 PolarHBondContact O-OG 3.38Å; V558-S561 PolarHBondContact O-N 3.4Å; V558-S561 VanDerWaalsContact O-N 3.15Å; S559-S561 VanDerWaalsContact C-N 3.35Å |
| 562 | T | 83.5 | Confident | 83.5 | Confident | 77 Ų | 77 | 59.1 Ų | 59.1 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | trans | -82.9 | 143.7 | 174.8 | 59.7 | 0 | 0 | 0 | 0 | 111.1 | E564 K565 L566 | T562-E564 PolarHBondContact O-N 3.39Å; T562-K565 WeakPolarHBondContact O-CB 3.44Å; T562-K565 PolarHBondContact O-N 3.3Å; T562-K565 VanDerWaalsContact OG1-CG 3.27Å; T562-K565 WeakPolarHBondContact OG1-CG 3.35Å; T562-L566 PolarHBondContact O-N 2.98Å | ||
| 563 | N | 83.4 | Confident | 83.5 | Confident | 72 Ų | 72 | 55 Ų | 55 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.5 | -35.3 | -179.4 | -62.7 | -26 | 0 | 0 | 0 | 112.8 | L566 K567 T754 | N563-L566 PolarHBondContact O-N 3.38Å; N563-K567 WeakPolarHBondContact O-CG 3.43Å; N563-K567 PolarHBondContact O-N 2.84Å; N563-T754 HydrophobicContact CB-CG2 4.34Å; N563-T754 VanDerWaalsContact CG-CG2 3.49Å; N563-T754 VanDerWaalsContact ND2-CG2 3.29Å; N563-T754 WeakPolarHBondContact ND2-CG2 3.46Å |
| 564 | E | 78.8 | Confident | 83.4 | Confident | 147 Ų | 147 | 54.5 Ų | 54.5 | 69% | 0.687 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.6 | -37.8 | 177.2 | -66.1 | 173.2 | 175.3 | 0 | 0 | 112.4 | T562 K567 Q568 | T562-E564 PolarHBondContact O-N 3.39Å; E564-K567 PolarHBondContact O-N 3.3Å; E564-Q568 WeakPolarHBondContact O-CG 3.37Å; E564-Q568 PolarHBondContact O-N 3Å |
| 565 | K | 79.9 | Confident | 83.2 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.9 | -46.5 | 175.6 | -76.7 | -178.5 | 171.2 | -141.5 | 0 | 111.1 | D541 T562 K567 Q568 G569 | D541-K565 IonicContact OD1-NZ 3.12Å; D541-K565 PolarHBondContact OD1-NZ 3.27Å; T562-K565 WeakPolarHBondContact O-CB 3.44Å; T562-K565 PolarHBondContact O-N 3.3Å; T562-K565 VanDerWaalsContact OG1-CG 3.27Å; T562-K565 WeakPolarHBondContact OG1-CG 3.35Å; K565-K567 PolarHBondContact O-N 2.93Å; K565-Q568 PolarHBondContact O-N 3.02Å; K565-G569 PolarHBondContact O-N 3.45Å |
| 566 | L | 82.1 | Confident | 82.7 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -30.9 | 178.3 | -65.8 | 173.8 | 0 | 0 | 0 | 112.3 | L543 V558 T562 N563 L638 H642 F755 | L543-L566 HydrophobicContact CD1-CD2 4.43Å; V558-L566 HydrophobicContact CG1-CD1 4.05Å; T562-L566 PolarHBondContact O-N 2.98Å; N563-L566 PolarHBondContact O-N 3.38Å; L566-L638 HydrophobicContact CB-CD1 4.05Å; L566-H642 PolarHBondContact O-CE1 3.4Å; L566-H642 PolarHBondContact O-NE2 3.06Å; L566-F755 HydrophobicContact CB-CE1 4.05Å; L566-F755 HydrophobicContact CB-CZ 4.33Å; L566-F755 HydrophobicContact CD1-CZ 3.98Å |
| 567 | K | 82.5 | Confident | 82.6 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.4 | -31.1 | 173.3 | -73.8 | 178.4 | -178.4 | -175.3 | 0 | 113.5 | N563 E564 K565 G569 Y641 T754 F755 | N563-K567 WeakPolarHBondContact O-CG 3.43Å; N563-K567 PolarHBondContact O-N 2.84Å; E564-K567 PolarHBondContact O-N 3.3Å; K565-K567 PolarHBondContact O-N 2.93Å; K567-G569 VanDerWaalsContact C-N 3.34Å; K567-Y641 HydrophobicContact CB-CE1 3.92Å; K567-Y641 HydrophobicContact CD-CE2 4.36Å; K567-Y641 HydrophobicContact CG-CE1 4.02Å; K567-Y641 HydrophobicContact CG-CE2 4.18Å; K567-Y641 WeakPolarHBondContact O-CE1 3.39Å; K567-T754 PolarHBondContact NZ-O 2.88Å; K567-F755 HydrophobicContact CG-CD1 4.03Å; K567-F755 HydrophobicContact CG-CE1 4.29Å |
| 568 | Q | 76.2 | Confident | 81.8 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 47% | 0.467 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.3 | -22.8 | 179.6 | -73.4 | 177.4 | 29.7 | 0 | 0 | 113.7 | E564 K565 | E564-Q568 WeakPolarHBondContact O-CG 3.37Å; E564-Q568 PolarHBondContact O-N 3Å; K565-Q568 PolarHBondContact O-N 3.02Å |
| 569 | G | 75.9 | Confident | 81 | Confident | 40 Ų | 40 | 70 Ų | 70 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | trans | 154.2 | 153.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K565 K567 | K565-G569 PolarHBondContact O-N 3.45Å; K567-G569 VanDerWaalsContact C-N 3.34Å | ||
| 570 | I | 80.3 | Confident | 80.2 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 9% | 0.087 | 38% | 0.38 | C | S | . | . | trans | -114.3 | 128.9 | -178.9 | -56.1 | 169 | 0 | 0 | 0 | 109.1 | L543 V572 V585 W588 F589 L638 H642 | L543-I570 HydrophobicContact CD1-CG2 4.15Å; I570-V572 HydrophobicContact CG2-CG2 3.88Å; I570-V585 HydrophobicContact CB-CG1 4.34Å; I570-V585 HydrophobicContact CG2-CG1 4.24Å; I570-V585 WeakPolarHBondContact O-CG2 3.22Å; I570-W588 HydrophobicContact CG2-CZ3 4.13Å; I570-F589 HydrophobicContact CD1-CE2 3.92Å; I570-F589 HydrophobicContact CD1-CZ 3.7Å; I570-L638 HydrophobicContact CD1-CD1 3.99Å; I570-L638 HydrophobicContact CD1-CD2 3.51Å; I570-L638 HydrophobicContact CD1-CG 3.61Å; I570-L638 HydrophobicContact CG1-CD2 4.38Å; I570-H642 WeakPolarHBondContact CD1-CD2 3.44Å | ||
| 571 | A | 82.5 | Confident | 79.4 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | V537 I542 L543 | V537-A571 HydrophobicContact CG1-CB 3.75Å; I542-A571 HydrophobicContact CG1-CB 4.38Å; L543-A571 PolarHBondContact N-O 3.34Å |
| 572 | V | 83.8 | Confident | 78.8 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.012 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 140.8 | 179.1 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | L543 I545 I570 V584 V585 W588 | L543-V572 HydrophobicContact CB-CG2 4.46Å; I545-V572 HydrophobicContact CD1-CG1 3.65Å; I545-V572 HydrophobicContact CD1-CG2 4.39Å; I545-V572 HydrophobicContact CG1-CG1 4.18Å; I570-V572 HydrophobicContact CG2-CG2 3.88Å; V572-V584 HydrophobicContact CB-CG1 4.31Å; V572-V584 HydrophobicContact CG1-CG1 4.28Å; V572-V585 HydrophobicContact CG2-CG2 4.35Å; V572-W588 HydrophobicContact CG1-CB 4.16Å; V572-W588 HydrophobicContact CG1-CG 4.09Å; V572-W588 HydrophobicContact CG2-CB 4.24Å; V572-W588 HydrophobicContact CG2-CD2 3.78Å; V572-W588 HydrophobicContact CG2-CE3 3.82Å; V572-W588 HydrophobicContact CG2-CG 3.99Å; V572-W588 HydrophobicContact CG2-CZ3 4.43Å |
| 573 | R | 86.4 | Confident | 78.3 | Confident | 65 Ų | 65 | 67 Ų | 67 | 25% | 0.245 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 127.3 | 168.5 | -171.3 | -172.2 | -70.1 | 157.5 | -3.8 | 109.3 | I542 L543 L544 I545 M580 | I542-R573 HydrophobicContact CG2-CB 3.62Å; L543-R573 PolarHBondContact O-N 3.29Å; L544-R573 WeakPolarHBondContact CA-O 3.14Å; L544-R573 HydrophobicContact CD2-CB 4.3Å; L544-R573 HydrophobicContact CD2-CG 4.45Å; I545-R573 PolarHBondContact N-O 3.08Å; R573-M580 HydrophobicContact CB-CE 4.03Å; R573-M580 HydrophobicContact CG-CE 4.45Å; R573-M580 PolarHBondContact NE-SD 2.73Å; R573-M580 VanDerWaalsContact NE-SD 3.41Å; R573-M580 PolarHBondContact NH2-SD 3.33Å |
| 574 | F | 87.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 0% | 0.004 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 139.3 | 172.1 | -66.6 | -65.5 | 0 | 0 | 0 | 110.7 | I545 R547 I550 G576 E577 V584 W588 I591 | I545-F574 HydrophobicContact CB-CD1 4.22Å; I545-F574 HydrophobicContact CB-CE1 4.38Å; I545-F574 HydrophobicContact CG2-CD1 4.41Å; I545-F574 HydrophobicContact CG2-CE1 4.28Å; I545-F574 CarbonylContact O-C 3.52Å; I545-F574 WeakPolarHBondContact O-CA 3.44Å; R547-F574 HydrophobicContact CG-CB 4.3Å; R547-F574 HydrophobicContact CG-CD1 3.81Å; R547-F574 HydrophobicContact CG-CE1 4.37Å; R547-F574 HydrophobicContact CG-CG 4.09Å; I550-F574 HydrophobicContact CD1-CE1 4.4Å; F574-G576 PolarHBondContact O-N 3.12Å; F574-E577 HydrophobicContact CB-CB 4.28Å; F574-E577 HydrophobicContact CB-CG 4.29Å; F574-E577 PolarHBondContact O-N 2.68Å; F574-E577 VanDerWaalsContact O-N 3.1Å; F574-V584 HydrophobicContact CD2-CG1 3.86Å; F574-V584 HydrophobicContact CE2-CG1 3.69Å; F574-W588 HydrophobicContact CZ-CB 4.29Å; F574-I591 HydrophobicContact CZ-CD1 4.34Å |
| 575 | H | 85 | Confident | 78.5 | Confident | 118 Ų | 118 | 57.8 Ų | 57.8 | 55% | 0.546 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 122.1 | -177.8 | -175.1 | -73.2 | 0 | 0 | 0 | 111 | I545 H546 | I545-H575 PolarHBondContact O-N 2.87Å; H546-H575 AromaticContact CE1-CD2 3.26Å; H546-H575 PolarHBondContact CE1-CD2 3.33Å; H546-H575 AromaticContact CE1-CG 3.44Å; H546-H575 VanDerWaalsContact CE1-CG 3.44Å; H546-H575 AromaticContact CE1-NE2 3.87Å; H546-H575 AromaticContact ND1-CD2 3.99Å; H546-H575 AromaticContact ND1-CG 3.7Å; H546-H575 AromaticContact NE2-CD2 3.83Å |
| 576 | G | 79.3 | Confident | 78.6 | Confident | 80 Ų | 80 | 60.3 Ų | 60.3 | 83% | 0.825 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 3.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | F574 | F574-G576 PolarHBondContact O-N 3.12Š|
| 577 | E | 84.3 | Confident | 78.8 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 35% | 0.346 | 36% | 0.356 | S | S | . | . | trans | -111.5 | 139.4 | 177 | -66.4 | 175.9 | -157.4 | 0 | 0 | 111.2 | R547 F574 G579 | R547-E577 WeakPolarHBondContact CD-OE1 3.37Å; R547-E577 IonicContact CZ-OE1 3.2Å; R547-E577 IonicContact CZ-OE2 2.95Å; R547-E577 IonicContact NE-OE1 3.39Å; R547-E577 PolarHBondContact NE-OE1 2.83Å; R547-E577 IonicContact NE-OE2 3.89Å; R547-E577 IonicContact NH2-OE1 2.71Å; R547-E577 PolarHBondContact NH2-OE1 3.42Å; R547-E577 IonicContact NH2-OE2 3.94Å; R547-E577 PolarHBondContact NH2-OE2 3.24Å; R547-E577 VanDerWaalsContact NH2-OE2 3.08Å; F574-E577 HydrophobicContact CB-CB 4.28Å; F574-E577 HydrophobicContact CB-CG 4.29Å; F574-E577 PolarHBondContact O-N 2.68Å; F574-E577 VanDerWaalsContact O-N 3.1Å; E577-G579 VanDerWaalsContact C-N 3.34Å | ||
| 578 | E | 70.1 | Confident | 79.1 | Confident | 196 Ų | 196 | 60.3 Ų | 60.3 | 92% | 0.916 | 34% | 0.343 | S | S | * | . | trans | -86.1 | -7.1 | 176.6 | -65.7 | -171.3 | 164.3 | 0 | 0 | 113 | M580 | E578-M580 PolarHBondContact O-N 3.18Š| ||
| 579 | G | 68.3 | Low | 79.7 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 40% | 0.402 | 32% | 0.321 | S | S | . | . | trans | -68.2 | 128.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E577 | E577-G579 VanDerWaalsContact C-N 3.34Š| ||
| 580 | M | 67.4 | Low | 80.2 | Confident | 87 Ų | 87 | 57.2 Ų | 57.2 | 43% | 0.429 | 32% | 0.32 | S | S | . | . | trans | -140.3 | 148.4 | 173.9 | -54.7 | -163.6 | 87.7 | 0 | 0 | 110.9 | I542 R573 E578 | I542-M580 HydrophobicContact CB-CE 4.46Å; I542-M580 HydrophobicContact CD1-CE 3.43Å; I542-M580 VanDerWaalsContact CD1-CE 3.43Å; I542-M580 HydrophobicContact CD1-SD 4.45Å; I542-M580 HydrophobicContact CG1-CE 3.85Å; I542-M580 HydrophobicContact CG2-CE 3.75Å; R573-M580 HydrophobicContact CB-CE 4.03Å; R573-M580 HydrophobicContact CG-CE 4.45Å; R573-M580 PolarHBondContact NE-SD 2.73Å; R573-M580 VanDerWaalsContact NE-SD 3.41Å; R573-M580 PolarHBondContact NH2-SD 3.33Å; E578-M580 PolarHBondContact O-N 3.18Å | ||
| 581 | G | 68.4 | Low | 80.7 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 42% | 0.423 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 135.9 | -175.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G583 V584 V585 | G581-G583 PolarHBondContact O-N 3.04Å; G581-V584 PolarHBondContact O-N 3.24Å; G581-V585 PolarHBondContact O-N 3.01Å |
| 582 | Q | 68.9 | Low | 81.1 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 45% | 0.453 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.5 | -22.8 | -175.9 | -67.4 | -62.8 | -21.9 | 0 | 0 | 114 | R586 | Q582-R586 WeakPolarHBondContact O-CG 3.38Å; Q582-R586 PolarHBondContact O-N 2.89Å; Q582-R586 VanDerWaalsContact O-N 3.16Å; Q582-R586 PolarHBondContact O-NE 3.46Å |
| 583 | G | 73.8 | Confident | 81.4 | Confident | 41 Ų | 41 | 57.2 Ų | 57.2 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G581 R586 E587 | G581-G583 PolarHBondContact O-N 3.04Å; G583-R586 PolarHBondContact O-N 3.21Å; G583-E587 WeakPolarHBondContact O-CB 3.26Å; G583-E587 PolarHBondContact O-N 3.04Å |
| 584 | V | 82.5 | Confident | 81.5 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 12% | 0.121 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.7 | -36.3 | 179.9 | -176 | 0 | 0 | 0 | 0 | 111.1 | V572 F574 G581 E587 W588 | V572-V584 HydrophobicContact CB-CG1 4.31Å; V572-V584 HydrophobicContact CG1-CG1 4.28Å; F574-V584 HydrophobicContact CD2-CG1 3.86Å; F574-V584 HydrophobicContact CE2-CG1 3.69Å; G581-V584 PolarHBondContact O-N 3.24Å; V584-E587 PolarHBondContact O-N 3.5Å; V584-W588 WeakPolarHBondContact O-CB 3.29Å; V584-W588 PolarHBondContact O-N 3.46Å |
| 585 | V | 82.9 | Confident | 81.7 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.03 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 174.9 | 178.2 | 0 | 0 | 0 | 0 | 111 | I570 V572 G581 W588 F589 | I570-V585 HydrophobicContact CB-CG1 4.34Å; I570-V585 HydrophobicContact CG2-CG1 4.24Å; I570-V585 WeakPolarHBondContact O-CG2 3.22Å; V572-V585 HydrophobicContact CG2-CG2 4.35Å; G581-V585 PolarHBondContact O-N 3.01Å; V585-W588 PolarHBondContact O-N 2.99Å; V585-F589 HydrophobicContact CG1-CD2 3.95Å; V585-F589 HydrophobicContact CG1-CE2 3.79Å; V585-F589 VanDerWaalsContact O-CD2 3.3Å; V585-F589 WeakPolarHBondContact O-CD2 3.35Å; V585-F589 PolarHBondContact O-N 2.84Å; V585-F589 VanDerWaalsContact O-N 3.08Å |
| 586 | R | 82.3 | Confident | 82 | Confident | 154 Ų | 154 | 54.4 Ų | 54.4 | 58% | 0.581 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.3 | -47.8 | 173.6 | -82.4 | -175.9 | -69.3 | 158.8 | -3.5 | 112.2 | Q582 G583 W588 F589 D590 | Q582-R586 WeakPolarHBondContact O-CG 3.38Å; Q582-R586 PolarHBondContact O-N 2.89Å; Q582-R586 VanDerWaalsContact O-N 3.16Å; Q582-R586 PolarHBondContact O-NE 3.46Å; G583-R586 PolarHBondContact O-N 3.21Å; R586-W588 VanDerWaalsContact C-N 3.29Å; R586-W588 PolarHBondContact O-N 3.49Å; R586-F589 PolarHBondContact O-N 2.94Å; R586-D590 PolarHBondContact O-N 2.86Å |
| 587 | E | 86.3 | Confident | 82.5 | Confident | 71 Ų | 71 | 51.5 Ų | 51.5 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 175.7 | -175.8 | -172.8 | 169.9 | 0 | 0 | 111.3 | R547 G583 V584 F589 D590 I591 | R547-E587 IonicContact CZ-OE1 3.39Å; R547-E587 VanDerWaalsContact CZ-OE1 3.26Å; R547-E587 IonicContact NH1-OE1 2.69Å; R547-E587 PolarHBondContact NH1-OE1 3.37Å; R547-E587 IonicContact NH2-OE1 3.89Å; R547-E587 PolarHBondContact NH2-OE1 2.9Å; R547-E587 IonicContact NH2-OE2 2.97Å; G583-E587 WeakPolarHBondContact O-CB 3.26Å; G583-E587 PolarHBondContact O-N 3.04Å; V584-E587 PolarHBondContact O-N 3.5Å; E587-F589 PolarHBondContact O-N 2.72Å; E587-D590 PolarHBondContact O-N 3.43Å; E587-I591 HydrophobicContact CG-CD1 3.76Å; E587-I591 HydrophobicContact CG-CG1 4.35Å; E587-I591 VanDerWaalsContact O-CG1 3.3Å; E587-I591 WeakPolarHBondContact O-CG1 3.33Å; E587-I591 PolarHBondContact O-N 2.94Å |
| 588 | W | 89.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 178.5 | 175.4 | 63.7 | 0 | 0 | 0 | 112.9 | L543 I545 S554 V558 I570 V572 F574 V584 V585 R586 L592 I635 | L543-W588 HydrophobicContact CD1-CH2 4.35Å; I545-W588 HydrophobicContact CD1-CD2 4.28Å; I545-W588 HydrophobicContact CD1-CG 4.22Å; I545-W588 HydrophobicContact CD1-CZ2 4.08Å; S554-W588 PolarHBondContact OG-NE1 3.01Å; V558-W588 HydrophobicContact CG2-CH2 4.19Å; V558-W588 HydrophobicContact CG2-CZ2 4.22Å; I570-W588 HydrophobicContact CG2-CZ3 4.13Å; V572-W588 HydrophobicContact CG1-CB 4.16Å; V572-W588 HydrophobicContact CG1-CG 4.09Å; V572-W588 HydrophobicContact CG2-CB 4.24Å; V572-W588 HydrophobicContact CG2-CD2 3.78Å; V572-W588 HydrophobicContact CG2-CE3 3.82Å; V572-W588 HydrophobicContact CG2-CG 3.99Å; V572-W588 HydrophobicContact CG2-CZ3 4.43Å; F574-W588 HydrophobicContact CZ-CB 4.29Å; V584-W588 WeakPolarHBondContact O-CB 3.29Å; V584-W588 PolarHBondContact O-N 3.46Å; V585-W588 PolarHBondContact O-N 2.99Å; R586-W588 VanDerWaalsContact C-N 3.29Å; R586-W588 PolarHBondContact O-N 3.49Å; W588-L592 HydrophobicContact CD2-CD1 3.88Å; W588-L592 HydrophobicContact CE3-CD1 4.48Å; W588-L592 HydrophobicContact CG-CD1 4.38Å; W588-L592 HydrophobicContact CH2-CD1 4.09Å; W588-L592 HydrophobicContact CZ2-CD1 3.4Å; W588-L592 VanDerWaalsContact CZ2-CD1 3.4Å; W588-L592 VanDerWaalsContact NE1-CD1 3.32Å; W588-L592 WeakPolarHBondContact O-CB 3.42Å; W588-L592 WeakPolarHBondContact O-CG 3.42Å; W588-L592 PolarHBondContact O-N 3.38Å; W588-I635 HydrophobicContact CH2-CD1 3.77Å; W588-I635 HydrophobicContact CZ2-CD1 4.07Å |
| 589 | F | 89.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 174.9 | -82.6 | -67.4 | 0 | 0 | 0 | 112.6 | I570 V585 R586 E587 S593 I635 L638 A639 Q644 | I570-F589 HydrophobicContact CD1-CE2 3.92Å; I570-F589 HydrophobicContact CD1-CZ 3.7Å; V585-F589 HydrophobicContact CG1-CD2 3.95Å; V585-F589 HydrophobicContact CG1-CE2 3.79Å; V585-F589 VanDerWaalsContact O-CD2 3.3Å; V585-F589 WeakPolarHBondContact O-CD2 3.35Å; V585-F589 PolarHBondContact O-N 2.84Å; V585-F589 VanDerWaalsContact O-N 3.08Å; R586-F589 PolarHBondContact O-N 2.94Å; E587-F589 PolarHBondContact O-N 2.72Å; F589-S593 WeakPolarHBondContact O-CB 3.24Å; F589-S593 PolarHBondContact O-N 3.28Å; F589-S593 PolarHBondContact O-OG 3.26Å; F589-I635 HydrophobicContact CD1-CG2 4.1Å; F589-I635 HydrophobicContact CE1-CG2 4.17Å; F589-L638 HydrophobicContact CZ-CD2 4.27Å; F589-L638 HydrophobicContact CZ-CG 4.19Å; F589-A639 HydrophobicContact CD1-CB 3.82Å; F589-A639 HydrophobicContact CE1-CB 3.67Å; F589-A639 HydrophobicContact CZ-CB 4.31Å; F589-Q644 HydrophobicContact CD2-CB 3.99Å; F589-Q644 HydrophobicContact CD2-CG 3.82Å; F589-Q644 HydrophobicContact CE2-CB 4.23Å; F589-Q644 HydrophobicContact CE2-CG 3.79Å; F589-Q644 HydrophobicContact CG-CB 4.38Å |
| 590 | D | 86.4 | Confident | 84.2 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 40% | 0.401 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68 | -43 | 179 | -171.6 | 45 | 0 | 0 | 0 | 111.9 | R586 E587 S593 N594 | R586-D590 PolarHBondContact O-N 2.86Å; E587-D590 PolarHBondContact O-N 3.43Å; D590-S593 WeakPolarHBondContact O-CB 3.37Å; D590-S593 PolarHBondContact O-N 2.92Å; D590-N594 PolarHBondContact O-N 3.25Å; D590-N594 PolarHBondContact O-ND2 3.06Å |
| 591 | I | 89.7 | Confident | 85 | Confident | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.185 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 175.2 | -61.4 | 165.7 | 0 | 0 | 0 | 110.4 | I550 F574 E587 S593 N594 E595 | I550-I591 HydrophobicContact CD1-CB 4.45Å; I550-I591 HydrophobicContact CD1-CD1 4.14Å; I550-I591 HydrophobicContact CD1-CG2 3.56Å; I550-I591 HydrophobicContact CG2-CG2 4.16Å; F574-I591 HydrophobicContact CZ-CD1 4.34Å; E587-I591 HydrophobicContact CG-CD1 3.76Å; E587-I591 HydrophobicContact CG-CG1 4.35Å; E587-I591 VanDerWaalsContact O-CG1 3.3Å; E587-I591 WeakPolarHBondContact O-CG1 3.33Å; E587-I591 PolarHBondContact O-N 2.94Å; I591-S593 PolarHBondContact O-N 3.24Å; I591-N594 PolarHBondContact O-N 3.46Å; I591-N594 VanDerWaalsContact O-N 3.12Å; I591-E595 HydrophobicContact CG2-CG 4.27Å; I591-E595 PolarHBondContact O-N 3.01Å |
| 592 | L | 90.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.2 | -34.2 | 176.8 | -81.6 | -179.9 | 0 | 0 | 0 | 112.6 | I550 F551 W588 N594 E595 I596 F631 I635 | I550-L592 HydrophobicContact CG2-CD2 3.78Å; I550-L592 HydrophobicContact CG2-CG 4.18Å; F551-L592 HydrophobicContact CD2-CD2 4.32Å; W588-L592 HydrophobicContact CD2-CD1 3.88Å; W588-L592 HydrophobicContact CE3-CD1 4.48Å; W588-L592 HydrophobicContact CG-CD1 4.38Å; W588-L592 HydrophobicContact CH2-CD1 4.09Å; W588-L592 HydrophobicContact CZ2-CD1 3.4Å; W588-L592 VanDerWaalsContact CZ2-CD1 3.4Å; W588-L592 VanDerWaalsContact NE1-CD1 3.32Å; W588-L592 WeakPolarHBondContact O-CB 3.42Å; W588-L592 WeakPolarHBondContact O-CG 3.42Å; W588-L592 PolarHBondContact O-N 3.38Å; L592-N594 VanDerWaalsContact C-N 3.27Å; L592-N594 PolarHBondContact O-N 3.44Å; L592-E595 PolarHBondContact O-N 3.11Å; L592-I596 VanDerWaalsContact O-CG1 3.24Å; L592-I596 WeakPolarHBondContact O-CG1 3.32Å; L592-I596 PolarHBondContact O-N 3.09Å; L592-F631 HydrophobicContact CD1-CZ 4.49Å; L592-F631 HydrophobicContact CD2-CE1 4.42Å; L592-F631 HydrophobicContact CD2-CZ 4.44Å; L592-I635 HydrophobicContact CB-CG2 4.49Å; L592-I635 HydrophobicContact CD1-CD1 3.82Å; L592-I635 HydrophobicContact CD1-CG1 4.18Å; L592-I635 HydrophobicContact CD1-CG2 4.23Å |
| 593 | S | 90.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58 | -43.3 | 176.4 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | F589 D590 I591 I648 | F589-S593 WeakPolarHBondContact O-CB 3.24Å; F589-S593 PolarHBondContact O-N 3.28Å; F589-S593 PolarHBondContact O-OG 3.26Å; D590-S593 WeakPolarHBondContact O-CB 3.37Å; D590-S593 PolarHBondContact O-N 2.92Å; I591-S593 PolarHBondContact O-N 3.24Å; S593-I648 VanDerWaalsContact CB-CG1 3.48Å; S593-I648 WeakPolarHBondContact O-CD1 3.39Å; S593-I648 WeakPolarHBondContact O-CG1 3.33Å |
| 594 | N | 89 | Confident | 87.8 | Confident | 75 Ų | 75 | 40.8 Ų | 40.8 | 40% | 0.401 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -73.2 | -35.7 | 176.4 | -65.8 | -60.4 | 0 | 0 | 0 | 112.7 | D590 I591 L592 I597 N598 | D590-N594 PolarHBondContact O-N 3.25Å; D590-N594 PolarHBondContact O-ND2 3.06Å; I591-N594 PolarHBondContact O-N 3.46Å; I591-N594 VanDerWaalsContact O-N 3.12Å; L592-N594 VanDerWaalsContact C-N 3.27Å; L592-N594 PolarHBondContact O-N 3.44Å; N594-I597 VanDerWaalsContact O-CG1 3.26Å; N594-I597 WeakPolarHBondContact O-CG1 3.5Å; N594-I597 PolarHBondContact O-N 3.16Å; N594-N598 PolarHBondContact O-N 3.44Å |
| 595 | E | 90.8 | Very high | 88.1 | Confident | 49 Ų | 49 | 42.2 Ų | 42.2 | 23% | 0.229 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.4 | -33.8 | 178.1 | -70.3 | -59.4 | 153 | 0 | 0 | 113.1 | F551 I591 L592 I597 N598 Y601 | F551-E595 HydrophobicContact CB-CB 4.11Å; F551-E595 HydrophobicContact CD2-CB 3.87Å; F551-E595 HydrophobicContact CG-CB 4.36Å; I591-E595 HydrophobicContact CG2-CG 4.27Å; I591-E595 PolarHBondContact O-N 3.01Å; L592-E595 PolarHBondContact O-N 3.11Å; E595-I597 PolarHBondContact O-N 3.46Å; E595-N598 WeakPolarHBondContact O-CB 3.45Å; E595-N598 PolarHBondContact O-N 2.91Å; E595-N598 VanDerWaalsContact O-N 3.14Å; E595-N598 PolarHBondContact OE2-ND2 3.33Å; E595-Y601 WeakPolarHBondContact O-CD2 3.47Å; E595-Y601 WeakPolarHBondContact OE2-CE2 3.31Å |
| 596 | I | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -38.2 | 177.3 | -74.5 | 164.1 | 0 | 0 | 0 | 111.3 | F551 L592 F604 A632 I635 L636 I648 | F551-I596 HydrophobicContact CE2-CG1 3.82Å; L592-I596 VanDerWaalsContact O-CG1 3.24Å; L592-I596 WeakPolarHBondContact O-CG1 3.32Å; L592-I596 PolarHBondContact O-N 3.09Å; I596-F604 HydrophobicContact CG2-CD2 3.93Å; I596-F604 HydrophobicContact CG2-CE2 3.61Å; I596-F604 HydrophobicContact CG2-CZ 4.49Å; I596-F604 WeakPolarHBondContact O-CD2 3.42Å; I596-A632 HydrophobicContact CD1-CB 4.26Å; I596-A632 HydrophobicContact CG1-CB 4.2Å; I596-A632 HydrophobicContact CG2-CB 3.92Å; I596-I635 HydrophobicContact CD1-CB 4.34Å; I596-I635 HydrophobicContact CD1-CG2 4.09Å; I596-L636 HydrophobicContact CD1-CD1 3.77Å; I596-I648 HydrophobicContact CB-CD1 4.24Å; I596-I648 HydrophobicContact CD1-CD1 4.11Å; I596-I648 HydrophobicContact CG2-CD1 4.3Å |
| 597 | I | 90.8 | Very high | 88.4 | Confident | 20 Ų | 20 | 40.8 Ų | 40.8 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 6.9 | -180 | 60.4 | 176.3 | 0 | 0 | 0 | 113.3 | N594 E595 P599 F604 F613 I648 | N594-I597 VanDerWaalsContact O-CG1 3.26Å; N594-I597 WeakPolarHBondContact O-CG1 3.5Å; N594-I597 PolarHBondContact O-N 3.16Å; E595-I597 PolarHBondContact O-N 3.46Å; I597-P599 WeakPolarHBondContact O-CD 3.21Å; I597-F604 HydrophobicContact CG2-CB 4.42Å; I597-F613 HydrophobicContact CB-CD1 3.9Å; I597-F613 HydrophobicContact CB-CE1 3.92Å; I597-F613 HydrophobicContact CB-CG 4.22Å; I597-F613 HydrophobicContact CB-CZ 4.27Å; I597-F613 HydrophobicContact CD1-CD2 4.18Å; I597-F613 HydrophobicContact CD1-CE1 4.19Å; I597-F613 HydrophobicContact CD1-CE2 3.63Å; I597-F613 HydrophobicContact CD1-CZ 3.65Å; I597-F613 HydrophobicContact CG1-CE1 4.46Å; I597-F613 HydrophobicContact CG1-CZ 4.38Å; I597-F613 HydrophobicContact CG2-CB 4.2Å; I597-F613 HydrophobicContact CG2-CD1 4.01Å; I597-F613 HydrophobicContact CG2-CD2 4.13Å; I597-F613 HydrophobicContact CG2-CE1 4.45Å; I597-F613 HydrophobicContact CG2-CG 3.84Å; I597-I648 HydrophobicContact CG2-CG2 3.65Å |
| 598 | N | 88.4 | Confident | 87.8 | Confident | 39 Ų | 39 | 38.9 Ų | 38.9 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | trans | -64.7 | 122.8 | -179.6 | -177 | -15.1 | 0 | 0 | 0 | 110.1 | N594 E595 D600 Y601 | N594-N598 PolarHBondContact O-N 3.44Å; E595-N598 WeakPolarHBondContact O-CB 3.45Å; E595-N598 PolarHBondContact O-N 2.91Å; E595-N598 VanDerWaalsContact O-N 3.14Å; E595-N598 PolarHBondContact OE2-ND2 3.33Å; N598-D600 PolarHBondContact O-N 3.17Å; N598-D600 VanDerWaalsContact O-N 3.08Å; N598-D600 WeakPolarHBondContact OD1-CB 3.42Å; N598-D600 PolarHBondContact OD1-N 3.1Å; N598-Y601 HydrophobicContact CB-CD2 3.9Å; N598-Y601 HydrophobicContact CB-CE2 4.19Å; N598-Y601 PolarHBondContact O-N 3.17Å; N598-Y601 VanDerWaalsContact O-N 3.14Å | ||
| 599 | P | 84.7 | Confident | 86.8 | Confident | 104 Ų | 104 | 39.1 Ų | 39.1 | 68% | 0.675 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -54.9 | -28.2 | -179.7 | -27.3 | 35.4 | 0 | 0 | 0 | 114.1 | I597 Y601 A602 | I597-P599 WeakPolarHBondContact O-CD 3.21Å; P599-Y601 PolarHBondContact O-N 3.3Å; P599-A602 PolarHBondContact O-N 3.28Å |
| 600 | D | 84.1 | Confident | 86.1 | Confident | 143 Ų | 143 | 39.8 Ų | 39.8 | 77% | 0.765 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -63.7 | -26.3 | -178.5 | -70.6 | -16.4 | 0 | 0 | 0 | 113.2 | N598 | N598-D600 PolarHBondContact O-N 3.17Å; N598-D600 VanDerWaalsContact O-N 3.08Å; N598-D600 WeakPolarHBondContact OD1-CB 3.42Å; N598-D600 PolarHBondContact OD1-N 3.1Å |
| 601 | Y | 85.6 | Confident | 85.6 | Confident | 36 Ų | 36 | 37.2 Ų | 37.2 | 14% | 0.141 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -86.6 | -10.4 | 175.9 | -62.7 | -58.6 | 0 | 0 | 0 | 113.4 | F551 E595 N598 P599 L603 N622 | F551-Y601 HydrophobicContact CB-CE2 3.8Å; F551-Y601 WeakPolarHBondContact CB-OH 3.16Å; F551-Y601 HydrophobicContact CD1-CD1 4.2Å; F551-Y601 HydrophobicContact CD1-CD2 4.07Å; F551-Y601 AromaticContact CD1-CE1 3.93Å; F551-Y601 HydrophobicContact CD1-CE1 3.93Å; F551-Y601 AromaticContact CD1-CE2 3.78Å; F551-Y601 HydrophobicContact CD1-CE2 3.78Å; F551-Y601 HydrophobicContact CD1-CG 4.29Å; F551-Y601 AromaticContact CD1-CZ 3.73Å; F551-Y601 HydrophobicContact CD2-CE2 4.41Å; F551-Y601 HydrophobicContact CE1-CD1 4.44Å; F551-Y601 HydrophobicContact CE1-CD2 4.33Å; F551-Y601 HydrophobicContact CE1-CE2 4.48Å; F551-Y601 HydrophobicContact CE1-CG 4.32Å; F551-Y601 HydrophobicContact CG-CD2 4.29Å; F551-Y601 AromaticContact CG-CE2 3.74Å; F551-Y601 HydrophobicContact CG-CE2 3.74Å; F551-Y601 AromaticContact CG-CZ 3.92Å; E595-Y601 WeakPolarHBondContact O-CD2 3.47Å; E595-Y601 WeakPolarHBondContact OE2-CE2 3.31Å; N598-Y601 HydrophobicContact CB-CD2 3.9Å; N598-Y601 HydrophobicContact CB-CE2 4.19Å; N598-Y601 PolarHBondContact O-N 3.17Å; N598-Y601 VanDerWaalsContact O-N 3.14Å; P599-Y601 PolarHBondContact O-N 3.3Å; Y601-L603 PolarHBondContact O-N 3.01Å; Y601-L603 VanDerWaalsContact O-N 3.1Å; Y601-N622 PolarHBondContact O-ND2 3.37Å |
| 602 | A | 87.6 | Confident | 85.5 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 19% | 0.19 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 23.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P599 N616 S619 | P599-A602 PolarHBondContact O-N 3.28Å; A602-N616 VanDerWaalsContact O-CB 3.28Å; A602-N616 WeakPolarHBondContact O-CB 3.4Å; A602-N616 PolarHBondContact O-ND2 3.15Å; A602-S619 WeakPolarHBondContact O-CA 3.43Å; A602-S619 WeakPolarHBondContact O-CB 3.18Å |
| 603 | L | 89.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -79.1 | -52.3 | -178.6 | -59 | 175.8 | 0 | 0 | 0 | 111.5 | F551 Y601 N616 H625 Y628 F629 | F551-L603 HydrophobicContact CE1-CD1 4.18Å; F551-L603 HydrophobicContact CZ-CD1 3.72Å; Y601-L603 PolarHBondContact O-N 3.01Å; Y601-L603 VanDerWaalsContact O-N 3.1Å; L603-N616 VanDerWaalsContact O-CB 3.26Å; L603-N616 WeakPolarHBondContact O-CB 3.4Å; L603-N616 PolarHBondContact O-N 3.41Å; L603-H625 HydrophobicContact CD2-CB 4.05Å; L603-Y628 HydrophobicContact CD1-CG 4.48Å; L603-Y628 HydrophobicContact CD2-CD2 4.48Å; L603-F629 HydrophobicContact CB-CZ 4.28Å; L603-F629 HydrophobicContact CD2-CD2 4.28Å; L603-F629 HydrophobicContact CD2-CE2 4.13Å; L603-F629 WeakPolarHBondContact O-CZ 3.3Å |
| 604 | F | 92 | Very high | 85.5 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 2% | 0.022 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 149.8 | 179.5 | -65.8 | -93.8 | 0 | 0 | 0 | 110.4 | I596 I597 F613 Q614 P615 F629 A632 F650 F654 F748 | I596-F604 HydrophobicContact CG2-CD2 3.93Å; I596-F604 HydrophobicContact CG2-CE2 3.61Å; I596-F604 HydrophobicContact CG2-CZ 4.49Å; I596-F604 WeakPolarHBondContact O-CD2 3.42Å; I597-F604 HydrophobicContact CG2-CB 4.42Å; F604-F613 HydrophobicContact CB-CB 4.35Å; F604-Q614 CarbonylContact C-O 3.42Å; F604-Q614 WeakPolarHBondContact CA-O 3.49Å; F604-P615 HydrophobicContact CD1-CG 4.45Å; F604-P615 HydrophobicContact CE1-CG 4.1Å; F604-F629 HydrophobicContact CD2-CE1 4.42Å; F604-F629 HydrophobicContact CE1-CE1 4.06Å; F604-F629 HydrophobicContact CE2-CD1 4.18Å; F604-F629 AromaticContact CE2-CE1 3.85Å; F604-F629 HydrophobicContact CE2-CE1 3.85Å; F604-F629 AromaticContact CZ-CD1 3.97Å; F604-F629 HydrophobicContact CZ-CD1 3.97Å; F604-F629 AromaticContact CZ-CE1 3.65Å; F604-F629 HydrophobicContact CZ-CE1 3.65Å; F604-A632 HydrophobicContact CE2-CB 4.49Å; F604-F650 HydrophobicContact CD1-CD1 4.28Å; F604-F650 AromaticContact CD1-CE1 3.98Å; F604-F650 HydrophobicContact CD1-CE1 3.98Å; F604-F650 HydrophobicContact CE1-CD1 4.07Å; F604-F650 AromaticContact CE1-CE1 3.59Å; F604-F650 HydrophobicContact CE1-CE1 3.59Å; F604-F650 HydrophobicContact CZ-CE1 4.03Å; F604-F654 HydrophobicContact CE1-CE1 4.16Å; F604-F654 HydrophobicContact CE1-CZ 4.15Å; F604-F748 HydrophobicContact CZ-CD2 4.49Å |
| 605 | T | 89.5 | Confident | 85.7 | Confident | 50 Ų | 50 | 35 Ų | 35 | 31% | 0.307 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147.4 | 172.1 | 49 | 0 | 0 | 0 | 0 | 110 | F613 Q614 N616 | T605-F613 WeakPolarHBondContact O-CA 3.4Å; T605-Q614 PolarHBondContact N-O 2.8Å; T605-Q614 PolarHBondContact O-N 3.32Å; T605-N616 HydrophobicContact CG2-CB 3.84Å |
| 606 | Q | 87.4 | Confident | 85.6 | Confident | 118 Ų | 118 | 33.7 Ų | 33.7 | 55% | 0.551 | 19% | 0.192 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 137.9 | 175.3 | -167.9 | 174 | 27 | 0 | 0 | 109.6 | G610 F613 | Q606-G610 PolarHBondContact NE2-O 3.19Å; Q606-F613 HydrophobicContact CB-CD1 4.36Å; Q606-F613 HydrophobicContact CB-CE1 4.07Å; Q606-F613 HydrophobicContact CG-CE1 4.38Å |
| 607 | S | 83.5 | Confident | 85.2 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 8% | 0.077 | 21% | 0.212 | C | C | . | . | trans | -80.9 | 175.2 | -179.6 | 83.8 | 0 | 0 | 0 | 0 | 112 | D609 G610 T612 S670 | S607-D609 PolarHBondContact O-N 3.11Å; S607-D609 PolarHBondContact OG-N 3Å; S607-D609 PolarHBondContact OG-OD1 3.25Å; S607-D609 PolarHBondContact OG-OD2 3.29Å; S607-G610 PolarHBondContact O-N 2.95Å; S607-T612 WeakPolarHBondContact CB-O 3.4Å; S607-T612 WeakPolarHBondContact CB-OG1 3.42Å; S607-T612 PolarHBondContact N-O 3.43Å; S607-T612 PolarHBondContact OG-O 2.94Å; S607-T612 PolarHBondContact OG-OG1 2.91Å; S607-S670 WeakPolarHBondContact CB-O 3.24Å | ||
| 608 | A | 74.1 | Confident | 84.9 | Confident | 31 Ų | 31 | 38.1 Ų | 38.1 | 26% | 0.256 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -9.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G610 S670 P673 G840 | A608-G610 VanDerWaalsContact C-N 3.34Å; A608-S670 PolarHBondContact N-O 3.2Å; A608-P673 HydrophobicContact CB-CG 3.96Å; A608-G840 WeakPolarHBondContact O-CA 3.37Å |
| 609 | D | 68.6 | Low | 84.8 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -11.5 | 173.2 | 68.2 | 29.7 | 0 | 0 | 0 | 113.1 | S607 T611 T612 G839 | S607-D609 PolarHBondContact O-N 3.11Å; S607-D609 PolarHBondContact OG-N 3Å; S607-D609 PolarHBondContact OG-OD1 3.25Å; S607-D609 PolarHBondContact OG-OD2 3.29Å; D609-T611 PolarHBondContact O-N 3.45Å; D609-T611 PolarHBondContact OD1-N 3.47Å; D609-T611 PolarHBondContact OD1-OG1 3.07Å; D609-T612 PolarHBondContact OD1-N 3.41Å; D609-T612 PolarHBondContact OD1-OG1 2.86Å; D609-T612 VanDerWaalsContact OD1-OG1 3.05Å; D609-T612 WeakPolarHBondContact OD2-CG2 3.37Å; D609-T612 PolarHBondContact OD2-OG1 3.35Å; D609-G839 CarbonylContact O-C 3.59Å; D609-G839 VanDerWaalsContact O-C 3.27Å; D609-G839 WeakPolarHBondContact O-CA 3.38Å |
| 610 | G | 73.9 | Confident | 84.7 | Confident | 15 Ų | 15 | 34.1 Ų | 34.1 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 75.4 | 3.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | Q606 S607 A608 | Q606-G610 PolarHBondContact NE2-O 3.19Å; S607-G610 PolarHBondContact O-N 2.95Å; A608-G610 VanDerWaalsContact C-N 3.34Å |
| 611 | T | 76.7 | Confident | 84.6 | Confident | 20 Ų | 20 | 32.1 Ų | 32.1 | 12% | 0.123 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -126.7 | -25.4 | -177.7 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | D609 M838 | D609-T611 PolarHBondContact O-N 3.45Å; D609-T611 PolarHBondContact OD1-N 3.47Å; D609-T611 PolarHBondContact OD1-OG1 3.07Å; T611-M838 HydrophobicContact CG2-CB 3.83Å |
| 612 | T | 87.1 | Confident | 84.4 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | trans | -105.4 | 158.4 | -177.7 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | S607 D609 Y649 T651 | S607-T612 WeakPolarHBondContact CB-O 3.4Å; S607-T612 WeakPolarHBondContact CB-OG1 3.42Å; S607-T612 PolarHBondContact N-O 3.43Å; S607-T612 PolarHBondContact OG-O 2.94Å; S607-T612 PolarHBondContact OG-OG1 2.91Å; D609-T612 PolarHBondContact OD1-N 3.41Å; D609-T612 PolarHBondContact OD1-OG1 2.86Å; D609-T612 VanDerWaalsContact OD1-OG1 3.05Å; D609-T612 WeakPolarHBondContact OD2-CG2 3.37Å; D609-T612 PolarHBondContact OD2-OG1 3.35Å; T612-Y649 CarbonylContact C-O 3.52Å; T612-Y649 VanDerWaalsContact CA-O 3.3Å; T612-Y649 WeakPolarHBondContact CA-O 3.48Å; T612-T651 WeakPolarHBondContact OG1-CG2 3.46Å | ||
| 613 | F | 90.9 | Very high | 84.1 | Confident | 29 Ų | 29 | 36.3 Ų | 36.3 | 13% | 0.127 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.8 | -176.8 | -66.4 | -92.2 | 0 | 0 | 0 | 112.2 | I597 F604 T605 Q606 Y649 F650 T651 | I597-F613 HydrophobicContact CB-CD1 3.9Å; I597-F613 HydrophobicContact CB-CE1 3.92Å; I597-F613 HydrophobicContact CB-CG 4.22Å; I597-F613 HydrophobicContact CB-CZ 4.27Å; I597-F613 HydrophobicContact CD1-CD2 4.18Å; I597-F613 HydrophobicContact CD1-CE1 4.19Å; I597-F613 HydrophobicContact CD1-CE2 3.63Å; I597-F613 HydrophobicContact CD1-CZ 3.65Å; I597-F613 HydrophobicContact CG1-CE1 4.46Å; I597-F613 HydrophobicContact CG1-CZ 4.38Å; I597-F613 HydrophobicContact CG2-CB 4.2Å; I597-F613 HydrophobicContact CG2-CD1 4.01Å; I597-F613 HydrophobicContact CG2-CD2 4.13Å; I597-F613 HydrophobicContact CG2-CE1 4.45Å; I597-F613 HydrophobicContact CG2-CG 3.84Å; F604-F613 HydrophobicContact CB-CB 4.35Å; T605-F613 WeakPolarHBondContact O-CA 3.4Å; Q606-F613 HydrophobicContact CB-CD1 4.36Å; Q606-F613 HydrophobicContact CB-CE1 4.07Å; Q606-F613 HydrophobicContact CG-CE1 4.38Å; F613-Y649 PolarHBondContact N-O 3.3Å; F613-F650 HydrophobicContact CB-CD1 4.38Å; F613-F650 CarbonylContact O-C 3.59Å; F613-F650 VanDerWaalsContact O-CA 3.23Å; F613-F650 WeakPolarHBondContact O-CA 3.43Å; F613-T651 PolarHBondContact O-N 2.98Å |
| 614 | Q | 90.3 | Very high | 83.9 | Confident | 28 Ų | 28 | 40.2 Ų | 40.2 | 13% | 0.131 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 156.8 | 176.8 | 67.7 | -174.4 | 23.7 | 0 | 0 | 111.5 | F604 T605 N616 T651 | F604-Q614 CarbonylContact C-O 3.42Å; F604-Q614 WeakPolarHBondContact CA-O 3.49Å; T605-Q614 PolarHBondContact N-O 2.8Å; T605-Q614 PolarHBondContact O-N 3.32Å; Q614-N616 PolarHBondContact O-N 3.44Å; Q614-T651 HydrophobicContact CB-CG2 4Å |
| 615 | P | 91.9 | Very high | 83.7 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 133.8 | 174.8 | -25 | 35.4 | 0 | 0 | 0 | 111.7 | F604 S617 F629 F654 I741 | F604-P615 HydrophobicContact CD1-CG 4.45Å; F604-P615 HydrophobicContact CE1-CG 4.1Å; P615-S617 PolarHBondContact O-N 2.83Å; P615-F629 HydrophobicContact CB-CE1 4Å; P615-F629 HydrophobicContact CB-CZ 4.05Å; P615-F629 HydrophobicContact CG-CE1 4.47Å; P615-F654 HydrophobicContact CG-CD2 3.49Å; P615-F654 VanDerWaalsContact CG-CD2 3.49Å; P615-F654 HydrophobicContact CG-CE2 3.35Å; P615-F654 HydrophobicContact CG-CG 4.35Å; P615-F654 HydrophobicContact CG-CZ 4.1Å; P615-I741 HydrophobicContact CB-CB 4.3Å; P615-I741 HydrophobicContact CB-CD1 3.96Å; P615-I741 HydrophobicContact CB-CG2 4.27Å; P615-I741 HydrophobicContact CG-CD1 3.97Å |
| 616 | N | 88.9 | Confident | 83.8 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | trans | -74.9 | 120.1 | 176 | -172.3 | 4.2 | 0 | 0 | 0 | 110.1 | A602 L603 T605 Q614 N618 S619 | A602-N616 VanDerWaalsContact O-CB 3.28Å; A602-N616 WeakPolarHBondContact O-CB 3.4Å; A602-N616 PolarHBondContact O-ND2 3.15Å; L603-N616 VanDerWaalsContact O-CB 3.26Å; L603-N616 WeakPolarHBondContact O-CB 3.4Å; L603-N616 PolarHBondContact O-N 3.41Å; T605-N616 HydrophobicContact CG2-CB 3.84Å; Q614-N616 PolarHBondContact O-N 3.44Å; N616-N618 PolarHBondContact O-N 3.1Å; N616-N618 PolarHBondContact OD1-N 2.98Å; N616-S619 VanDerWaalsContact O-CB 3.25Å; N616-S619 WeakPolarHBondContact O-CB 3.28Å; N616-S619 PolarHBondContact O-N 3.14Å; N616-S619 VanDerWaalsContact O-N 3.09Å; N616-S619 PolarHBondContact O-OG 3.21Å | ||
| 617 | S | 84.5 | Confident | 84.1 | Confident | 61 Ų | 61 | 40.7 Ų | 40.7 | 43% | 0.427 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -32.6 | 172.7 | 52.8 | 0 | 0 | 0 | 0 | 112 | P615 S619 | P615-S617 PolarHBondContact O-N 2.83Å; S617-S619 VanDerWaalsContact C-N 3.32Å; S617-S619 PolarHBondContact O-N 3.25Å |
| 618 | N | 82.9 | Confident | 84.5 | Confident | 52 Ų | 52 | 41.3 Ų | 41.3 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 18.9 | 179.7 | -67.6 | -30.9 | 0 | 0 | 0 | 113.3 | N616 S620 V621 F703 | N616-N618 PolarHBondContact O-N 3.1Å; N616-N618 PolarHBondContact OD1-N 2.98Å; N618-S620 PolarHBondContact O-N 3.11Å; N618-S620 VanDerWaalsContact O-N 3.13Å; N618-V621 VanDerWaalsContact O-CG2 3.29Å; N618-V621 WeakPolarHBondContact O-CG2 3.45Å; N618-V621 PolarHBondContact O-N 2.94Å; N618-F703 HydrophobicContact CB-CE1 3.65Å; N618-F703 HydrophobicContact CB-CZ 3.89Å |
| 619 | S | 87 | Confident | 85.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -61.3 | -20.2 | 179.9 | 44.9 | 0 | 0 | 0 | 0 | 114.1 | A602 N616 S617 V621 N622 H625 Q744 | A602-S619 WeakPolarHBondContact O-CA 3.43Å; A602-S619 WeakPolarHBondContact O-CB 3.18Å; N616-S619 VanDerWaalsContact O-CB 3.25Å; N616-S619 WeakPolarHBondContact O-CB 3.28Å; N616-S619 PolarHBondContact O-N 3.14Å; N616-S619 VanDerWaalsContact O-N 3.09Å; N616-S619 PolarHBondContact O-OG 3.21Å; S617-S619 VanDerWaalsContact C-N 3.32Å; S617-S619 PolarHBondContact O-N 3.25Å; S619-V621 PolarHBondContact O-N 2.96Å; S619-N622 PolarHBondContact O-N 2.95Å; S619-H625 VanDerWaalsContact O-CB 3.26Å; S619-H625 WeakPolarHBondContact O-CB 3.44Å; S619-H625 PolarHBondContact OG-ND1 3.24Å; S619-H625 VanDerWaalsContact OG-ND1 3.13Å; S619-Q744 WeakPolarHBondContact OG-CG 3.28Å; S619-Q744 PolarHBondContact OG-NE2 3.28Å; S619-Q744 VanDerWaalsContact OG-NE2 3.12Å |
| 620 | S | 82.8 | Confident | 86.8 | Confident | 59 Ų | 59 | 42 Ų | 42 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -62.4 | -10.2 | 176.7 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | N618 N622 F703 | N618-S620 PolarHBondContact O-N 3.11Å; N618-S620 VanDerWaalsContact O-N 3.13Å; S620-N622 PolarHBondContact O-N 3.29Å; S620-F703 WeakPolarHBondContact OG-CZ 3.45Å |
| 621 | V | 82.8 | Confident | 87.8 | Confident | 101 Ų | 101 | 41.4 Ų | 41.4 | 61% | 0.612 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -53.5 | -33.9 | 165.8 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | N618 S619 P623 F703 | N618-V621 VanDerWaalsContact O-CG2 3.29Å; N618-V621 WeakPolarHBondContact O-CG2 3.45Å; N618-V621 PolarHBondContact O-N 2.94Å; S619-V621 PolarHBondContact O-N 2.96Å; V621-P623 WeakPolarHBondContact O-CD 3.34Å; V621-F703 HydrophobicContact CG2-CD1 4.23Å; V621-F703 HydrophobicContact CG2-CE1 3.23Å; V621-F703 HydrophobicContact CG2-CZ 3.72Å |
| 622 | N | 81.2 | Confident | 88.6 | Confident | 32 Ų | 32 | 40.5 Ų | 40.5 | 17% | 0.171 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -92.9 | 113.5 | 170.9 | -175.6 | -9.6 | 0 | 0 | 0 | 109.2 | Y601 S619 S620 D624 H625 | Y601-N622 PolarHBondContact O-ND2 3.37Å; S619-N622 PolarHBondContact O-N 2.95Å; S620-N622 PolarHBondContact O-N 3.29Å; N622-D624 PolarHBondContact O-N 3Å; N622-D624 VanDerWaalsContact O-N 3.11Å; N622-D624 PolarHBondContact OD1-N 3.41Å; N622-H625 HydrophobicContact CB-CB 4.26Å; N622-H625 VanDerWaalsContact O-CB 3.26Å; N622-H625 WeakPolarHBondContact O-CB 3.44Å; N622-H625 PolarHBondContact O-CD2 3.44Å; N622-H625 VanDerWaalsContact O-CD2 3.24Å; N622-H625 PolarHBondContact O-N 3.03Å |
| 623 | P | 81.2 | Confident | 89 | Confident | 115 Ų | 115 | 40.4 Ų | 40.4 | 75% | 0.747 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.3 | -178.6 | -25.6 | 35 | 0 | 0 | 0 | 114 | V621 | V621-P623 WeakPolarHBondContact O-CD 3.34Š|
| 624 | D | 84.9 | Confident | 89.1 | Confident | 83 Ų | 83 | 40.2 Ų | 40.2 | 44% | 0.444 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 10.8 | -179.5 | -72.5 | -48.7 | 0 | 0 | 0 | 113.4 | N622 L626 N627 Y628 | N622-D624 PolarHBondContact O-N 3Å; N622-D624 VanDerWaalsContact O-N 3.11Å; N622-D624 PolarHBondContact OD1-N 3.41Å; D624-L626 VanDerWaalsContact C-N 3.3Å; D624-L626 PolarHBondContact O-N 2.91Å; D624-L626 VanDerWaalsContact O-N 3.16Å; D624-N627 WeakPolarHBondContact O-CB 3.35Å; D624-N627 PolarHBondContact O-N 3.41Å; D624-Y628 HydrophobicContact CB-CD2 4.12Å; D624-Y628 HydrophobicContact CB-CE2 3.8Å; D624-Y628 WeakPolarHBondContact O-CD2 3.46Å; D624-Y628 PolarHBondContact O-N 2.93Å; D624-Y628 VanDerWaalsContact O-N 3.12Å |
| 625 | H | 88.2 | Confident | 89.3 | Confident | 23 Ų | 23 | 38.9 Ų | 38.9 | 11% | 0.106 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.1 | -40.7 | -172.3 | 73.3 | 123.6 | 0 | 0 | 0 | 113.9 | L603 S619 N622 N627 Y628 F629 | L603-H625 HydrophobicContact CD2-CB 4.05Å; S619-H625 VanDerWaalsContact O-CB 3.26Å; S619-H625 WeakPolarHBondContact O-CB 3.44Å; S619-H625 PolarHBondContact OG-ND1 3.24Å; S619-H625 VanDerWaalsContact OG-ND1 3.13Å; N622-H625 HydrophobicContact CB-CB 4.26Å; N622-H625 VanDerWaalsContact O-CB 3.26Å; N622-H625 WeakPolarHBondContact O-CB 3.44Å; N622-H625 PolarHBondContact O-CD2 3.44Å; N622-H625 VanDerWaalsContact O-CD2 3.24Å; N622-H625 PolarHBondContact O-N 3.03Å; H625-N627 PolarHBondContact O-N 2.98Å; H625-Y628 PolarHBondContact O-N 2.98Å; H625-F629 WeakPolarHBondContact O-CD2 3.44Å; H625-F629 PolarHBondContact O-N 3.44Å |
| 626 | L | 92.3 | Very high | 89.3 | Confident | 66 Ų | 66 | 38.6 Ų | 38.6 | 35% | 0.346 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 179.4 | -61.1 | -178 | 0 | 0 | 0 | 112.4 | D624 Y628 F629 Q630 P743 Q744 A747 | D624-L626 VanDerWaalsContact C-N 3.3Å; D624-L626 PolarHBondContact O-N 2.91Å; D624-L626 VanDerWaalsContact O-N 3.16Å; L626-Y628 VanDerWaalsContact C-N 3.28Å; L626-Y628 PolarHBondContact O-N 3.06Å; L626-F629 PolarHBondContact O-N 3.27Å; L626-Q630 PolarHBondContact O-N 3.08Å; L626-P743 HydrophobicContact CD2-CB 3.9Å; L626-Q744 HydrophobicContact CD2-CG 4.49Å; L626-A747 HydrophobicContact CB-CB 4.33Å; L626-A747 HydrophobicContact CD2-CB 4.4Å; L626-A747 WeakPolarHBondContact O-CB 3.25Å |
| 627 | N | 91.9 | Very high | 89.5 | Confident | 93 Ų | 93 | 37.6 Ų | 37.6 | 50% | 0.497 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 175.8 | -67.6 | -29 | 0 | 0 | 0 | 110.6 | D624 H625 Q630 F631 | D624-N627 WeakPolarHBondContact O-CB 3.35Å; D624-N627 PolarHBondContact O-N 3.41Å; H625-N627 PolarHBondContact O-N 2.98Å; N627-Q630 PolarHBondContact O-N 2.85Å; N627-F631 WeakPolarHBondContact O-CB 3.39Å; N627-F631 PolarHBondContact O-N 3.04Å |
| 628 | Y | 93 | Very high | 89.8 | Confident | 25 Ų | 25 | 34.7 Ų | 34.7 | 10% | 0.098 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.1 | -34.3 | 176.2 | -67.4 | -43.3 | 0 | 0 | 0 | 113.6 | F551 C555 L603 D624 H625 L626 F631 A632 | F551-Y628 HydrophobicContact CD1-CD1 4.32Å; F551-Y628 HydrophobicContact CD1-CE1 4.3Å; F551-Y628 AromaticContact CE1-CD1 3.46Å; F551-Y628 HydrophobicContact CE1-CD1 3.46Å; F551-Y628 VanDerWaalsContact CE1-CD1 3.46Å; F551-Y628 HydrophobicContact CE1-CD2 4.36Å; F551-Y628 AromaticContact CE1-CE1 3.86Å; F551-Y628 HydrophobicContact CE1-CE1 3.86Å; F551-Y628 AromaticContact CE1-CG 3.75Å; F551-Y628 HydrophobicContact CE1-CG 3.75Å; F551-Y628 HydrophobicContact CZ-CD1 4.12Å; F551-Y628 HydrophobicContact CZ-CG 4.29Å; C555-Y628 HydrophobicContact CB-CE1 4.43Å; L603-Y628 HydrophobicContact CD1-CG 4.48Å; L603-Y628 HydrophobicContact CD2-CD2 4.48Å; D624-Y628 HydrophobicContact CB-CD2 4.12Å; D624-Y628 HydrophobicContact CB-CE2 3.8Å; D624-Y628 WeakPolarHBondContact O-CD2 3.46Å; D624-Y628 PolarHBondContact O-N 2.93Å; D624-Y628 VanDerWaalsContact O-N 3.12Å; H625-Y628 PolarHBondContact O-N 2.98Å; L626-Y628 VanDerWaalsContact C-N 3.28Å; L626-Y628 PolarHBondContact O-N 3.06Å; Y628-F631 PolarHBondContact O-N 3.34Å; Y628-A632 WeakPolarHBondContact O-CB 3.49Å; Y628-A632 PolarHBondContact O-N 3.27Å |
| 629 | F | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 169.8 | -86.1 | -70.9 | 0 | 0 | 0 | 111.7 | L603 F604 P615 H625 L626 F631 A632 G633 Q744 A747 F748 | L603-F629 HydrophobicContact CB-CZ 4.28Å; L603-F629 HydrophobicContact CD2-CD2 4.28Å; L603-F629 HydrophobicContact CD2-CE2 4.13Å; L603-F629 WeakPolarHBondContact O-CZ 3.3Å; F604-F629 HydrophobicContact CD2-CE1 4.42Å; F604-F629 HydrophobicContact CE1-CE1 4.06Å; F604-F629 HydrophobicContact CE2-CD1 4.18Å; F604-F629 AromaticContact CE2-CE1 3.85Å; F604-F629 HydrophobicContact CE2-CE1 3.85Å; F604-F629 AromaticContact CZ-CD1 3.97Å; F604-F629 HydrophobicContact CZ-CD1 3.97Å; F604-F629 AromaticContact CZ-CE1 3.65Å; F604-F629 HydrophobicContact CZ-CE1 3.65Å; P615-F629 HydrophobicContact CB-CE1 4Å; P615-F629 HydrophobicContact CB-CZ 4.05Å; P615-F629 HydrophobicContact CG-CE1 4.47Å; H625-F629 WeakPolarHBondContact O-CD2 3.44Å; H625-F629 PolarHBondContact O-N 3.44Å; L626-F629 PolarHBondContact O-N 3.27Å; F629-F631 VanDerWaalsContact C-N 3.34Å; F629-A632 PolarHBondContact O-N 3.31Å; F629-G633 PolarHBondContact O-N 3Å; F629-Q744 HydrophobicContact CD1-CB 4.25Å; F629-Q744 HydrophobicContact CD2-CB 3.77Å; F629-Q744 HydrophobicContact CD2-CG 3.76Å; F629-Q744 HydrophobicContact CE1-CB 4.09Å; F629-Q744 HydrophobicContact CE2-CB 3.62Å; F629-Q744 HydrophobicContact CE2-CG 3.32Å; F629-Q744 HydrophobicContact CG-CB 4.09Å; F629-Q744 HydrophobicContact CZ-CB 3.75Å; F629-Q744 HydrophobicContact CZ-CG 3.77Å; F629-A747 HydrophobicContact CB-CB 4.04Å; F629-F748 HydrophobicContact CB-CB 4.48Å; F629-F748 WeakPolarHBondContact O-CA 3.08Å |
| 630 | Q | 94.8 | Very high | 90.4 | Very high | 50 Ų | 50 | 32.3 Ų | 32.3 | 23% | 0.234 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 174.2 | -172.9 | -179.1 | 2.9 | 0 | 0 | 111.5 | L626 N627 G633 Q634 A747 G751 | L626-Q630 PolarHBondContact O-N 3.08Å; N627-Q630 PolarHBondContact O-N 2.85Å; Q630-G633 PolarHBondContact O-N 2.88Å; Q630-Q634 WeakPolarHBondContact O-CG 3.19Å; Q630-Q634 PolarHBondContact O-N 2.86Å; Q630-A747 VanDerWaalsContact CA-O 3.24Å; Q630-A747 WeakPolarHBondContact CA-O 3.37Å; Q630-A747 HydrophobicContact CB-CB 4.47Å; Q630-A747 WeakPolarHBondContact CB-O 3.25Å; Q630-G751 WeakPolarHBondContact O-CA 3.48Å |
| 631 | F | 94.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 1% | 0.013 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 175.2 | 173.8 | -113.1 | 0 | 0 | 0 | 112.4 | F551 C555 V558 L592 N627 Y628 F629 G633 Q634 I635 | F551-F631 HydrophobicContact CD2-CE1 4.14Å; F551-F631 AromaticContact CE2-CD1 3.99Å; F551-F631 HydrophobicContact CE2-CD1 3.99Å; F551-F631 AromaticContact CE2-CE1 3.92Å; F551-F631 HydrophobicContact CE2-CE1 3.92Å; F551-F631 HydrophobicContact CZ-CD1 4.03Å; F551-F631 HydrophobicContact CZ-CE1 4.37Å; C555-F631 VanDerWaalsContact CA-CE2 3.48Å; C555-F631 HydrophobicContact CB-CD1 3.9Å; C555-F631 HydrophobicContact CB-CD2 4.09Å; C555-F631 HydrophobicContact CB-CE1 4.02Å; C555-F631 HydrophobicContact CB-CE2 4.21Å; C555-F631 HydrophobicContact CB-CG 3.93Å; C555-F631 HydrophobicContact CB-CZ 4.18Å; V558-F631 HydrophobicContact CB-CD2 4.44Å; V558-F631 HydrophobicContact CB-CE2 3.92Å; V558-F631 HydrophobicContact CG1-CD2 4.46Å; V558-F631 HydrophobicContact CG1-CE2 4.24Å; V558-F631 HydrophobicContact CG2-CE2 4.03Å; L592-F631 HydrophobicContact CD1-CZ 4.49Å; L592-F631 HydrophobicContact CD2-CE1 4.42Å; L592-F631 HydrophobicContact CD2-CZ 4.44Å; N627-F631 WeakPolarHBondContact O-CB 3.39Å; N627-F631 PolarHBondContact O-N 3.04Å; Y628-F631 PolarHBondContact O-N 3.34Å; F629-F631 VanDerWaalsContact C-N 3.34Å; F631-G633 VanDerWaalsContact C-N 3.31Å; F631-G633 PolarHBondContact O-N 2.9Å; F631-Q634 WeakPolarHBondContact O-CB 3.47Å; F631-Q634 PolarHBondContact O-N 3.01Å; F631-Q634 VanDerWaalsContact O-N 3.12Å; F631-I635 HydrophobicContact CD1-CG1 4.49Å; F631-I635 HydrophobicContact CD2-CD1 4.48Å; F631-I635 HydrophobicContact CD2-CG1 4.1Å; F631-I635 HydrophobicContact CE1-CG1 3.99Å; F631-I635 HydrophobicContact CE2-CD1 3.59Å; F631-I635 HydrophobicContact CE2-CG1 3.53Å; F631-I635 HydrophobicContact CZ-CD1 3.69Å; F631-I635 HydrophobicContact CZ-CG1 3.47Å; F631-I635 VanDerWaalsContact CZ-CG1 3.47Å; F631-I635 WeakPolarHBondContact O-CG1 3.42Å; F631-I635 PolarHBondContact O-N 3.05Å |
| 632 | A | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | I596 F604 Y628 F629 Q634 I635 L636 F748 | I596-A632 HydrophobicContact CD1-CB 4.26Å; I596-A632 HydrophobicContact CG1-CB 4.2Å; I596-A632 HydrophobicContact CG2-CB 3.92Å; F604-A632 HydrophobicContact CE2-CB 4.49Å; Y628-A632 WeakPolarHBondContact O-CB 3.49Å; Y628-A632 PolarHBondContact O-N 3.27Å; F629-A632 PolarHBondContact O-N 3.31Å; A632-Q634 PolarHBondContact O-N 3.47Å; A632-I635 PolarHBondContact O-N 3.48Å; A632-L636 WeakPolarHBondContact O-CD1 3.35Å; A632-L636 PolarHBondContact O-N 2.8Å; A632-F748 HydrophobicContact CB-CD2 4.25Å; A632-F748 HydrophobicContact CB-CE2 4.27Å |
| 633 | G | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F629 Q630 F631 L636 G637 F748 F752 | F629-G633 PolarHBondContact O-N 3Å; Q630-G633 PolarHBondContact O-N 2.88Å; F631-G633 VanDerWaalsContact C-N 3.31Å; F631-G633 PolarHBondContact O-N 2.9Å; G633-L636 PolarHBondContact O-N 2.71Å; G633-G637 PolarHBondContact O-N 3.28Å; G633-F748 WeakPolarHBondContact CA-O 3.45Å; G633-F752 VanDerWaalsContact O-CA 3.23Å; G633-F752 WeakPolarHBondContact O-CA 3.27Å; G633-F752 PolarHBondContact O-N 2.84Å |
| 634 | Q | 93.5 | Very high | 91.5 | Very high | 26 Ų | 26 | 29 Ų | 29 | 12% | 0.121 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 175.7 | -74.4 | 178.3 | -25.4 | 0 | 0 | 112 | Q630 F631 A632 G637 L638 F755 | Q630-Q634 WeakPolarHBondContact O-CG 3.19Å; Q630-Q634 PolarHBondContact O-N 2.86Å; F631-Q634 WeakPolarHBondContact O-CB 3.47Å; F631-Q634 PolarHBondContact O-N 3.01Å; F631-Q634 VanDerWaalsContact O-N 3.12Å; A632-Q634 PolarHBondContact O-N 3.47Å; Q634-G637 PolarHBondContact O-N 3.05Å; Q634-L638 WeakPolarHBondContact O-CB 3.34Å; Q634-L638 PolarHBondContact O-N 3.45Å; Q634-F755 HydrophobicContact CB-CE2 4.06Å; Q634-F755 HydrophobicContact CG-CE2 4.22Å |
| 635 | I | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 179.4 | -68.2 | -59.1 | 0 | 0 | 0 | 111.1 | V558 W588 F589 L592 I596 F631 A632 L638 A639 | V558-I635 HydrophobicContact CG2-CD1 4.33Å; W588-I635 HydrophobicContact CH2-CD1 3.77Å; W588-I635 HydrophobicContact CZ2-CD1 4.07Å; F589-I635 HydrophobicContact CD1-CG2 4.1Å; F589-I635 HydrophobicContact CE1-CG2 4.17Å; L592-I635 HydrophobicContact CB-CG2 4.49Å; L592-I635 HydrophobicContact CD1-CD1 3.82Å; L592-I635 HydrophobicContact CD1-CG1 4.18Å; L592-I635 HydrophobicContact CD1-CG2 4.23Å; I596-I635 HydrophobicContact CD1-CB 4.34Å; I596-I635 HydrophobicContact CD1-CG2 4.09Å; F631-I635 HydrophobicContact CD1-CG1 4.49Å; F631-I635 HydrophobicContact CD2-CD1 4.48Å; F631-I635 HydrophobicContact CD2-CG1 4.1Å; F631-I635 HydrophobicContact CE1-CG1 3.99Å; F631-I635 HydrophobicContact CE2-CD1 3.59Å; F631-I635 HydrophobicContact CE2-CG1 3.53Å; F631-I635 HydrophobicContact CZ-CD1 3.69Å; F631-I635 HydrophobicContact CZ-CG1 3.47Å; F631-I635 VanDerWaalsContact CZ-CG1 3.47Å; F631-I635 WeakPolarHBondContact O-CG1 3.42Å; F631-I635 PolarHBondContact O-N 3.05Å; A632-I635 PolarHBondContact O-N 3.48Å; I635-L638 PolarHBondContact O-N 2.85Å; I635-A639 WeakPolarHBondContact O-CB 3.2Å; I635-A639 PolarHBondContact O-N 3.3Å |
| 636 | L | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.8 | -40.8 | 178 | -85.2 | 82.8 | 0 | 0 | 0 | 112.3 | I596 A632 G633 L638 A639 L640 I648 F650 F748 F752 L773 | I596-L636 HydrophobicContact CD1-CD1 3.77Å; A632-L636 WeakPolarHBondContact O-CD1 3.35Å; A632-L636 PolarHBondContact O-N 2.8Å; G633-L636 PolarHBondContact O-N 2.71Å; L636-L638 VanDerWaalsContact C-N 3.3Å; L636-L638 PolarHBondContact O-N 3.16Å; L636-A639 PolarHBondContact O-N 3.07Å; L636-L640 WeakPolarHBondContact O-CB 3.5Å; L636-L640 PolarHBondContact O-N 3.34Å; L636-I648 HydrophobicContact CD1-CD1 4.15Å; L636-F650 HydrophobicContact CD2-CE2 3.4Å; L636-F650 VanDerWaalsContact CD2-CE2 3.4Å; L636-F650 HydrophobicContact CD2-CZ 3.7Å; L636-F748 HydrophobicContact CB-CZ 4.43Å; L636-F748 HydrophobicContact CD2-CZ 4.1Å; L636-F752 HydrophobicContact CB-CD2 4.2Å; L636-F752 HydrophobicContact CB-CE2 4.36Å; L636-L773 HydrophobicContact CD2-CD1 4.45Å |
| 637 | G | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.7 | -37.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G633 Q634 Y641 I756 | G633-G637 PolarHBondContact O-N 3.28Å; Q634-G637 PolarHBondContact O-N 3.05Å; G637-Y641 WeakPolarHBondContact O-CB 3.1Å; G637-Y641 PolarHBondContact O-N 3.19Å; G637-I756 WeakPolarHBondContact O-CD1 3.47Å |
| 638 | L | 91.1 | Very high | 91 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -72.4 | -40.8 | 177.7 | -172.4 | 67.7 | 0 | 0 | 0 | 112.1 | L566 I570 F589 Q634 I635 L636 L640 Y641 H642 F755 | L566-L638 HydrophobicContact CB-CD1 4.05Å; I570-L638 HydrophobicContact CD1-CD1 3.99Å; I570-L638 HydrophobicContact CD1-CD2 3.51Å; I570-L638 HydrophobicContact CD1-CG 3.61Å; I570-L638 HydrophobicContact CG1-CD2 4.38Å; F589-L638 HydrophobicContact CZ-CD2 4.27Å; F589-L638 HydrophobicContact CZ-CG 4.19Å; Q634-L638 WeakPolarHBondContact O-CB 3.34Å; Q634-L638 PolarHBondContact O-N 3.45Å; I635-L638 PolarHBondContact O-N 2.85Å; L636-L638 VanDerWaalsContact C-N 3.3Å; L636-L638 PolarHBondContact O-N 3.16Å; L638-L640 VanDerWaalsContact C-N 3.32Å; L638-Y641 PolarHBondContact O-N 3.4Å; L638-H642 PolarHBondContact O-CD2 3.23Å; L638-H642 PolarHBondContact O-N 3.06Å; L638-F755 HydrophobicContact CB-CD2 4.28Å; L638-F755 HydrophobicContact CB-CE2 4.32Å; L638-F755 HydrophobicContact CD1-CD1 4Å; L638-F755 HydrophobicContact CD1-CE1 3.79Å; L638-F755 HydrophobicContact CD1-CG 4.49Å; L638-F755 HydrophobicContact CD1-CZ 4.09Å |
| 639 | A | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.8 | -48.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | F589 I635 L636 Y641 H642 R643 Q644 V646 | F589-A639 HydrophobicContact CD1-CB 3.82Å; F589-A639 HydrophobicContact CE1-CB 3.67Å; F589-A639 HydrophobicContact CZ-CB 4.31Å; I635-A639 WeakPolarHBondContact O-CB 3.2Å; I635-A639 PolarHBondContact O-N 3.3Å; L636-A639 PolarHBondContact O-N 3.07Å; A639-Y641 PolarHBondContact O-N 2.97Å; A639-H642 CarbonylContact O-C 3.59Å; A639-H642 PolarHBondContact O-N 3.16Å; A639-R643 PolarHBondContact O-N 3.46Å; A639-Q644 CarbonylContact C-O 3.59Å; A639-Q644 HydrophobicContact CB-CB 4.26Å; A639-Q644 PolarHBondContact O-N 3.45Å; A639-V646 HydrophobicContact CB-CG1 3.52Å |
| 640 | L | 90.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 176.5 | -176.9 | 55.1 | 0 | 0 | 0 | 111.4 | F519 Y520 L636 L638 H642 R643 F752 I756 I761 L772 L773 | F519-L640 HydrophobicContact CE1-CD1 4.17Å; F519-L640 HydrophobicContact CE1-CD2 4.31Å; F519-L640 HydrophobicContact CE1-CG 4.13Å; F519-L640 HydrophobicContact CZ-CD2 3.88Å; F519-L640 HydrophobicContact CZ-CG 4.13Å; Y520-L640 HydrophobicContact CE1-CD1 4.47Å; Y520-L640 VanDerWaalsContact CE1-O 3.27Å; Y520-L640 WeakPolarHBondContact CE1-O 3.46Å; Y520-L640 WeakPolarHBondContact OH-CD1 3.32Å; Y520-L640 PolarHBondContact OH-O 3.08Å; L636-L640 WeakPolarHBondContact O-CB 3.5Å; L636-L640 PolarHBondContact O-N 3.34Å; L638-L640 VanDerWaalsContact C-N 3.32Å; L640-H642 VanDerWaalsContact C-N 3.31Å; L640-H642 PolarHBondContact O-N 3.48Å; L640-R643 PolarHBondContact O-N 2.92Å; L640-R643 VanDerWaalsContact O-N 3.13Å; L640-F752 HydrophobicContact CD2-CZ 3.96Å; L640-I756 HydrophobicContact CB-CD1 4.15Å; L640-I756 HydrophobicContact CB-CG1 4.41Å; L640-I756 HydrophobicContact CD2-CD1 4.08Å; L640-I756 HydrophobicContact CD2-CG1 4.05Å; L640-I756 HydrophobicContact CD2-CG2 4.3Å; L640-I756 HydrophobicContact CG-CD1 3.99Å; L640-I756 HydrophobicContact CG-CG1 4.41Å; L640-I761 HydrophobicContact CD2-CD1 3.94Å; L640-L772 HydrophobicContact CD1-CD1 4.03Å; L640-L772 HydrophobicContact CD1-CD2 3.95Å; L640-L772 HydrophobicContact CD1-CG 3.56Å; L640-L772 HydrophobicContact CD2-CD2 4.03Å; L640-L772 HydrophobicContact CD2-CG 4.46Å; L640-L773 HydrophobicContact CB-CD2 4.13Å; L640-L773 HydrophobicContact CD2-CD2 4.39Å |
| 641 | Y | 89.4 | Confident | 90.5 | Very high | 16 Ų | 16 | 21.9 Ų | 21.9 | 6% | 0.063 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.8 | -41.4 | 178.9 | -171.8 | -87.6 | 0 | 0 | 0 | 113 | L523 L524 K567 G637 L638 A639 R643 | L523-Y641 HydrophobicContact CD1-CD2 3.98Å; L523-Y641 HydrophobicContact CD1-CE2 4.11Å; L523-Y641 HydrophobicContact CD2-CD2 3.71Å; L523-Y641 HydrophobicContact CD2-CE2 4.28Å; L523-Y641 HydrophobicContact CD2-CG 4.36Å; L523-Y641 HydrophobicContact CG-CD2 3.72Å; L523-Y641 HydrophobicContact CG-CE2 3.8Å; L524-Y641 HydrophobicContact CD2-CE1 4.22Å; K567-Y641 HydrophobicContact CB-CE1 3.92Å; K567-Y641 HydrophobicContact CD-CE2 4.36Å; K567-Y641 HydrophobicContact CG-CE1 4.02Å; K567-Y641 HydrophobicContact CG-CE2 4.18Å; K567-Y641 WeakPolarHBondContact O-CE1 3.39Å; G637-Y641 WeakPolarHBondContact O-CB 3.1Å; G637-Y641 PolarHBondContact O-N 3.19Å; L638-Y641 PolarHBondContact O-N 3.4Å; A639-Y641 PolarHBondContact O-N 2.97Å; Y641-R643 VanDerWaalsContact C-N 3.33Å |
| 642 | H | 85.8 | Confident | 90 | Very high | 47 Ų | 47 | 23 Ų | 23 | 22% | 0.218 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 13.7 | -179.4 | -72.6 | -73 | 0 | 0 | 0 | 114.2 | L566 I570 L638 A639 L640 Q644 | L566-H642 PolarHBondContact O-CE1 3.4Å; L566-H642 PolarHBondContact O-NE2 3.06Å; I570-H642 WeakPolarHBondContact CD1-CD2 3.44Å; L638-H642 PolarHBondContact O-CD2 3.23Å; L638-H642 PolarHBondContact O-N 3.06Å; A639-H642 CarbonylContact O-C 3.59Å; A639-H642 PolarHBondContact O-N 3.16Å; L640-H642 VanDerWaalsContact C-N 3.31Å; L640-H642 PolarHBondContact O-N 3.48Å; H642-Q644 HydrophobicContact CB-CG 4.07Å; H642-Q644 PolarHBondContact O-N 2.61Å; H642-Q644 PolarHBondContact O-NE2 3.05Å; H642-Q644 VanDerWaalsContact O-NE2 3.12Å |
| 643 | R | 87.9 | Confident | 89.7 | Confident | 139 Ų | 139 | 23.2 Ų | 23.2 | 53% | 0.525 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 34.8 | -176.9 | -55 | -171.5 | -179.2 | -156.5 | 9 | 113.1 | Y520 A639 L640 Y641 | Y520-R643 HydrophobicContact CD1-CG 3.87Å; Y520-R643 HydrophobicContact CE1-CG 3.52Å; Y520-R643 HydrophobicContact CE2-CG 4.22Å; Y520-R643 HydrophobicContact CG-CG 4.37Å; A639-R643 PolarHBondContact O-N 3.46Å; L640-R643 PolarHBondContact O-N 2.92Å; L640-R643 VanDerWaalsContact O-N 3.13Å; Y641-R643 VanDerWaalsContact C-N 3.33Å |
| 644 | Q | 87.6 | Confident | 89.6 | Confident | 36 Ų | 36 | 23.3 Ų | 23.3 | 17% | 0.168 | 11% | 0.106 | C | C | . | . | trans | -92.9 | 130.6 | 174 | -59 | -55.6 | -50.2 | 0 | 0 | 109.3 | F589 A639 H642 | F589-Q644 HydrophobicContact CD2-CB 3.99Å; F589-Q644 HydrophobicContact CD2-CG 3.82Å; F589-Q644 HydrophobicContact CE2-CB 4.23Å; F589-Q644 HydrophobicContact CE2-CG 3.79Å; F589-Q644 HydrophobicContact CG-CB 4.38Å; A639-Q644 CarbonylContact C-O 3.59Å; A639-Q644 HydrophobicContact CB-CB 4.26Å; A639-Q644 PolarHBondContact O-N 3.45Å; H642-Q644 HydrophobicContact CB-CG 4.07Å; H642-Q644 PolarHBondContact O-N 2.61Å; H642-Q644 PolarHBondContact O-NE2 3.05Å; H642-Q644 VanDerWaalsContact O-NE2 3.12Å | ||
| 645 | L | 87.3 | Confident | 89.5 | Confident | 106 Ų | 106 | 22 Ų | 22 | 56% | 0.555 | 10% | 0.1 | S | C | * | . | trans | -79.6 | 138.8 | 175.8 | -56 | -178.2 | 0 | 0 | 0 | 109.6 | L773 | L645-L773 WeakPolarHBondContact CA-O 3.3Š| ||
| 646 | V | 88.2 | Confident | 89.3 | Confident | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.024 | 10% | 0.104 | C | C | . | . | trans | -107.4 | 140.4 | 174.3 | -66 | 0 | 0 | 0 | 0 | 110.1 | A639 I648 L773 S774 | A639-V646 HydrophobicContact CB-CG1 3.52Å; V646-I648 VanDerWaalsContact C-N 3.27Å; V646-I648 HydrophobicContact CB-CG1 4.47Å; V646-I648 PolarHBondContact O-N 2.64Å; V646-L773 HydrophobicContact CG2-CB 3.98Å; V646-L773 WeakPolarHBondContact CG2-O 3.36Å; V646-L773 PolarHBondContact N-O 3.5Å; V646-S774 WeakPolarHBondContact O-CA 3.12Å | ||
| 647 | N | 84.7 | Confident | 89.2 | Confident | 46 Ų | 46 | 24 Ų | 24 | 25% | 0.246 | 11% | 0.108 | C | C | . | . | trans | -93.7 | 55.8 | 179.3 | -169.8 | 14.5 | 0 | 0 | 0 | 110.5 | ||||
| 648 | I | 88.1 | Confident | 89.2 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | trans | -133.6 | 129.4 | 179.4 | -43 | 177.1 | 0 | 0 | 0 | 109.2 | S593 I596 I597 L636 V646 F650 S774 | S593-I648 VanDerWaalsContact CB-CG1 3.48Å; S593-I648 WeakPolarHBondContact O-CD1 3.39Å; S593-I648 WeakPolarHBondContact O-CG1 3.33Å; I596-I648 HydrophobicContact CB-CD1 4.24Å; I596-I648 HydrophobicContact CD1-CD1 4.11Å; I596-I648 HydrophobicContact CG2-CD1 4.3Å; I597-I648 HydrophobicContact CG2-CG2 3.65Å; L636-I648 HydrophobicContact CD1-CD1 4.15Å; V646-I648 VanDerWaalsContact C-N 3.27Å; V646-I648 HydrophobicContact CB-CG1 4.47Å; V646-I648 PolarHBondContact O-N 2.64Å; I648-F650 HydrophobicContact CB-CE2 4.47Å; I648-F650 HydrophobicContact CB-CZ 4.3Å; I648-F650 HydrophobicContact CG2-CD1 4.32Å; I648-F650 HydrophobicContact CG2-CE1 3.72Å; I648-F650 HydrophobicContact CG2-CE2 4.08Å; I648-F650 HydrophobicContact CG2-CZ 3.59Å; I648-S774 PolarHBondContact O-OG 2.8Å | ||
| 649 | Y | 89.8 | Confident | 89.1 | Confident | 27 Ų | 27 | 24.6 Ų | 24.6 | 11% | 0.106 | 11% | 0.112 | C | C | . | . | trans | -117.3 | 119.4 | 179.5 | -59.3 | -88 | 0 | 0 | 0 | 109 | T612 F613 E770 S826 R828 | T612-Y649 CarbonylContact C-O 3.52Å; T612-Y649 VanDerWaalsContact CA-O 3.3Å; T612-Y649 WeakPolarHBondContact CA-O 3.48Å; F613-Y649 PolarHBondContact N-O 3.3Å; Y649-E770 HydrophobicContact CD1-CG 4.24Å; Y649-E770 WeakPolarHBondContact CD1-OE1 3.23Å; Y649-S826 VanDerWaalsContact CD1-OG 3.31Å; Y649-S826 WeakPolarHBondContact CD1-OG 3.39Å; Y649-R828 HydrophobicContact CD1-CB 4.22Å; Y649-R828 HydrophobicContact CD2-CB 4.21Å; Y649-R828 HydrophobicContact CD2-CG 4.26Å; Y649-R828 HydrophobicContact CE1-CB 3.85Å; Y649-R828 HydrophobicContact CE1-CG 4.48Å; Y649-R828 HydrophobicContact CE2-CB 3.86Å; Y649-R828 HydrophobicContact CE2-CG 3.66Å; Y649-R828 HydrophobicContact CG-CB 4.38Å | ||
| 650 | F | 91.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -97.6 | 165.8 | 178.6 | -57.4 | -73.5 | 0 | 0 | 0 | 112.1 | F604 F613 L636 I648 F654 Y655 | F604-F650 HydrophobicContact CD1-CD1 4.28Å; F604-F650 AromaticContact CD1-CE1 3.98Å; F604-F650 HydrophobicContact CD1-CE1 3.98Å; F604-F650 HydrophobicContact CE1-CD1 4.07Å; F604-F650 AromaticContact CE1-CE1 3.59Å; F604-F650 HydrophobicContact CE1-CE1 3.59Å; F604-F650 HydrophobicContact CZ-CE1 4.03Å; F613-F650 HydrophobicContact CB-CD1 4.38Å; F613-F650 CarbonylContact O-C 3.59Å; F613-F650 VanDerWaalsContact O-CA 3.23Å; F613-F650 WeakPolarHBondContact O-CA 3.43Å; L636-F650 HydrophobicContact CD2-CE2 3.4Å; L636-F650 VanDerWaalsContact CD2-CE2 3.4Å; L636-F650 HydrophobicContact CD2-CZ 3.7Å; I648-F650 HydrophobicContact CB-CE2 4.47Å; I648-F650 HydrophobicContact CB-CZ 4.3Å; I648-F650 HydrophobicContact CG2-CD1 4.32Å; I648-F650 HydrophobicContact CG2-CE1 3.72Å; I648-F650 HydrophobicContact CG2-CE2 4.08Å; I648-F650 HydrophobicContact CG2-CZ 3.59Å; F650-F654 HydrophobicContact CB-CB 4.13Å; F650-F654 HydrophobicContact CB-CD1 3.66Å; F650-F654 HydrophobicContact CB-CG 4.35Å; F650-F654 AromaticContact CD1-CD1 3.68Å; F650-F654 HydrophobicContact CD1-CD1 3.68Å; F650-F654 AromaticContact CD1-CE1 3.91Å; F650-F654 HydrophobicContact CD1-CE1 3.91Å; F650-F654 AromaticContact CD2-CD1 3.98Å; F650-F654 HydrophobicContact CD2-CD1 3.98Å; F650-F654 HydrophobicContact CD2-CE1 4.23Å; F650-F654 HydrophobicContact CE1-CD1 4.3Å; F650-F654 HydrophobicContact CE1-CE1 4.05Å; F650-F654 HydrophobicContact CE2-CE1 4.37Å; F650-F654 AromaticContact CG-CD1 3.5Å; F650-F654 HydrophobicContact CG-CD1 3.5Å; F650-F654 HydrophobicContact CG-CE1 4.01Å; F650-F654 HydrophobicContact CZ-CE1 4.28Å; F650-Y655 HydrophobicContact CB-CD2 4.37Å; F650-Y655 HydrophobicContact CB-CE1 4.28Å; F650-Y655 HydrophobicContact CB-CE2 3.86Å; F650-Y655 AromaticContact CD2-CE1 3.82Å; F650-Y655 HydrophobicContact CD2-CE1 3.82Å; F650-Y655 AromaticContact CD2-CZ 3.85Å; F650-Y655 PolarHBondContact N-OH 2.85Å; F650-Y655 WeakPolarHBondContact O-CE2 3.42Å |
| 651 | T | 89.1 | Confident | 88.5 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | trans | -66.4 | 151.4 | 170.2 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | T612 F613 Q614 S653 F654 Y655 | T612-T651 WeakPolarHBondContact OG1-CG2 3.46Å; F613-T651 PolarHBondContact O-N 2.98Å; Q614-T651 HydrophobicContact CB-CG2 4Å; T651-S653 VanDerWaalsContact C-N 3.25Å; T651-S653 PolarHBondContact O-N 2.86Å; T651-S653 PolarHBondContact OG1-OG 3.38Å; T651-S653 VanDerWaalsContact OG1-OG 3.07Å; T651-F654 WeakPolarHBondContact O-CB 3.46Å; T651-F654 PolarHBondContact O-N 3.41Å; T651-Y655 WeakPolarHBondContact O-CD2 3.37Å; T651-Y655 PolarHBondContact O-N 3.37Å | ||
| 652 | R | 85.5 | Confident | 88.2 | Confident | 25 Ų | 25 | 34.4 Ų | 34.4 | 9% | 0.094 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.3 | -41.7 | 178.7 | -68.7 | -71.1 | 170.3 | -135.9 | -16.7 | 112.8 | F654 Y655 K656 E766 E770 G825 | R652-F654 PolarHBondContact O-N 3.13Å; R652-Y655 PolarHBondContact O-N 3.26Å; R652-K656 WeakPolarHBondContact O-CG 3.45Å; R652-K656 PolarHBondContact O-N 3.26Å; R652-E766 PolarHBondContact NH1-O 3.09Å; R652-E766 VanDerWaalsContact NH1-O 3.08Å; R652-E770 IonicContact CZ-OE2 2.87Å; R652-E770 IonicContact NH1-OE2 2.83Å; R652-E770 PolarHBondContact NH1-OE2 3Å; R652-E770 IonicContact NH2-OE2 3.78Å; R652-E770 PolarHBondContact NH2-OE2 3.4Å; R652-G825 PolarHBondContact NH2-O 2.87Å |
| 653 | S | 87.8 | Confident | 88.2 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.9 | -36.6 | 175.1 | 46.4 | 0 | 0 | 0 | 0 | 112.9 | T651 K656 H657 M737 | T651-S653 VanDerWaalsContact C-N 3.25Å; T651-S653 PolarHBondContact O-N 2.86Å; T651-S653 PolarHBondContact OG1-OG 3.38Å; T651-S653 VanDerWaalsContact OG1-OG 3.07Å; S653-K656 PolarHBondContact O-N 3.47Å; S653-H657 PolarHBondContact O-CD2 2.82Å; S653-H657 PolarHBondContact O-N 3.11Å; S653-M737 WeakPolarHBondContact OG-CE 3.27Å |
| 654 | F | 92.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.9 | -39.1 | 179.8 | -169.1 | -115.7 | 0 | 0 | 0 | 111.9 | F604 P615 F650 T651 R652 K656 H657 I658 I745 F748 | F604-F654 HydrophobicContact CE1-CE1 4.16Å; F604-F654 HydrophobicContact CE1-CZ 4.15Å; P615-F654 HydrophobicContact CG-CD2 3.49Å; P615-F654 VanDerWaalsContact CG-CD2 3.49Å; P615-F654 HydrophobicContact CG-CE2 3.35Å; P615-F654 HydrophobicContact CG-CG 4.35Å; P615-F654 HydrophobicContact CG-CZ 4.1Å; F650-F654 HydrophobicContact CB-CB 4.13Å; F650-F654 HydrophobicContact CB-CD1 3.66Å; F650-F654 HydrophobicContact CB-CG 4.35Å; F650-F654 AromaticContact CD1-CD1 3.68Å; F650-F654 HydrophobicContact CD1-CD1 3.68Å; F650-F654 AromaticContact CD1-CE1 3.91Å; F650-F654 HydrophobicContact CD1-CE1 3.91Å; F650-F654 AromaticContact CD2-CD1 3.98Å; F650-F654 HydrophobicContact CD2-CD1 3.98Å; F650-F654 HydrophobicContact CD2-CE1 4.23Å; F650-F654 HydrophobicContact CE1-CD1 4.3Å; F650-F654 HydrophobicContact CE1-CE1 4.05Å; F650-F654 HydrophobicContact CE2-CE1 4.37Å; F650-F654 AromaticContact CG-CD1 3.5Å; F650-F654 HydrophobicContact CG-CD1 3.5Å; F650-F654 HydrophobicContact CG-CE1 4.01Å; F650-F654 HydrophobicContact CZ-CE1 4.28Å; T651-F654 WeakPolarHBondContact O-CB 3.46Å; T651-F654 PolarHBondContact O-N 3.41Å; R652-F654 PolarHBondContact O-N 3.13Å; F654-K656 VanDerWaalsContact C-N 3.32Å; F654-K656 PolarHBondContact O-N 3.12Å; F654-H657 WeakPolarHBondContact O-CB 3.24Å; F654-H657 PolarHBondContact O-N 3.14Å; F654-I658 HydrophobicContact CD1-CD1 4.11Å; F654-I658 HydrophobicContact CE1-CD1 3.99Å; F654-I658 WeakPolarHBondContact O-CG1 3.47Å; F654-I658 PolarHBondContact O-N 3.41Å; F654-I745 HydrophobicContact CE2-CG1 4.25Å; F654-F748 HydrophobicContact CE1-CD1 4.47Å; F654-F748 HydrophobicContact CE1-CE1 4.18Å; F654-F748 HydrophobicContact CE1-CE2 4.37Å; F654-F748 HydrophobicContact CE1-CZ 4.12Å; F654-F748 AromaticContact CZ-CD1 3.87Å; F654-F748 HydrophobicContact CZ-CD1 3.87Å; F654-F748 HydrophobicContact CZ-CD2 4.14Å; F654-F748 HydrophobicContact CZ-CE1 4.04Å; F654-F748 HydrophobicContact CZ-CE2 4.28Å; F654-F748 AromaticContact CZ-CG 3.93Å; F654-F748 HydrophobicContact CZ-CG 3.93Å; F654-F748 HydrophobicContact CZ-CZ 4.24Å |
| 655 | Y | 92 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -40 | 170.5 | -67.5 | -61.9 | 0 | 0 | 0 | 112.1 | F650 T651 R652 H657 I658 L659 L769 E770 L773 | F650-Y655 HydrophobicContact CB-CD2 4.37Å; F650-Y655 HydrophobicContact CB-CE1 4.28Å; F650-Y655 HydrophobicContact CB-CE2 3.86Å; F650-Y655 AromaticContact CD2-CE1 3.82Å; F650-Y655 HydrophobicContact CD2-CE1 3.82Å; F650-Y655 AromaticContact CD2-CZ 3.85Å; F650-Y655 PolarHBondContact N-OH 2.85Å; F650-Y655 WeakPolarHBondContact O-CE2 3.42Å; T651-Y655 WeakPolarHBondContact O-CD2 3.37Å; T651-Y655 PolarHBondContact O-N 3.37Å; R652-Y655 PolarHBondContact O-N 3.26Å; Y655-H657 VanDerWaalsContact C-N 3.33Å; Y655-H657 PolarHBondContact O-N 3.38Å; Y655-I658 HydrophobicContact CD1-CD1 4.37Å; Y655-I658 PolarHBondContact O-N 2.63Å; Y655-I658 VanDerWaalsContact O-N 3.16Å; Y655-L659 WeakPolarHBondContact O-CG 3.42Å; Y655-L659 PolarHBondContact O-N 3.48Å; Y655-L769 HydrophobicContact CD1-CB 4.34Å; Y655-L769 HydrophobicContact CD1-CD2 3.86Å; Y655-L769 HydrophobicContact CD1-CG 3.87Å; Y655-L769 HydrophobicContact CE1-CG 4.46Å; Y655-E770 HydrophobicContact CD2-CB 4.44Å; Y655-E770 HydrophobicContact CE1-CB 4.25Å; Y655-E770 HydrophobicContact CE2-CB 3.82Å; Y655-E770 HydrophobicContact CE2-CG 4.09Å; Y655-L773 HydrophobicContact CE1-CD1 4.07Å |
| 656 | K | 89.9 | Confident | 87.1 | Confident | 18 Ų | 18 | 28.4 Ų | 28.4 | 8% | 0.078 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 172.6 | -73.6 | 178.5 | 179.6 | 171.3 | 0 | 112 | R652 S653 F654 I658 L659 G660 I661 V663 D667 E766 | R652-K656 WeakPolarHBondContact O-CG 3.45Å; R652-K656 PolarHBondContact O-N 3.26Å; S653-K656 PolarHBondContact O-N 3.47Å; F654-K656 VanDerWaalsContact C-N 3.32Å; F654-K656 PolarHBondContact O-N 3.12Å; K656-I658 VanDerWaalsContact C-N 3.35Å; K656-I658 PolarHBondContact O-N 2.9Å; K656-L659 CarbonylContact O-C 3.54Å; K656-L659 PolarHBondContact O-N 3.32Å; K656-G660 PolarHBondContact O-N 2.86Å; K656-I661 HydrophobicContact CB-CB 4.06Å; K656-I661 HydrophobicContact CB-CG2 4.44Å; K656-I661 HydrophobicContact CD-CG2 4.37Å; K656-I661 HydrophobicContact CG-CB 4.21Å; K656-I661 HydrophobicContact CG-CG2 4.16Å; K656-I661 PolarHBondContact O-N 2.98Å; K656-V663 HydrophobicContact CB-CG1 4.46Å; K656-D667 VanDerWaalsContact NZ-CG 3.26Å; K656-D667 IonicContact NZ-OD1 3.56Å; K656-D667 PolarHBondContact NZ-OD1 2.9Å; K656-D667 IonicContact NZ-OD2 2.67Å; K656-D667 PolarHBondContact NZ-OD2 2.88Å; K656-E766 WeakPolarHBondContact CE-OE1 3.36Å; K656-E766 HydrophobicContact CG-CB 3.99Å; K656-E766 HydrophobicContact CG-CG 4.18Å; K656-E766 IonicContact NZ-OE1 3.55Å |
| 657 | H | 91.3 | Very high | 86.9 | Confident | 22 Ų | 22 | 29 Ų | 29 | 10% | 0.102 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 173.7 | -71.1 | -43.8 | 0 | 0 | 0 | 112.9 | S653 F654 Y655 L659 G660 M737 T738 I745 | S653-H657 PolarHBondContact O-CD2 2.82Å; S653-H657 PolarHBondContact O-N 3.11Å; F654-H657 WeakPolarHBondContact O-CB 3.24Å; F654-H657 PolarHBondContact O-N 3.14Å; Y655-H657 VanDerWaalsContact C-N 3.33Å; Y655-H657 PolarHBondContact O-N 3.38Å; H657-L659 VanDerWaalsContact C-N 3.27Å; H657-L659 PolarHBondContact O-N 3.45Å; H657-G660 PolarHBondContact O-N 3.26Å; H657-M737 PolarHBondContact NE2-O 3.07Å; H657-T738 PolarHBondContact CE1-OG1 3.38Å; H657-I745 HydrophobicContact CB-CD1 4.3Å; H657-I745 HydrophobicContact CB-CG2 4.1Å; H657-I745 VanDerWaalsContact CD2-CD1 3.46Å; H657-I745 WeakPolarHBondContact CD2-CD1 3.46Å |
| 658 | I | 92.2 | Very high | 86.8 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -37.3 | 176.3 | -63.3 | 167.1 | 0 | 0 | 0 | 111.3 | F654 Y655 K656 F748 L749 F752 L769 | F654-I658 HydrophobicContact CD1-CD1 4.11Å; F654-I658 HydrophobicContact CE1-CD1 3.99Å; F654-I658 WeakPolarHBondContact O-CG1 3.47Å; F654-I658 PolarHBondContact O-N 3.41Å; Y655-I658 HydrophobicContact CD1-CD1 4.37Å; Y655-I658 PolarHBondContact O-N 2.63Å; Y655-I658 VanDerWaalsContact O-N 3.16Å; K656-I658 VanDerWaalsContact C-N 3.35Å; K656-I658 PolarHBondContact O-N 2.9Å; I658-F748 HydrophobicContact CD1-CE1 3.82Å; I658-F748 HydrophobicContact CD1-CZ 4.39Å; I658-F748 HydrophobicContact CG1-CD1 4.47Å; I658-F748 HydrophobicContact CG1-CE1 3.99Å; I658-L749 HydrophobicContact CB-CD2 4.32Å; I658-L749 HydrophobicContact CG1-CD2 4.33Å; I658-L749 HydrophobicContact CG2-CD2 4.27Å; I658-F752 HydrophobicContact CG2-CD1 4.31Å; I658-F752 HydrophobicContact CG2-CE1 4.07Å; I658-F752 HydrophobicContact CG2-CZ 4.48Å; I658-L769 HydrophobicContact CB-CD2 3.88Å; I658-L769 HydrophobicContact CD1-CD2 4.38Å; I658-L769 HydrophobicContact CG2-CD2 3.72Å |
| 659 | L | 88.5 | Confident | 86.2 | Confident | 9 Ų | 9 | 28.8 Ų | 28.8 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -82.8 | -11.4 | 179.9 | -64.4 | 169.6 | 0 | 0 | 0 | 113.7 | Y655 K656 H657 I661 I761 D765 E766 L769 | Y655-L659 WeakPolarHBondContact O-CG 3.42Å; Y655-L659 PolarHBondContact O-N 3.48Å; K656-L659 CarbonylContact O-C 3.54Å; K656-L659 PolarHBondContact O-N 3.32Å; H657-L659 VanDerWaalsContact C-N 3.27Å; H657-L659 PolarHBondContact O-N 3.45Å; L659-I661 VanDerWaalsContact C-N 3.34Å; L659-I661 HydrophobicContact CB-CD1 3.74Å; L659-I661 HydrophobicContact CB-CG1 3.8Å; L659-I661 HydrophobicContact CD1-CD1 3.76Å; L659-I661 HydrophobicContact CG-CD1 4.4Å; L659-I761 HydrophobicContact CD2-CG1 4.2Å; L659-I761 HydrophobicContact CD2-CG2 4.42Å; L659-I761 VanDerWaalsContact CD2-O 3.25Å; L659-I761 WeakPolarHBondContact CD2-O 3.21Å; L659-D765 WeakPolarHBondContact CD1-O 3.12Å; L659-E766 HydrophobicContact CD1-CB 4.24Å; L659-L769 HydrophobicContact CD1-CB 4.43Å; L659-L769 HydrophobicContact CD1-CD2 4.22Å; L659-L769 HydrophobicContact CD2-CD2 3.95Å; L659-L769 HydrophobicContact CG-CD2 3.8Å |
| 660 | G | 85.4 | Confident | 85.5 | Confident | 66 Ų | 66 | 28.1 Ų | 28.1 | 68% | 0.68 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 25.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K656 H657 | K656-G660 PolarHBondContact O-N 2.86Å; H657-G660 PolarHBondContact O-N 3.26Å |
| 661 | I | 84.9 | Confident | 84.7 | Confident | 47 Ų | 47 | 30.8 Ų | 30.8 | 24% | 0.241 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -89.1 | 135.5 | 177.5 | -60.4 | 172.3 | 0 | 0 | 0 | 109 | K656 L659 | K656-I661 HydrophobicContact CB-CB 4.06Å; K656-I661 HydrophobicContact CB-CG2 4.44Å; K656-I661 HydrophobicContact CD-CG2 4.37Å; K656-I661 HydrophobicContact CG-CB 4.21Å; K656-I661 HydrophobicContact CG-CG2 4.16Å; K656-I661 PolarHBondContact O-N 2.98Å; L659-I661 VanDerWaalsContact C-N 3.34Å; L659-I661 HydrophobicContact CB-CD1 3.74Å; L659-I661 HydrophobicContact CB-CG1 3.8Å; L659-I661 HydrophobicContact CD1-CD1 3.76Å; L659-I661 HydrophobicContact CG-CD1 4.4Å |
| 662 | P | 83 | Confident | 84.2 | Confident | 111 Ų | 111 | 33.7 Ų | 33.7 | 72% | 0.721 | 20% | 0.199 | S | C | * | . | P | Polyproline II helix | trans | -66.2 | 140.7 | 176.4 | 27.6 | -34.5 | 0 | 0 | 0 | 112 | ||
| 663 | V | 84.6 | Confident | 83.8 | Confident | 26 Ų | 26 | 34.4 Ų | 34.4 | 16% | 0.158 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -78.5 | 149.1 | 176.9 | -66.7 | 0 | 0 | 0 | 0 | 112 | K656 T733 M737 | K656-V663 HydrophobicContact CB-CG1 4.46Å; V663-T733 HydrophobicContact CG2-CG2 4.22Å; V663-M737 HydrophobicContact CG2-CB 4.02Å |
| 664 | S | 82.9 | Confident | 83.4 | Confident | 33 Ų | 33 | 41 Ų | 41 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | trans | -112.1 | 159.4 | 179.4 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | Q666 D667 T733 | S664-Q666 PolarHBondContact O-N 2.87Å; S664-Q666 VanDerWaalsContact O-N 3.13Å; S664-D667 PolarHBondContact N-OD2 3.39Å; S664-D667 WeakPolarHBondContact O-CB 3.38Å; S664-D667 PolarHBondContact O-N 3.27Å; S664-T733 WeakPolarHBondContact O-CG2 3.4Å | ||
| 665 | Y | 79.8 | Confident | 82.9 | Confident | 56 Ų | 56 | 43 Ų | 43 | 22% | 0.22 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -59 | -26.4 | 177.3 | 76.6 | -90 | 0 | 0 | 0 | 112.5 | D667 V668 Q680 L683 V729 | Y665-D667 PolarHBondContact O-N 2.66Å; Y665-V668 VanDerWaalsContact O-CB 3.29Å; Y665-V668 WeakPolarHBondContact O-CB 3.32Å; Y665-V668 WeakPolarHBondContact O-CG2 3.41Å; Y665-V668 PolarHBondContact O-N 3.27Å; Y665-Q680 HydrophobicContact CE2-CB 4.12Å; Y665-Q680 HydrophobicContact CE2-CG 4.39Å; Y665-L683 HydrophobicContact CD1-CD1 3.88Å; Y665-L683 HydrophobicContact CD2-CD1 4.4Å; Y665-L683 HydrophobicContact CE1-CD1 3.72Å; Y665-L683 HydrophobicContact CE2-CD1 4.28Å; Y665-L683 HydrophobicContact CG-CD1 4.22Å; Y665-V729 HydrophobicContact CG-CG1 4.23Å |
| 666 | Q | 78.6 | Confident | 82.3 | Confident | 86 Ų | 86 | 43.4 Ų | 43.4 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -65 | -30.5 | 175.8 | -66.1 | 179.7 | -11.7 | 0 | 0 | 111.9 | S664 V668 S669 | S664-Q666 PolarHBondContact O-N 2.87Å; S664-Q666 VanDerWaalsContact O-N 3.13Å; Q666-V668 PolarHBondContact O-N 2.95Å; Q666-S669 WeakPolarHBondContact O-CB 3.33Å; Q666-S669 PolarHBondContact O-N 2.88Å; Q666-S669 PolarHBondContact O-OG 3.33Å |
| 667 | D | 82.8 | Confident | 81.9 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 9% | 0.086 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -68.4 | -24.6 | 179.3 | -59.3 | -51.5 | 0 | 0 | 0 | 111.7 | K656 S664 Y665 S669 S670 M737 | K656-D667 VanDerWaalsContact NZ-CG 3.26Å; K656-D667 IonicContact NZ-OD1 3.56Å; K656-D667 PolarHBondContact NZ-OD1 2.9Å; K656-D667 IonicContact NZ-OD2 2.67Å; K656-D667 PolarHBondContact NZ-OD2 2.88Å; S664-D667 PolarHBondContact N-OD2 3.39Å; S664-D667 WeakPolarHBondContact O-CB 3.38Å; S664-D667 PolarHBondContact O-N 3.27Å; Y665-D667 PolarHBondContact O-N 2.66Å; D667-S669 PolarHBondContact O-N 3.49Å; D667-S670 PolarHBondContact O-N 2.9Å; D667-S670 PolarHBondContact O-OG 2.72Å; D667-M737 HydrophobicContact CB-CE 4.24Å |
| 668 | V | 82.8 | Confident | 81.5 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -60.5 | -27.5 | 176 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | Y665 Q666 S670 I671 D672 Y675 A676 L679 T733 M737 | Y665-V668 VanDerWaalsContact O-CB 3.29Å; Y665-V668 WeakPolarHBondContact O-CB 3.32Å; Y665-V668 WeakPolarHBondContact O-CG2 3.41Å; Y665-V668 PolarHBondContact O-N 3.27Å; Q666-V668 PolarHBondContact O-N 2.95Å; V668-S670 PolarHBondContact O-N 3.42Å; V668-S670 VanDerWaalsContact O-N 3.14Å; V668-I671 PolarHBondContact O-N 3.3Å; V668-D672 PolarHBondContact O-N 2.89Å; V668-Y675 HydrophobicContact CG1-CD1 4.06Å; V668-A676 HydrophobicContact CB-CB 4.21Å; V668-A676 HydrophobicContact CG1-CB 4.36Å; V668-L679 HydrophobicContact CG2-CD1 4.37Å; V668-T733 HydrophobicContact CG2-CG2 3.86Å; V668-M737 HydrophobicContact CG2-CG 4.07Å; V668-M737 HydrophobicContact CG2-SD 4.1Å |
| 669 | S | 76.4 | Confident | 81.2 | Confident | 42 Ų | 42 | 52.3 Ų | 52.3 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -60.3 | -25.2 | 179.6 | 67.7 | 0 | 0 | 0 | 0 | 113.7 | Q666 D667 I671 P673 | Q666-S669 WeakPolarHBondContact O-CB 3.33Å; Q666-S669 PolarHBondContact O-N 2.88Å; Q666-S669 PolarHBondContact O-OG 3.33Å; D667-S669 PolarHBondContact O-N 3.49Å; S669-I671 VanDerWaalsContact C-N 3.3Å; S669-P673 WeakPolarHBondContact O-CG 3.49Å |
| 670 | S | 73.2 | Confident | 80.9 | Confident | 12 Ų | 12 | 56 Ų | 56 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -71.1 | -26.3 | 175.1 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | S607 A608 D667 V668 | S607-S670 WeakPolarHBondContact CB-O 3.24Å; A608-S670 PolarHBondContact N-O 3.2Å; D667-S670 PolarHBondContact O-N 2.9Å; D667-S670 PolarHBondContact O-OG 2.72Å; V668-S670 PolarHBondContact O-N 3.42Å; V668-S670 VanDerWaalsContact O-N 3.14Å |
| 671 | I | 75.4 | Confident | 80.9 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 30% | 0.297 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -53.9 | 179.4 | -46.2 | -158.2 | 0 | 0 | 0 | 110.6 | V668 S669 M737 | V668-I671 PolarHBondContact O-N 3.3Å; S669-I671 VanDerWaalsContact C-N 3.3Å; I671-M737 HydrophobicContact CD1-CE 3.51Å; I671-M737 HydrophobicContact CD1-SD 3.2Å; I671-M737 WeakPolarHBondContact CD1-SD 3.27Å; I671-M737 HydrophobicContact CG1-CE 3.89Å; I671-M737 HydrophobicContact CG1-SD 3.82Å |
| 672 | D | 78.9 | Confident | 80.8 | Confident | 65 Ų | 65 | 57 Ų | 57 | 35% | 0.348 | 29% | 0.288 | S | S | . | . | trans | -139 | 91.9 | -174.2 | -169.3 | -26.3 | 0 | 0 | 0 | 109.4 | V668 E674 Y675 A676 | V668-D672 PolarHBondContact O-N 2.89Å; D672-E674 VanDerWaalsContact C-N 3.26Å; D672-E674 PolarHBondContact O-N 3.36Å; D672-E674 PolarHBondContact OD1-N 2.99Å; D672-Y675 PolarHBondContact O-N 3.2Å; D672-Y675 WeakPolarHBondContact OD1-CB 3.49Å; D672-Y675 PolarHBondContact OD1-N 3.2Å; D672-Y675 WeakPolarHBondContact OD2-CB 3.49Å; D672-A676 WeakPolarHBondContact O-CB 3.33Å; D672-A676 PolarHBondContact O-N 3.43Å | ||
| 673 | P | 77.6 | Confident | 80.8 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 25% | 0.253 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -29.4 | -178.4 | -17.4 | 28.3 | 0 | 0 | 0 | 113.1 | A608 S669 K677 C864 | A608-P673 HydrophobicContact CB-CG 3.96Å; S669-P673 WeakPolarHBondContact O-CG 3.49Å; P673-K677 WeakPolarHBondContact O-CG 3.41Å; P673-K677 PolarHBondContact O-N 3.17Å; P673-C864 HydrophobicContact CG-CB 4.35Å; P673-C864 WeakPolarHBondContact CG-SG 3.21Å |
| 674 | E | 78.8 | Confident | 80.7 | Confident | 143 Ų | 143 | 57.9 Ų | 57.9 | 67% | 0.668 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -75.1 | -44.7 | -180 | -171.8 | 173.9 | 179.7 | 0 | 0 | 110.1 | D672 A676 K677 N678 | D672-E674 VanDerWaalsContact C-N 3.26Å; D672-E674 PolarHBondContact O-N 3.36Å; D672-E674 PolarHBondContact OD1-N 2.99Å; E674-A676 PolarHBondContact O-N 3.14Å; E674-K677 WeakPolarHBondContact O-CB 3.4Å; E674-K677 PolarHBondContact O-N 3.2Å; E674-N678 PolarHBondContact O-N 2.83Å; E674-N678 VanDerWaalsContact O-N 3.09Å; E674-N678 PolarHBondContact O-ND2 3.16Å |
| 675 | Y | 81.6 | Confident | 80.7 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 175.5 | -164.3 | -101.9 | 0 | 0 | 0 | 112.3 | V668 D672 K677 N678 L679 V732 R736 | V668-Y675 HydrophobicContact CG1-CD1 4.06Å; D672-Y675 PolarHBondContact O-N 3.2Å; D672-Y675 WeakPolarHBondContact OD1-CB 3.49Å; D672-Y675 PolarHBondContact OD1-N 3.2Å; D672-Y675 WeakPolarHBondContact OD2-CB 3.49Å; Y675-K677 VanDerWaalsContact C-N 3.31Å; Y675-K677 PolarHBondContact O-N 3.32Å; Y675-N678 WeakPolarHBondContact O-CB 3.49Å; Y675-N678 PolarHBondContact O-N 2.88Å; Y675-N678 VanDerWaalsContact O-N 3.09Å; Y675-L679 HydrophobicContact CD1-CD1 3.85Å; Y675-L679 HydrophobicContact CD1-CG 4.06Å; Y675-L679 HydrophobicContact CE1-CD1 3.79Å; Y675-L679 HydrophobicContact CE1-CD2 4.03Å; Y675-L679 HydrophobicContact CE1-CG 3.98Å; Y675-L679 WeakPolarHBondContact O-CG 3.47Å; Y675-L679 PolarHBondContact O-N 3.26Å; Y675-V732 HydrophobicContact CE1-CG1 3.71Å; Y675-V732 WeakPolarHBondContact OH-CG1 3.45Å; Y675-R736 PolarHBondContact OH-NE 2.95Å |
| 676 | A | 79.9 | Confident | 80.7 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 7% | 0.066 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V668 D672 E674 N678 L679 Q680 | V668-A676 HydrophobicContact CB-CB 4.21Å; V668-A676 HydrophobicContact CG1-CB 4.36Å; D672-A676 WeakPolarHBondContact O-CB 3.33Å; D672-A676 PolarHBondContact O-N 3.43Å; E674-A676 PolarHBondContact O-N 3.14Å; A676-N678 VanDerWaalsContact C-N 3.33Å; A676-L679 PolarHBondContact O-N 3.4Å; A676-Q680 WeakPolarHBondContact O-CB 3.31Å; A676-Q680 PolarHBondContact O-N 2.96Å |
| 677 | K | 81.1 | Confident | 80.8 | Confident | 144 Ų | 144 | 57.9 Ų | 57.9 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.9 | -39.9 | 173 | -74.2 | 170.9 | -174.1 | 172.1 | 0 | 111.8 | P673 E674 Y675 Q680 W681 | P673-K677 WeakPolarHBondContact O-CG 3.41Å; P673-K677 PolarHBondContact O-N 3.17Å; E674-K677 WeakPolarHBondContact O-CB 3.4Å; E674-K677 PolarHBondContact O-N 3.2Å; Y675-K677 VanDerWaalsContact C-N 3.31Å; Y675-K677 PolarHBondContact O-N 3.32Å; K677-Q680 PolarHBondContact O-N 2.87Å; K677-W681 WeakPolarHBondContact O-CB 3.48Å; K677-W681 PolarHBondContact O-N 2.79Å |
| 678 | N | 84.1 | Confident | 80.5 | Confident | 86 Ų | 86 | 60.9 Ų | 60.9 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 177.3 | -64.7 | -22.6 | 0 | 0 | 0 | 111.4 | E674 Y675 A676 W681 I682 | E674-N678 PolarHBondContact O-N 2.83Å; E674-N678 VanDerWaalsContact O-N 3.09Å; E674-N678 PolarHBondContact O-ND2 3.16Å; Y675-N678 WeakPolarHBondContact O-CB 3.49Å; Y675-N678 PolarHBondContact O-N 2.88Å; Y675-N678 VanDerWaalsContact O-N 3.09Å; A676-N678 VanDerWaalsContact C-N 3.33Å; N678-W681 WeakPolarHBondContact O-CB 3.12Å; N678-W681 PolarHBondContact O-N 3.22Å; N678-I682 WeakPolarHBondContact O-CG1 3.48Å; N678-I682 PolarHBondContact O-N 3.32Å |
| 679 | L | 84.8 | Confident | 79.7 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 174.5 | -65.5 | 178 | 0 | 0 | 0 | 111.9 | V668 Y675 A676 W681 I682 L683 V729 V732 | V668-L679 HydrophobicContact CG2-CD1 4.37Å; Y675-L679 HydrophobicContact CD1-CD1 3.85Å; Y675-L679 HydrophobicContact CD1-CG 4.06Å; Y675-L679 HydrophobicContact CE1-CD1 3.79Å; Y675-L679 HydrophobicContact CE1-CD2 4.03Å; Y675-L679 HydrophobicContact CE1-CG 3.98Å; Y675-L679 WeakPolarHBondContact O-CG 3.47Å; Y675-L679 PolarHBondContact O-N 3.26Å; A676-L679 PolarHBondContact O-N 3.4Å; L679-W681 VanDerWaalsContact C-N 3.32Å; L679-W681 PolarHBondContact O-N 3.36Å; L679-I682 PolarHBondContact O-N 3.4Å; L679-L683 PolarHBondContact O-N 2.87Å; L679-V729 HydrophobicContact CB-CG1 4.2Å; L679-V729 HydrophobicContact CD2-CG1 4.43Å; L679-V729 HydrophobicContact CD2-CG2 4.21Å; L679-V732 HydrophobicContact CD2-CG1 4.27Å |
| 680 | Q | 83.4 | Confident | 79.1 | Confident | 88 Ų | 88 | 70 Ų | 70 | 41% | 0.411 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.2 | -177.7 | 174.4 | 1.3 | 0 | 0 | 111.3 | Y665 A676 K677 I682 L683 D684 | Y665-Q680 HydrophobicContact CE2-CB 4.12Å; Y665-Q680 HydrophobicContact CE2-CG 4.39Å; A676-Q680 WeakPolarHBondContact O-CB 3.31Å; A676-Q680 PolarHBondContact O-N 2.96Å; K677-Q680 PolarHBondContact O-N 2.87Å; Q680-I682 VanDerWaalsContact C-N 3.32Å; Q680-I682 PolarHBondContact O-N 3.04Å; Q680-L683 WeakPolarHBondContact O-CB 3.37Å; Q680-L683 PolarHBondContact O-N 3.17Å; Q680-L683 VanDerWaalsContact O-N 3.08Å; Q680-D684 WeakPolarHBondContact CG-OD2 3.38Å; Q680-D684 PolarHBondContact O-N 2.97Å |
| 681 | W | 83.8 | Confident | 78.5 | Confident | 114 Ų | 114 | 72.9 Ų | 72.9 | 43% | 0.432 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 177.6 | -172.7 | 90.7 | 0 | 0 | 0 | 112.1 | K677 N678 L679 L683 D684 N685 L690 | K677-W681 WeakPolarHBondContact O-CB 3.48Å; K677-W681 PolarHBondContact O-N 2.79Å; N678-W681 WeakPolarHBondContact O-CB 3.12Å; N678-W681 PolarHBondContact O-N 3.22Å; L679-W681 VanDerWaalsContact C-N 3.32Å; L679-W681 PolarHBondContact O-N 3.36Å; W681-L683 VanDerWaalsContact C-N 3.29Å; W681-L683 PolarHBondContact O-N 3.05Å; W681-D684 PolarHBondContact O-N 2.94Å; W681-N685 HydrophobicContact CD2-CB 4.31Å; W681-N685 HydrophobicContact CH2-CB 4.46Å; W681-N685 HydrophobicContact CZ2-CB 4.17Å; W681-N685 PolarHBondContact NE1-ND2 3.44Å; W681-N685 WeakPolarHBondContact O-CB 3.43Å; W681-N685 PolarHBondContact O-N 3.2Å; W681-N685 PolarHBondContact O-ND2 3.05Å; W681-L690 HydrophobicContact CH2-CD1 3.31Å; W681-L690 HydrophobicContact CH2-CD2 4.02Å; W681-L690 HydrophobicContact CH2-CG 4.32Å; W681-L690 HydrophobicContact CZ3-CD1 3.58Å |
| 682 | I | 83.7 | Confident | 78.1 | Confident | 18 Ų | 18 | 74.5 Ų | 74.5 | 9% | 0.092 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 174.2 | -69.3 | 166 | 0 | 0 | 0 | 111 | N678 L679 Q680 I687 K725 V729 | N678-I682 WeakPolarHBondContact O-CG1 3.48Å; N678-I682 PolarHBondContact O-N 3.32Å; L679-I682 PolarHBondContact O-N 3.4Å; Q680-I682 VanDerWaalsContact C-N 3.32Å; Q680-I682 PolarHBondContact O-N 3.04Å; I682-I687 HydrophobicContact CG2-CG2 4.4Å; I682-K725 HydrophobicContact CG2-CB 4.06Å; I682-K725 HydrophobicContact CG2-CD 4.48Å; I682-K725 WeakPolarHBondContact O-CD 3.5Å; I682-K725 PolarHBondContact O-NZ 3.48Å; I682-V729 HydrophobicContact CG2-CG2 4.26Å |
| 683 | L | 83.9 | Confident | 77.7 | Confident | 47 Ų | 47 | 80 Ų | 80 | 25% | 0.246 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 177.7 | -67.3 | 175.1 | 0 | 0 | 0 | 111.8 | Y665 L679 Q680 W681 K725 A726 V729 | Y665-L683 HydrophobicContact CD1-CD1 3.88Å; Y665-L683 HydrophobicContact CD2-CD1 4.4Å; Y665-L683 HydrophobicContact CE1-CD1 3.72Å; Y665-L683 HydrophobicContact CE2-CD1 4.28Å; Y665-L683 HydrophobicContact CG-CD1 4.22Å; L679-L683 PolarHBondContact O-N 2.87Å; Q680-L683 WeakPolarHBondContact O-CB 3.37Å; Q680-L683 PolarHBondContact O-N 3.17Å; Q680-L683 VanDerWaalsContact O-N 3.08Å; W681-L683 VanDerWaalsContact C-N 3.29Å; W681-L683 PolarHBondContact O-N 3.05Å; L683-K725 PolarHBondContact O-NZ 2.88Å; L683-A726 HydrophobicContact CD2-CB 4.41Å; L683-V729 HydrophobicContact CD1-CG1 4.15Å; L683-V729 HydrophobicContact CD2-CB 4.28Å; L683-V729 HydrophobicContact CD2-CG2 4.01Å; L683-V729 HydrophobicContact CG-CG1 4.45Å; L683-V729 HydrophobicContact CG-CG2 4.13Å |
| 684 | D | 81.1 | Confident | 77.8 | Confident | 110 Ų | 110 | 80.4 Ų | 80.4 | 59% | 0.588 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -78.8 | -23.4 | -172.4 | -67.6 | -15.3 | 0 | 0 | 0 | 113.6 | Q680 W681 | Q680-D684 WeakPolarHBondContact CG-OD2 3.38Å; Q680-D684 PolarHBondContact O-N 2.97Å; W681-D684 PolarHBondContact O-N 2.94Å |
| 685 | N | 83 | Confident | 78.1 | Confident | 62 Ų | 62 | 75.2 Ų | 75.2 | 33% | 0.332 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -112.5 | 156.3 | -173.3 | -62.7 | -91.6 | 0 | 0 | 0 | 112.9 | W681 K725 | W681-N685 HydrophobicContact CD2-CB 4.31Å; W681-N685 HydrophobicContact CH2-CB 4.46Å; W681-N685 HydrophobicContact CZ2-CB 4.17Å; W681-N685 PolarHBondContact NE1-ND2 3.44Å; W681-N685 WeakPolarHBondContact O-CB 3.43Å; W681-N685 PolarHBondContact O-N 3.2Å; W681-N685 PolarHBondContact O-ND2 3.05Å; N685-K725 PolarHBondContact O-NZ 3.44Å |
| 686 | D | 80.6 | Confident | 78.4 | Confident | 96 Ų | 96 | 73.1 Ų | 73.1 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | trans | -77.8 | 125.9 | 171 | -169.4 | -10.7 | 0 | 0 | 0 | 109.8 | S688 Q722 | D686-S688 WeakPolarHBondContact OD1-CB 3.13Å; D686-S688 PolarHBondContact OD1-N 3.22Å; D686-S688 PolarHBondContact OD1-OG 2.84Å; D686-Q722 PolarHBondContact OD1-OE1 3.14Å | ||
| 687 | I | 80.8 | Confident | 78.6 | Confident | 17 Ų | 17 | 73.3 Ų | 73.3 | 9% | 0.087 | 39% | 0.392 | C | S | . | . | trans | -97.6 | -1 | -176.1 | 61.8 | 171.8 | 0 | 0 | 0 | 114.2 | I682 D689 L690 V720 K725 | I682-I687 HydrophobicContact CG2-CG2 4.4Å; I687-D689 PolarHBondContact O-N 3.36Å; I687-L690 HydrophobicContact CB-CD1 4.19Å; I687-L690 HydrophobicContact CG2-CD1 4.09Å; I687-V720 HydrophobicContact CD1-CG1 3.88Å; I687-K725 HydrophobicContact CD1-CB 3.96Å; I687-K725 HydrophobicContact CD1-CD 4.29Å; I687-K725 HydrophobicContact CG1-CD 4.49Å | ||
| 688 | S | 76.7 | Confident | 78.8 | Confident | 79 Ų | 79 | 67 Ų | 67 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -32.2 | -171.2 | -52.4 | 0 | 0 | 0 | 0 | 114.4 | D686 | D686-S688 WeakPolarHBondContact OD1-CB 3.13Å; D686-S688 PolarHBondContact OD1-N 3.22Å; D686-S688 PolarHBondContact OD1-OG 2.84Å |
| 689 | D | 64.7 | Low | 78.6 | Confident | 157 Ų | 157 | 68.8 Ų | 68.8 | 84% | 0.84 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 4.6 | -172.2 | -70.2 | -31 | 0 | 0 | 0 | 114.3 | I687 | I687-D689 PolarHBondContact O-N 3.36Š|
| 690 | L | 64.1 | Low | 77.9 | Confident | 79 Ų | 79 | 70 Ų | 70 | 41% | 0.414 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -88 | -11.1 | -170 | -66.3 | 167.7 | 0 | 0 | 0 | 114.8 | W681 I687 L692 | W681-L690 HydrophobicContact CH2-CD1 3.31Å; W681-L690 HydrophobicContact CH2-CD2 4.02Å; W681-L690 HydrophobicContact CH2-CG 4.32Å; W681-L690 HydrophobicContact CZ3-CD1 3.58Å; I687-L690 HydrophobicContact CB-CD1 4.19Å; I687-L690 HydrophobicContact CG2-CD1 4.09Å; L690-L692 HydrophobicContact CB-CD1 3.94Å; L690-L692 HydrophobicContact CB-CG 3.88Å; L690-L692 HydrophobicContact CD1-CD1 3.77Å; L690-L692 PolarHBondContact O-N 2.73Å |
| 691 | G | 61.3 | Low | 77.1 | Confident | 73 Ų | 73 | 70.5 Ų | 70.5 | 75% | 0.753 | 38% | 0.384 | S | S | * | . | trans | 63 | 22.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E693 | G691-E693 PolarHBondContact O-N 3.09Š| ||
| 692 | L | 66.6 | Low | 76.3 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 48% | 0.476 | 38% | 0.38 | S | S | . | . | trans | -76.2 | 106.9 | 175.8 | -66.4 | 170.1 | 0 | 0 | 0 | 109 | L690 L694 | L690-L692 HydrophobicContact CB-CD1 3.94Å; L690-L692 HydrophobicContact CB-CG 3.88Å; L690-L692 HydrophobicContact CD1-CD1 3.77Å; L690-L692 PolarHBondContact O-N 2.73Å; L692-L694 HydrophobicContact CB-CD1 4.14Å; L692-L694 HydrophobicContact CB-CG 4.11Å; L692-L694 HydrophobicContact CD1-CD1 4.29Å; L692-L694 PolarHBondContact O-N 3.45Å | ||
| 693 | E | 69.5 | Low | 75 | Confident | 180 Ų | 180 | 72.2 Ų | 72.2 | 84% | 0.841 | 40% | 0.399 | S | S | * | . | trans | -75.3 | 54.8 | 172.6 | -65.8 | -173.9 | 169 | 0 | 0 | 111.2 | G691 | G691-E693 PolarHBondContact O-N 3.09Š| ||
| 694 | L | 79.8 | Confident | 73.8 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 25% | 0.251 | 42% | 0.421 | S | S | . | . | trans | -76.3 | 128.1 | 177.1 | -71.1 | 168.7 | 0 | 0 | 0 | 110.1 | L692 L719 V720 | L692-L694 HydrophobicContact CB-CD1 4.14Å; L692-L694 HydrophobicContact CB-CG 4.11Å; L692-L694 HydrophobicContact CD1-CD1 4.29Å; L692-L694 PolarHBondContact O-N 3.45Å; L694-L719 WeakPolarHBondContact O-CA 3.01Å; L694-V720 HydrophobicContact CB-CB 3.92Å; L694-V720 HydrophobicContact CB-CG2 3.79Å; L694-V720 PolarHBondContact O-N 2.92Å | ||
| 695 | T | 86 | Confident | 73.1 | Confident | 35 Ų | 35 | 70.4 Ų | 70.4 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -109.8 | 165.8 | 172.5 | 50.2 | 0 | 0 | 0 | 0 | 111 | S697 I718 L719 Y728 | T695-S697 PolarHBondContact O-N 3.35Å; T695-S697 PolarHBondContact OG1-OG 3.09Å; T695-I718 CarbonylContact C-O 3.49Å; T695-I718 WeakPolarHBondContact CA-O 3.22Å; T695-L719 HydrophobicContact CG2-CD2 4.14Å; T695-Y728 VanDerWaalsContact O-CE2 3.29Å; T695-Y728 WeakPolarHBondContact O-CE2 3.45Å |
| 696 | F | 87.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -75.9 | 43.3 | 170.8 | -82.3 | -105.1 | 0 | 0 | 0 | 112.2 | L711 K712 G715 I718 V720 N724 E727 Y728 L731 | F696-L711 HydrophobicContact CB-CB 4.44Å; F696-L711 HydrophobicContact CD1-CB 4.44Å; F696-L711 HydrophobicContact CD1-CD1 4.3Å; F696-L711 WeakPolarHBondContact O-CB 3.34Å; F696-L711 PolarHBondContact O-N 3.4Å; F696-K712 HydrophobicContact CB-CG 4.2Å; F696-K712 HydrophobicContact CD1-CD 3.9Å; F696-K712 HydrophobicContact CD1-CG 4.12Å; F696-K712 HydrophobicContact CE1-CD 4.26Å; F696-K712 HydrophobicContact CG-CD 4.36Å; F696-K712 HydrophobicContact CG-CG 4.38Å; F696-G715 CarbonylContact C-O 3.44Å; F696-G715 WeakPolarHBondContact CA-O 3.41Å; F696-G715 PolarHBondContact N-O 3.22Å; F696-G715 CarbonylContact O-C 3.55Å; F696-G715 WeakPolarHBondContact O-CA 3.42Å; F696-I718 HydrophobicContact CB-CB 4.39Å; F696-I718 HydrophobicContact CD2-CB 4.09Å; F696-I718 HydrophobicContact CD2-CG2 3.64Å; F696-I718 HydrophobicContact CE2-CG2 4.01Å; F696-I718 HydrophobicContact CG-CG2 4.41Å; F696-I718 PolarHBondContact N-O 3.42Å; F696-V720 HydrophobicContact CD2-CG2 4.03Å; F696-V720 HydrophobicContact CE2-CG2 3.99Å; F696-N724 HydrophobicContact CE2-CB 4.39Å; F696-N724 HydrophobicContact CZ-CB 4.08Å; F696-E727 HydrophobicContact CE1-CB 4.47Å; F696-E727 HydrophobicContact CE1-CG 4.3Å; F696-Y728 HydrophobicContact CD1-CD2 4.16Å; F696-Y728 HydrophobicContact CD2-CD2 4.47Å; F696-Y728 HydrophobicContact CE1-CD2 4.34Å; F696-Y728 HydrophobicContact CG-CD2 4.25Å; F696-L731 HydrophobicContact CD1-CD1 4.04Å; F696-L731 HydrophobicContact CE1-CD1 4.05Å |
| 697 | S | 85.3 | Confident | 72.7 | Confident | 12 Ų | 12 | 73.7 Ų | 73.7 | 8% | 0.084 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.4 | 171.2 | 51.1 | 0 | 0 | 0 | 0 | 109.7 | T695 E708 V709 | T695-S697 PolarHBondContact O-N 3.35Å; T695-S697 PolarHBondContact OG1-OG 3.09Å; S697-E708 WeakPolarHBondContact CB-OE1 3.34Å; S697-E708 PolarHBondContact OG-OE1 2.81Å; S697-V709 WeakPolarHBondContact CA-O 3.19Å |
| 698 | V | 83.7 | Confident | 72.7 | Confident | 11 Ų | 11 | 78.4 Ų | 78.4 | 7% | 0.067 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.7 | -179.8 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | T700 V709 L711 V732 L735 | V698-T700 HydrophobicContact CG1-CG2 4.44Å; V698-V709 PolarHBondContact N-O 2.91Å; V698-V709 PolarHBondContact O-N 3.43Å; V698-L711 HydrophobicContact CG2-CD1 4.1Å; V698-L711 HydrophobicContact CG2-CD2 4Å; V698-L711 HydrophobicContact CG2-CG 4.19Å; V698-V732 HydrophobicContact CG2-CG2 3.91Å; V698-L735 HydrophobicContact CB-CD2 4.36Å |
| 699 | E | 80.2 | Confident | 73 | Confident | 125 Ų | 125 | 76.7 Ų | 76.7 | 58% | 0.584 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 126.9 | 170.2 | -60.7 | -177.6 | 171.1 | 0 | 0 | 110.1 | M706 E707 | E699-M706 HydrophobicContact CB-CE 3.72Å; E699-E707 CarbonylContact C-O 3.53Å; E699-E707 WeakPolarHBondContact CA-O 3.28Å |
| 700 | T | 70.6 | Confident | 74.1 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 18% | 0.178 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135.7 | 177.4 | 55.9 | 0 | 0 | 0 | 0 | 110.6 | V698 V702 E707 V709 L735 | V698-T700 HydrophobicContact CG1-CG2 4.44Å; T700-V702 PolarHBondContact O-N 3.49Å; T700-E707 PolarHBondContact N-O 2.9Å; T700-E707 PolarHBondContact O-N 3.2Å; T700-V709 WeakPolarHBondContact OG1-CG2 3.34Å; T700-L735 HydrophobicContact CG2-CD2 4.38Å |
| 701 | D | 67 | Low | 75.1 | Confident | 98 Ų | 98 | 69 Ų | 69 | 52% | 0.524 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 113.8 | 173.5 | -176.2 | -3.6 | 0 | 0 | 0 | 110 | G704 M706 | D701-G704 WeakPolarHBondContact OD1-CA 3.41Å; D701-G704 PolarHBondContact OD1-N 3.48Å; D701-M706 HydrophobicContact CB-SD 3.98Å |
| 702 | V | 65.6 | Low | 76.3 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 34% | 0.339 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 98.7 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | T700 G704 A705 | T700-V702 PolarHBondContact O-N 3.49Å; V702-G704 VanDerWaalsContact C-N 3.34Å; V702-G704 PolarHBondContact O-N 3.38Å; V702-A705 PolarHBondContact N-O 2.87Å; V702-A705 PolarHBondContact O-N 3.01Å; V702-A705 VanDerWaalsContact O-N 3.16Å |
| 703 | F | 56.9 | Low | 77.2 | Confident | 112 Ų | 112 | 69.4 Ų | 69.4 | 49% | 0.491 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 37.7 | 179.4 | -64 | -66.1 | 0 | 0 | 0 | 115.7 | N618 S620 V621 A705 | N618-F703 HydrophobicContact CB-CE1 3.65Å; N618-F703 HydrophobicContact CB-CZ 3.89Å; S620-F703 WeakPolarHBondContact OG-CZ 3.45Å; V621-F703 HydrophobicContact CG2-CD1 4.23Å; V621-F703 HydrophobicContact CG2-CE1 3.23Å; V621-F703 HydrophobicContact CG2-CZ 3.72Å; F703-A705 VanDerWaalsContact C-N 3.33Å |
| 704 | G | 59.8 | Low | 77.9 | Confident | 69 Ų | 69 | 63 Ų | 63 | 71% | 0.711 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 3.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D701 V702 | D701-G704 WeakPolarHBondContact OD1-CA 3.41Å; D701-G704 PolarHBondContact OD1-N 3.48Å; V702-G704 VanDerWaalsContact C-N 3.34Å; V702-G704 PolarHBondContact O-N 3.38Å |
| 705 | A | 64.8 | Low | 78.1 | Confident | 50 Ų | 50 | 60.7 Ų | 60.7 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V702 F703 E707 | V702-A705 PolarHBondContact N-O 2.87Å; V702-A705 PolarHBondContact O-N 3.01Å; V702-A705 VanDerWaalsContact O-N 3.16Å; F703-A705 VanDerWaalsContact C-N 3.33Å; A705-E707 PolarHBondContact O-N 2.86Å |
| 706 | M | 75.4 | Confident | 77.9 | Confident | 118 Ų | 118 | 62.3 Ų | 62.3 | 58% | 0.581 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 116.3 | 175.7 | -66.2 | -66.2 | -81.7 | 0 | 0 | 109.3 | E699 D701 | E699-M706 HydrophobicContact CB-CE 3.72Å; D701-M706 HydrophobicContact CB-SD 3.98Å |
| 707 | E | 79.6 | Confident | 77.7 | Confident | 109 Ų | 109 | 67 Ų | 67 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 137.1 | 175.3 | -65.4 | -169.5 | 167.3 | 0 | 0 | 110.6 | E699 T700 A705 | E699-E707 CarbonylContact C-O 3.53Å; E699-E707 WeakPolarHBondContact CA-O 3.28Å; T700-E707 PolarHBondContact N-O 2.9Å; T700-E707 PolarHBondContact O-N 3.2Å; A705-E707 PolarHBondContact O-N 2.86Å |
| 708 | E | 81.6 | Confident | 77.7 | Confident | 116 Ų | 116 | 69 Ų | 69 | 54% | 0.542 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 115.9 | 174.7 | -171.2 | -173.9 | -174.4 | 0 | 0 | 110.1 | S697 | S697-E708 WeakPolarHBondContact CB-OE1 3.34Å; S697-E708 PolarHBondContact OG-OE1 2.81Å |
| 709 | V | 83.3 | Confident | 77.8 | Confident | 42 Ų | 42 | 73.4 Ų | 73.4 | 26% | 0.255 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119 | -178.9 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | S697 V698 T700 L735 | S697-V709 WeakPolarHBondContact CA-O 3.19Å; V698-V709 PolarHBondContact N-O 2.91Å; V698-V709 PolarHBondContact O-N 3.43Å; T700-V709 WeakPolarHBondContact OG1-CG2 3.34Å; V709-L735 HydrophobicContact CB-CD2 4.34Å; V709-L735 HydrophobicContact CG1-CD1 4.05Å; V709-L735 HydrophobicContact CG1-CD2 4.19Å |
| 710 | P | 86.4 | Confident | 78 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 46% | 0.461 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 130.7 | 174.8 | 29.2 | -33 | 0 | 0 | 0 | 110.9 | ||
| 711 | L | 85.5 | Confident | 78.7 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -72.1 | -32.1 | 179.5 | -62.9 | 175.3 | 0 | 0 | 0 | 112.7 | F696 V698 Y728 L731 V732 L735 R739 | F696-L711 HydrophobicContact CB-CB 4.44Å; F696-L711 HydrophobicContact CD1-CB 4.44Å; F696-L711 HydrophobicContact CD1-CD1 4.3Å; F696-L711 WeakPolarHBondContact O-CB 3.34Å; F696-L711 PolarHBondContact O-N 3.4Å; V698-L711 HydrophobicContact CG2-CD1 4.1Å; V698-L711 HydrophobicContact CG2-CD2 4Å; V698-L711 HydrophobicContact CG2-CG 4.19Å; L711-Y728 HydrophobicContact CD1-CD2 3.73Å; L711-Y728 HydrophobicContact CD1-CE2 3.69Å; L711-L731 HydrophobicContact CB-CB 4.06Å; L711-L731 HydrophobicContact CB-CD1 4.29Å; L711-L731 HydrophobicContact CD1-CB 4.3Å; L711-L731 HydrophobicContact CD2-CB 4.49Å; L711-V732 HydrophobicContact CD1-CG2 3.47Å; L711-V732 VanDerWaalsContact CD1-CG2 3.47Å; L711-V732 HydrophobicContact CD2-CG2 4.24Å; L711-V732 HydrophobicContact CG-CG2 4.5Å; L711-L735 HydrophobicContact CD2-CB 4.02Å; L711-L735 HydrophobicContact CD2-CD2 3.62Å; L711-L735 HydrophobicContact CD2-CG 4.42Å; L711-R739 PolarHBondContact O-NH1 3.07Å |
| 712 | K | 86.5 | Confident | 79.5 | Confident | 45 Ų | 45 | 68.6 Ų | 68.6 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -143.1 | 164.4 | 177.3 | 66.1 | -179.3 | 172.3 | -170.4 | 0 | 111 | F696 G714 G715 I718 E727 L731 | F696-K712 HydrophobicContact CB-CG 4.2Å; F696-K712 HydrophobicContact CD1-CD 3.9Å; F696-K712 HydrophobicContact CD1-CG 4.12Å; F696-K712 HydrophobicContact CE1-CD 4.26Å; F696-K712 HydrophobicContact CG-CD 4.36Å; F696-K712 HydrophobicContact CG-CG 4.38Å; K712-G714 PolarHBondContact O-N 2.97Å; K712-G715 WeakPolarHBondContact O-CA 3.34Å; K712-G715 PolarHBondContact O-N 2.9Å; K712-I718 HydrophobicContact CD-CD1 4.25Å; K712-I718 HydrophobicContact CG-CD1 4.18Å; K712-E727 VanDerWaalsContact NZ-CD 3.26Å; K712-E727 IonicContact NZ-OE1 2.8Å; K712-E727 PolarHBondContact NZ-OE1 3.07Å; K712-E727 IonicContact NZ-OE2 3.04Å; K712-E727 PolarHBondContact NZ-OE2 3.13Å; K712-L731 HydrophobicContact CB-CD1 4.33Å; K712-L731 HydrophobicContact CD-CD1 4.34Å |
| 713 | P | 86.2 | Confident | 80.5 | Confident | 128 Ų | 128 | 73.6 Ų | 73.6 | 83% | 0.831 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 124 | -179 | -26.2 | 35.4 | 0 | 0 | 0 | 112 | G715 | P713-G715 VanDerWaalsContact C-N 3.31Š|
| 714 | G | 83.9 | Confident | 82 | Confident | 44 Ų | 44 | 69.5 Ų | 69.5 | 45% | 0.454 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 14.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K712 S716 S717 | K712-G714 PolarHBondContact O-N 2.97Å; G714-S716 VanDerWaalsContact C-N 3.26Å; G714-S716 PolarHBondContact O-N 3.05Å; G714-S716 VanDerWaalsContact O-N 3.11Å; G714-S717 PolarHBondContact O-N 2.78Å; G714-S717 PolarHBondContact O-OG 3.23Å |
| 715 | G | 84.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -53.5 | -32.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | F696 K712 P713 S717 I718 | F696-G715 CarbonylContact C-O 3.44Å; F696-G715 WeakPolarHBondContact CA-O 3.41Å; F696-G715 PolarHBondContact N-O 3.22Å; F696-G715 CarbonylContact O-C 3.55Å; F696-G715 WeakPolarHBondContact O-CA 3.42Å; K712-G715 WeakPolarHBondContact O-CA 3.34Å; K712-G715 PolarHBondContact O-N 2.9Å; P713-G715 VanDerWaalsContact C-N 3.31Å; G715-S717 PolarHBondContact O-N 2.97Å; G715-S717 VanDerWaalsContact O-N 3.15Å; G715-I718 PolarHBondContact O-N 2.75Å; G715-I718 VanDerWaalsContact O-N 3.15Å |
| 716 | S | 82.1 | Confident | 84.3 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 49% | 0.49 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -64.7 | -14.5 | 175.8 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | G714 | G714-S716 VanDerWaalsContact C-N 3.26Å; G714-S716 PolarHBondContact O-N 3.05Å; G714-S716 VanDerWaalsContact O-N 3.11Å |
| 717 | S | 82.3 | Confident | 84.9 | Confident | 98 Ų | 98 | 65.8 Ų | 65.8 | 69% | 0.685 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -105.6 | -4.9 | 176.9 | 65.3 | 0 | 0 | 0 | 0 | 114.2 | G714 G715 | G714-S717 PolarHBondContact O-N 2.78Å; G714-S717 PolarHBondContact O-OG 3.23Å; G715-S717 PolarHBondContact O-N 2.97Å; G715-S717 VanDerWaalsContact O-N 3.15Å |
| 718 | I | 86.4 | Confident | 85.3 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 28% | 0.277 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -102.6 | 116.5 | -175.2 | -57 | 173 | 0 | 0 | 0 | 108.7 | T695 F696 K712 G715 | T695-I718 CarbonylContact C-O 3.49Å; T695-I718 WeakPolarHBondContact CA-O 3.22Å; F696-I718 HydrophobicContact CB-CB 4.39Å; F696-I718 HydrophobicContact CD2-CB 4.09Å; F696-I718 HydrophobicContact CD2-CG2 3.64Å; F696-I718 HydrophobicContact CE2-CG2 4.01Å; F696-I718 HydrophobicContact CG-CG2 4.41Å; F696-I718 PolarHBondContact N-O 3.42Å; K712-I718 HydrophobicContact CD-CD1 4.25Å; K712-I718 HydrophobicContact CG-CD1 4.18Å; G715-I718 PolarHBondContact O-N 2.75Å; G715-I718 VanDerWaalsContact O-N 3.15Å |
| 719 | L | 84.3 | Confident | 85.5 | Confident | 103 Ų | 103 | 56 Ų | 56 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -76.4 | 144.9 | 176.6 | -69 | 170.9 | 0 | 0 | 0 | 112.1 | L694 T695 N724 | L694-L719 WeakPolarHBondContact O-CA 3.01Å; T695-L719 HydrophobicContact CG2-CD2 4.14Å; L719-N724 PolarHBondContact O-ND2 3.39Å |
| 720 | V | 85.3 | Confident | 85.6 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 10% | 0.097 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 124.5 | 171 | -174.1 | 0 | 0 | 0 | 0 | 109 | I687 L694 F696 N724 K725 Y728 | I687-V720 HydrophobicContact CD1-CG1 3.88Å; L694-V720 HydrophobicContact CB-CB 3.92Å; L694-V720 HydrophobicContact CB-CG2 3.79Å; L694-V720 PolarHBondContact O-N 2.92Å; F696-V720 HydrophobicContact CD2-CG2 4.03Å; F696-V720 HydrophobicContact CE2-CG2 3.99Å; V720-N724 VanDerWaalsContact CA-OD1 3.29Å; V720-N724 WeakPolarHBondContact CA-OD1 3.46Å; V720-K725 HydrophobicContact CG1-CB 4.14Å; V720-Y728 HydrophobicContact CG1-CD1 4.35Å; V720-Y728 HydrophobicContact CG1-CG 4.13Å; V720-Y728 HydrophobicContact CG2-CD1 4.29Å; V720-Y728 HydrophobicContact CG2-CD2 3.44Å; V720-Y728 VanDerWaalsContact CG2-CD2 3.44Å; V720-Y728 HydrophobicContact CG2-CE2 3.83Å; V720-Y728 HydrophobicContact CG2-CG 3.7Å |
| 721 | T | 85.8 | Confident | 85.6 | Confident | 65 Ų | 65 | 58 Ų | 58 | 40% | 0.399 | 34% | 0.338 | S | S | . | . | trans | -124.2 | 168.4 | -179 | 69.2 | 0 | 0 | 0 | 0 | 110.1 | D723 N724 K725 | T721-D723 PolarHBondContact O-N 2.85Å; T721-D723 VanDerWaalsContact O-N 3.17Å; T721-N724 PolarHBondContact N-OD1 3.48Å; T721-N724 PolarHBondContact O-N 3.44Å; T721-N724 VanDerWaalsContact O-N 3.12Å; T721-N724 PolarHBondContact O-OD1 3.05Å; T721-N724 PolarHBondContact OG1-ND2 3.03Å; T721-K725 WeakPolarHBondContact O-CB 3.38Å; T721-K725 PolarHBondContact O-N 3.15Å | ||
| 722 | Q | 84.1 | Confident | 85.6 | Confident | 71 Ų | 71 | 57.8 Ų | 57.8 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -33.9 | 179 | -170.5 | 65.4 | 5.4 | 0 | 0 | 113.1 | D686 K725 | D686-Q722 PolarHBondContact OD1-OE1 3.14Å; Q722-K725 WeakPolarHBondContact O-CG 3.33Å |
| 723 | D | 85.8 | Confident | 85.5 | Confident | 160 Ų | 160 | 55.8 Ų | 55.8 | 86% | 0.856 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -26.9 | -179.1 | -62.6 | -35.2 | 0 | 0 | 0 | 113.4 | T721 | T721-D723 PolarHBondContact O-N 2.85Å; T721-D723 VanDerWaalsContact O-N 3.17Å |
| 724 | N | 88.6 | Confident | 85.4 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -1.8 | -173.6 | 74.8 | 24.4 | 0 | 0 | 0 | 113.9 | F696 L719 V720 T721 A726 E727 Y728 | F696-N724 HydrophobicContact CE2-CB 4.39Å; F696-N724 HydrophobicContact CZ-CB 4.08Å; L719-N724 PolarHBondContact O-ND2 3.39Å; V720-N724 VanDerWaalsContact CA-OD1 3.29Å; V720-N724 WeakPolarHBondContact CA-OD1 3.46Å; T721-N724 PolarHBondContact N-OD1 3.48Å; T721-N724 PolarHBondContact O-N 3.44Å; T721-N724 VanDerWaalsContact O-N 3.12Å; T721-N724 PolarHBondContact O-OD1 3.05Å; T721-N724 PolarHBondContact OG1-ND2 3.03Å; N724-A726 PolarHBondContact O-N 2.93Å; N724-E727 WeakPolarHBondContact O-CB 3.39Å; N724-E727 PolarHBondContact O-N 3.46Å; N724-E727 VanDerWaalsContact O-N 3.08Å; N724-Y728 PolarHBondContact O-N 2.87Å |
| 725 | K | 86.9 | Confident | 85.4 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 8% | 0.078 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.6 | -33.1 | -178.3 | 70.9 | -176.2 | -170.3 | 158.4 | 0 | 113.8 | I682 L683 N685 I687 V720 T721 Q722 Y728 V729 | I682-K725 HydrophobicContact CG2-CB 4.06Å; I682-K725 HydrophobicContact CG2-CD 4.48Å; I682-K725 WeakPolarHBondContact O-CD 3.5Å; I682-K725 PolarHBondContact O-NZ 3.48Å; L683-K725 PolarHBondContact O-NZ 2.88Å; N685-K725 PolarHBondContact O-NZ 3.44Å; I687-K725 HydrophobicContact CD1-CB 3.96Å; I687-K725 HydrophobicContact CD1-CD 4.29Å; I687-K725 HydrophobicContact CG1-CD 4.49Å; V720-K725 HydrophobicContact CG1-CB 4.14Å; T721-K725 WeakPolarHBondContact O-CB 3.38Å; T721-K725 PolarHBondContact O-N 3.15Å; Q722-K725 WeakPolarHBondContact O-CG 3.33Å; K725-Y728 PolarHBondContact O-N 3.26Å; K725-V729 VanDerWaalsContact O-CG2 3.32Å; K725-V729 WeakPolarHBondContact O-CG2 3.29Å; K725-V729 PolarHBondContact O-N 2.99Å |
| 726 | A | 85.7 | Confident | 85.2 | Confident | 61 Ų | 61 | 56 Ų | 56 | 50% | 0.504 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L683 N724 V729 Q730 | L683-A726 HydrophobicContact CD2-CB 4.41Å; N724-A726 PolarHBondContact O-N 2.93Å; A726-V729 PolarHBondContact O-N 3.46Å; A726-Q730 PolarHBondContact O-N 2.87Å |
| 727 | E | 87.9 | Confident | 85.2 | Confident | 80 Ų | 80 | 52.9 Ų | 52.9 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.4 | -171.4 | -160.1 | 160.5 | 0 | 0 | 110.8 | F696 K712 N724 Q730 L731 | F696-E727 HydrophobicContact CE1-CB 4.47Å; F696-E727 HydrophobicContact CE1-CG 4.3Å; K712-E727 VanDerWaalsContact NZ-CD 3.26Å; K712-E727 IonicContact NZ-OE1 2.8Å; K712-E727 PolarHBondContact NZ-OE1 3.07Å; K712-E727 IonicContact NZ-OE2 3.04Å; K712-E727 PolarHBondContact NZ-OE2 3.13Å; N724-E727 WeakPolarHBondContact O-CB 3.39Å; N724-E727 PolarHBondContact O-N 3.46Å; N724-E727 VanDerWaalsContact O-N 3.08Å; E727-Q730 PolarHBondContact O-N 2.85Å; E727-L731 HydrophobicContact CG-CD1 4.13Å; E727-L731 WeakPolarHBondContact O-CG 3.42Å; E727-L731 PolarHBondContact O-N 3.36Å |
| 728 | Y | 88 | Confident | 85.3 | Confident | 15 Ų | 15 | 49 Ų | 49 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.8 | -53.2 | 175.1 | 174.6 | -100.1 | 0 | 0 | 0 | 111.3 | T695 F696 L711 V720 N724 K725 Q730 L731 V732 | T695-Y728 VanDerWaalsContact O-CE2 3.29Å; T695-Y728 WeakPolarHBondContact O-CE2 3.45Å; F696-Y728 HydrophobicContact CD1-CD2 4.16Å; F696-Y728 HydrophobicContact CD2-CD2 4.47Å; F696-Y728 HydrophobicContact CE1-CD2 4.34Å; F696-Y728 HydrophobicContact CG-CD2 4.25Å; L711-Y728 HydrophobicContact CD1-CD2 3.73Å; L711-Y728 HydrophobicContact CD1-CE2 3.69Å; V720-Y728 HydrophobicContact CG1-CD1 4.35Å; V720-Y728 HydrophobicContact CG1-CG 4.13Å; V720-Y728 HydrophobicContact CG2-CD1 4.29Å; V720-Y728 HydrophobicContact CG2-CD2 3.44Å; V720-Y728 VanDerWaalsContact CG2-CD2 3.44Å; V720-Y728 HydrophobicContact CG2-CE2 3.83Å; V720-Y728 HydrophobicContact CG2-CG 3.7Å; N724-Y728 PolarHBondContact O-N 2.87Å; K725-Y728 PolarHBondContact O-N 3.26Å; Y728-Q730 VanDerWaalsContact C-N 3.29Å; Y728-Q730 PolarHBondContact O-N 2.9Å; Y728-L731 PolarHBondContact O-N 3.43Å; Y728-V732 HydrophobicContact CD1-CG2 4.22Å; Y728-V732 HydrophobicContact CD2-CG2 4.12Å; Y728-V732 HydrophobicContact CE1-CG2 3.85Å; Y728-V732 HydrophobicContact CE2-CG2 3.74Å; Y728-V732 HydrophobicContact CG-CG2 4.34Å; Y728-V732 WeakPolarHBondContact O-CB 3.47Å; Y728-V732 VanDerWaalsContact O-CG2 3.27Å; Y728-V732 WeakPolarHBondContact O-CG2 3.44Å; Y728-V732 PolarHBondContact O-N 2.98Å |
| 729 | V | 86.6 | Confident | 85.2 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 179.9 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | Y665 L679 I682 L683 K725 A726 T733 | Y665-V729 HydrophobicContact CG-CG1 4.23Å; L679-V729 HydrophobicContact CB-CG1 4.2Å; L679-V729 HydrophobicContact CD2-CG1 4.43Å; L679-V729 HydrophobicContact CD2-CG2 4.21Å; I682-V729 HydrophobicContact CG2-CG2 4.26Å; L683-V729 HydrophobicContact CD1-CG1 4.15Å; L683-V729 HydrophobicContact CD2-CB 4.28Å; L683-V729 HydrophobicContact CD2-CG2 4.01Å; L683-V729 HydrophobicContact CG-CG1 4.45Å; L683-V729 HydrophobicContact CG-CG2 4.13Å; K725-V729 VanDerWaalsContact O-CG2 3.32Å; K725-V729 WeakPolarHBondContact O-CG2 3.29Å; K725-V729 PolarHBondContact O-N 2.99Å; A726-V729 PolarHBondContact O-N 3.46Å; V729-T733 WeakPolarHBondContact O-CB 3.39Å; V729-T733 PolarHBondContact O-N 3.38Å; V729-T733 PolarHBondContact O-OG1 3.26Å |
| 730 | Q | 85.7 | Confident | 85 | Confident | 132 Ų | 132 | 48.6 Ų | 48.6 | 62% | 0.617 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.8 | -48.7 | 176.6 | -175.4 | 179.5 | 3.4 | 0 | 0 | 112.1 | A726 E727 Y728 T733 E734 | A726-Q730 PolarHBondContact O-N 2.87Å; E727-Q730 PolarHBondContact O-N 2.85Å; Y728-Q730 VanDerWaalsContact C-N 3.29Å; Y728-Q730 PolarHBondContact O-N 2.9Å; Q730-T733 WeakPolarHBondContact O-CB 3.24Å; Q730-T733 PolarHBondContact O-N 3.28Å; Q730-E734 PolarHBondContact O-N 3.43Å |
| 731 | L | 85.7 | Confident | 85.1 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.5 | -36.9 | -178.2 | -70.2 | 173.8 | 0 | 0 | 0 | 112.6 | F696 L711 K712 E727 Y728 T733 E734 L735 | F696-L731 HydrophobicContact CD1-CD1 4.04Å; F696-L731 HydrophobicContact CE1-CD1 4.05Å; L711-L731 HydrophobicContact CB-CB 4.06Å; L711-L731 HydrophobicContact CB-CD1 4.29Å; L711-L731 HydrophobicContact CD1-CB 4.3Å; L711-L731 HydrophobicContact CD2-CB 4.49Å; K712-L731 HydrophobicContact CB-CD1 4.33Å; K712-L731 HydrophobicContact CD-CD1 4.34Å; E727-L731 HydrophobicContact CG-CD1 4.13Å; E727-L731 WeakPolarHBondContact O-CG 3.42Å; E727-L731 PolarHBondContact O-N 3.36Å; Y728-L731 PolarHBondContact O-N 3.43Å; L731-T733 VanDerWaalsContact C-N 3.32Å; L731-E734 PolarHBondContact O-N 3.2Å; L731-L735 WeakPolarHBondContact O-CB 3.32Å; L731-L735 PolarHBondContact O-N 2.81Å |
| 732 | V | 85.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 172.5 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | Y675 L679 V698 L711 Y728 L735 R736 | Y675-V732 HydrophobicContact CE1-CG1 3.71Å; Y675-V732 WeakPolarHBondContact OH-CG1 3.45Å; L679-V732 HydrophobicContact CD2-CG1 4.27Å; V698-V732 HydrophobicContact CG2-CG2 3.91Å; L711-V732 HydrophobicContact CD1-CG2 3.47Å; L711-V732 VanDerWaalsContact CD1-CG2 3.47Å; L711-V732 HydrophobicContact CD2-CG2 4.24Å; L711-V732 HydrophobicContact CG-CG2 4.5Å; Y728-V732 HydrophobicContact CD1-CG2 4.22Å; Y728-V732 HydrophobicContact CD2-CG2 4.12Å; Y728-V732 HydrophobicContact CE1-CG2 3.85Å; Y728-V732 HydrophobicContact CE2-CG2 3.74Å; Y728-V732 HydrophobicContact CG-CG2 4.34Å; Y728-V732 WeakPolarHBondContact O-CB 3.47Å; Y728-V732 VanDerWaalsContact O-CG2 3.27Å; Y728-V732 WeakPolarHBondContact O-CG2 3.44Å; Y728-V732 PolarHBondContact O-N 2.98Å; V732-L735 PolarHBondContact O-N 2.78Å; V732-R736 PolarHBondContact O-N 2.95Å; V732-R736 VanDerWaalsContact O-N 3.09Å |
| 733 | T | 85.1 | Confident | 85.5 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 176.8 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | V663 S664 V668 V729 Q730 L731 L735 R736 M737 | V663-T733 HydrophobicContact CG2-CG2 4.22Å; S664-T733 WeakPolarHBondContact O-CG2 3.4Å; V668-T733 HydrophobicContact CG2-CG2 3.86Å; V729-T733 WeakPolarHBondContact O-CB 3.39Å; V729-T733 PolarHBondContact O-N 3.38Å; V729-T733 PolarHBondContact O-OG1 3.26Å; Q730-T733 WeakPolarHBondContact O-CB 3.24Å; Q730-T733 PolarHBondContact O-N 3.28Å; L731-T733 VanDerWaalsContact C-N 3.32Å; T733-L735 VanDerWaalsContact C-N 3.34Å; T733-L735 PolarHBondContact O-N 3.14Å; T733-R736 PolarHBondContact O-N 3.25Å; T733-M737 HydrophobicContact CG2-CG 4.08Å; T733-M737 VanDerWaalsContact O-CB 3.28Å; T733-M737 WeakPolarHBondContact O-CB 3.4Å; T733-M737 VanDerWaalsContact O-CG 3.23Å; T733-M737 WeakPolarHBondContact O-CG 3.49Å; T733-M737 PolarHBondContact O-N 3.41Å |
| 734 | E | 84.6 | Confident | 85.9 | Confident | 65 Ų | 65 | 41.4 Ų | 41.4 | 30% | 0.304 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 178.4 | -166.9 | -160.9 | 140.3 | 0 | 0 | 112.1 | Q730 L731 T738 R739 | Q730-E734 PolarHBondContact O-N 3.43Å; L731-E734 PolarHBondContact O-N 3.2Å; E734-T738 WeakPolarHBondContact O-CA 3.36Å; E734-T738 WeakPolarHBondContact O-CB 3.16Å; E734-T738 PolarHBondContact O-N 3.12Å; E734-R739 VanDerWaalsContact CD-NH2 3.33Å; E734-R739 HydrophobicContact CG-CG 4.39Å; E734-R739 PolarHBondContact O-N 2.74Å; E734-R739 IonicContact OE1-CZ 2.81Å; E734-R739 IonicContact OE1-NE 2.62Å; E734-R739 PolarHBondContact OE1-NE 3.43Å; E734-R739 IonicContact OE1-NH2 2.61Å; E734-R739 PolarHBondContact OE1-NH2 3.41Å; E734-R739 IonicContact OE2-CZ 3.61Å; E734-R739 IonicContact OE2-NH2 3.02Å; E734-R739 PolarHBondContact OE2-NH2 3.42Å; E734-R739 VanDerWaalsContact OE2-NH2 3.16Å |
| 735 | L | 83.6 | Confident | 86.1 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.7 | -51.6 | 177.2 | 177.4 | 65.2 | 0 | 0 | 0 | 111.1 | V698 T700 V709 L711 L731 V732 T733 R739 A740 | V698-L735 HydrophobicContact CB-CD2 4.36Å; T700-L735 HydrophobicContact CG2-CD2 4.38Å; V709-L735 HydrophobicContact CB-CD2 4.34Å; V709-L735 HydrophobicContact CG1-CD1 4.05Å; V709-L735 HydrophobicContact CG1-CD2 4.19Å; L711-L735 HydrophobicContact CD2-CB 4.02Å; L711-L735 HydrophobicContact CD2-CD2 3.62Å; L711-L735 HydrophobicContact CD2-CG 4.42Å; L731-L735 WeakPolarHBondContact O-CB 3.32Å; L731-L735 PolarHBondContact O-N 2.81Å; V732-L735 PolarHBondContact O-N 2.78Å; T733-L735 VanDerWaalsContact C-N 3.34Å; T733-L735 PolarHBondContact O-N 3.14Å; L735-R739 HydrophobicContact CD1-CB 4.09Å; L735-A740 PolarHBondContact O-N 3.43Å |
| 736 | R | 80.4 | Confident | 86.5 | Confident | 94 Ų | 94 | 43.5 Ų | 43.5 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -72.4 | -38.3 | -174.2 | -71.4 | -172 | 176 | -82.1 | -4.2 | 113.2 | Y675 V732 T733 | Y675-R736 PolarHBondContact OH-NE 2.95Å; V732-R736 PolarHBondContact O-N 2.95Å; V732-R736 VanDerWaalsContact O-N 3.09Å; T733-R736 PolarHBondContact O-N 3.25Å |
| 737 | M | 81.6 | Confident | 86.9 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -95.4 | -19.2 | -172.4 | -56.9 | -61.5 | -67.3 | 0 | 0 | 113.6 | S653 H657 V663 D667 V668 I671 T733 I741 | S653-M737 WeakPolarHBondContact OG-CE 3.27Å; H657-M737 PolarHBondContact NE2-O 3.07Å; V663-M737 HydrophobicContact CG2-CB 4.02Å; D667-M737 HydrophobicContact CB-CE 4.24Å; V668-M737 HydrophobicContact CG2-CG 4.07Å; V668-M737 HydrophobicContact CG2-SD 4.1Å; I671-M737 HydrophobicContact CD1-CE 3.51Å; I671-M737 HydrophobicContact CD1-SD 3.2Å; I671-M737 WeakPolarHBondContact CD1-SD 3.27Å; I671-M737 HydrophobicContact CG1-CE 3.89Å; I671-M737 HydrophobicContact CG1-SD 3.82Å; T733-M737 HydrophobicContact CG2-CG 4.08Å; T733-M737 VanDerWaalsContact O-CB 3.28Å; T733-M737 WeakPolarHBondContact O-CB 3.4Å; T733-M737 VanDerWaalsContact O-CG 3.23Å; T733-M737 WeakPolarHBondContact O-CG 3.49Å; T733-M737 PolarHBondContact O-N 3.41Å; M737-I741 WeakPolarHBondContact O-CD1 3.42Å |
| 738 | T | 83.5 | Confident | 87.3 | Confident | 18 Ų | 18 | 37.2 Ų | 37.2 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | -62.4 | -168.3 | -43 | 0 | 0 | 0 | 0 | 111.8 | H657 E734 A740 I741 Q742 | H657-T738 PolarHBondContact CE1-OG1 3.38Å; E734-T738 WeakPolarHBondContact O-CA 3.36Å; E734-T738 WeakPolarHBondContact O-CB 3.16Å; E734-T738 PolarHBondContact O-N 3.12Å; T738-A740 VanDerWaalsContact C-N 3.33Å; T738-A740 PolarHBondContact O-N 2.97Å; T738-I741 CarbonylContact O-C 3.53Å; T738-I741 PolarHBondContact O-N 2.89Å; T738-I741 VanDerWaalsContact O-N 3.11Å; T738-Q742 VanDerWaalsContact CG2-OE1 3.3Å; T738-Q742 PolarHBondContact O-N 3.27Å |
| 739 | R | 83.9 | Confident | 87.7 | Confident | 96 Ų | 96 | 38 Ų | 38 | 36% | 0.362 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -61.9 | -39.6 | -170.6 | -63.1 | -176.1 | -178.8 | 172 | 6.4 | 112.7 | L711 E734 L735 I741 | L711-R739 PolarHBondContact O-NH1 3.07Å; E734-R739 VanDerWaalsContact CD-NH2 3.33Å; E734-R739 HydrophobicContact CG-CG 4.39Å; E734-R739 PolarHBondContact O-N 2.74Å; E734-R739 IonicContact OE1-CZ 2.81Å; E734-R739 IonicContact OE1-NE 2.62Å; E734-R739 PolarHBondContact OE1-NE 3.43Å; E734-R739 IonicContact OE1-NH2 2.61Å; E734-R739 PolarHBondContact OE1-NH2 3.41Å; E734-R739 IonicContact OE2-CZ 3.61Å; E734-R739 IonicContact OE2-NH2 3.02Å; E734-R739 PolarHBondContact OE2-NH2 3.42Å; E734-R739 VanDerWaalsContact OE2-NH2 3.16Å; L735-R739 HydrophobicContact CD1-CB 4.09Å; R739-I741 PolarHBondContact O-N 3.37Å |
| 740 | A | 80 | Confident | 88.1 | Confident | 51 Ų | 51 | 43.5 Ų | 43.5 | 42% | 0.421 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -64.7 | -23.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L735 T738 | L735-A740 PolarHBondContact O-N 3.43Å; T738-A740 VanDerWaalsContact C-N 3.33Å; T738-A740 PolarHBondContact O-N 2.97Å |
| 741 | I | 87.4 | Confident | 88.4 | Confident | 15 Ų | 15 | 37.2 Ų | 37.2 | 8% | 0.077 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -123 | 14 | -176 | 54.7 | 164.8 | 0 | 0 | 0 | 113.2 | P615 M737 T738 R739 Q744 I745 | P615-I741 HydrophobicContact CB-CB 4.3Å; P615-I741 HydrophobicContact CB-CD1 3.96Å; P615-I741 HydrophobicContact CB-CG2 4.27Å; P615-I741 HydrophobicContact CG-CD1 3.97Å; M737-I741 WeakPolarHBondContact O-CD1 3.42Å; T738-I741 CarbonylContact O-C 3.53Å; T738-I741 PolarHBondContact O-N 2.89Å; T738-I741 VanDerWaalsContact O-N 3.11Å; R739-I741 PolarHBondContact O-N 3.37Å; I741-Q744 VanDerWaalsContact CA-OE1 3.26Å; I741-Q744 WeakPolarHBondContact O-CB 3.41Å; I741-Q744 PolarHBondContact O-N 3.07Å; I741-Q744 VanDerWaalsContact O-N 3.16Å; I741-Q744 PolarHBondContact O-OE1 3.41Å; I741-Q744 VanDerWaalsContact O-OE1 3.12Å; I741-I745 HydrophobicContact CD1-CD1 3.79Å; I741-I745 HydrophobicContact CD1-CG1 4.23Å; I741-I745 HydrophobicContact CG1-CD1 3.76Å; I741-I745 HydrophobicContact CG1-CG1 4.34Å; I741-I745 WeakPolarHBondContact O-CG1 3.23Å; I741-I745 PolarHBondContact O-N 3.14Å |
| 742 | Q | 88.7 | Confident | 88.9 | Confident | 69 Ų | 69 | 36.1 Ų | 36.1 | 32% | 0.322 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.9 | -44.3 | -174.7 | -171.9 | 71.6 | 61.1 | 0 | 0 | 113.4 | T738 Q744 I745 N746 | T738-Q742 VanDerWaalsContact CG2-OE1 3.3Å; T738-Q742 PolarHBondContact O-N 3.27Å; Q742-Q744 VanDerWaalsContact C-N 3.28Å; Q742-Q744 PolarHBondContact O-N 3.46Å; Q742-I745 PolarHBondContact O-N 2.8Å; Q742-N746 PolarHBondContact NE2-OD1 3.39Å; Q742-N746 WeakPolarHBondContact O-CB 3.45Å; Q742-N746 PolarHBondContact O-N 3.23Å; Q742-N746 PolarHBondContact O-ND2 2.84Å; Q742-N746 PolarHBondContact O-OD1 2.95Å |
| 743 | P | 90.8 | Very high | 89.2 | Confident | 70 Ų | 70 | 38.7 Ų | 38.7 | 46% | 0.455 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.9 | -40 | 175.7 | -25.5 | 35.1 | 0 | 0 | 0 | 113.2 | L626 N746 A747 | L626-P743 HydrophobicContact CD2-CB 3.9Å; P743-N746 PolarHBondContact O-N 2.7Å; P743-A747 WeakPolarHBondContact O-CB 3.41Å; P743-A747 PolarHBondContact O-N 2.91Å |
| 744 | Q | 93.3 | Very high | 89.5 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -47.1 | -179.9 | -61.1 | 86.3 | -36.2 | 0 | 0 | 110.7 | S619 L626 F629 I741 Q742 N746 A747 F748 | S619-Q744 WeakPolarHBondContact OG-CG 3.28Å; S619-Q744 PolarHBondContact OG-NE2 3.28Å; S619-Q744 VanDerWaalsContact OG-NE2 3.12Å; L626-Q744 HydrophobicContact CD2-CG 4.49Å; F629-Q744 HydrophobicContact CD1-CB 4.25Å; F629-Q744 HydrophobicContact CD2-CB 3.77Å; F629-Q744 HydrophobicContact CD2-CG 3.76Å; F629-Q744 HydrophobicContact CE1-CB 4.09Å; F629-Q744 HydrophobicContact CE2-CB 3.62Å; F629-Q744 HydrophobicContact CE2-CG 3.32Å; F629-Q744 HydrophobicContact CG-CB 4.09Å; F629-Q744 HydrophobicContact CZ-CB 3.75Å; F629-Q744 HydrophobicContact CZ-CG 3.77Å; I741-Q744 VanDerWaalsContact CA-OE1 3.26Å; I741-Q744 WeakPolarHBondContact O-CB 3.41Å; I741-Q744 PolarHBondContact O-N 3.07Å; I741-Q744 VanDerWaalsContact O-N 3.16Å; I741-Q744 PolarHBondContact O-OE1 3.41Å; I741-Q744 VanDerWaalsContact O-OE1 3.12Å; Q742-Q744 VanDerWaalsContact C-N 3.28Å; Q742-Q744 PolarHBondContact O-N 3.46Å; Q744-N746 PolarHBondContact O-N 3.34Å; Q744-A747 PolarHBondContact O-N 3.15Å; Q744-F748 WeakPolarHBondContact O-CB 3.23Å; Q744-F748 PolarHBondContact O-N 3.24Å |
| 745 | I | 93.1 | Very high | 89.7 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 175.8 | -67.6 | 166 | 0 | 0 | 0 | 110.3 | F654 H657 I741 Q742 A747 F748 L749 | F654-I745 HydrophobicContact CE2-CG1 4.25Å; H657-I745 HydrophobicContact CB-CD1 4.3Å; H657-I745 HydrophobicContact CB-CG2 4.1Å; H657-I745 VanDerWaalsContact CD2-CD1 3.46Å; H657-I745 WeakPolarHBondContact CD2-CD1 3.46Å; I741-I745 HydrophobicContact CD1-CD1 3.79Å; I741-I745 HydrophobicContact CD1-CG1 4.23Å; I741-I745 HydrophobicContact CG1-CD1 3.76Å; I741-I745 HydrophobicContact CG1-CG1 4.34Å; I741-I745 WeakPolarHBondContact O-CG1 3.23Å; I741-I745 PolarHBondContact O-N 3.14Å; Q742-I745 PolarHBondContact O-N 2.8Å; I745-A747 PolarHBondContact O-N 3.15Å; I745-F748 PolarHBondContact O-N 3.08Å; I745-L749 HydrophobicContact CG2-CD1 3.78Å; I745-L749 HydrophobicContact CG2-CG 4.24Å; I745-L749 WeakPolarHBondContact O-CB 3.49Å; I745-L749 WeakPolarHBondContact O-CG 3.4Å; I745-L749 PolarHBondContact O-N 3.31Å |
| 746 | N | 94.4 | Very high | 90 | Very high | 84 Ų | 84 | 36.5 Ų | 36.5 | 45% | 0.449 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62 | -43.7 | -178.8 | -70.1 | -8.9 | 0 | 0 | 0 | 111.9 | Q742 P743 Q744 L749 Q750 | Q742-N746 PolarHBondContact NE2-OD1 3.39Å; Q742-N746 WeakPolarHBondContact O-CB 3.45Å; Q742-N746 PolarHBondContact O-N 3.23Å; Q742-N746 PolarHBondContact O-ND2 2.84Å; Q742-N746 PolarHBondContact O-OD1 2.95Å; P743-N746 PolarHBondContact O-N 2.7Å; Q744-N746 PolarHBondContact O-N 3.34Å; N746-L749 PolarHBondContact O-N 2.94Å; N746-Q750 WeakPolarHBondContact O-CB 3.17Å; N746-Q750 PolarHBondContact O-N 3.49Å |
| 747 | A | 95.7 | Very high | 90.3 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L626 F629 Q630 P743 Q744 I745 Q750 G751 | L626-A747 HydrophobicContact CB-CB 4.33Å; L626-A747 HydrophobicContact CD2-CB 4.4Å; L626-A747 WeakPolarHBondContact O-CB 3.25Å; F629-A747 HydrophobicContact CB-CB 4.04Å; Q630-A747 VanDerWaalsContact CA-O 3.24Å; Q630-A747 WeakPolarHBondContact CA-O 3.37Å; Q630-A747 HydrophobicContact CB-CB 4.47Å; Q630-A747 WeakPolarHBondContact CB-O 3.25Å; P743-A747 WeakPolarHBondContact O-CB 3.41Å; P743-A747 PolarHBondContact O-N 2.91Å; Q744-A747 PolarHBondContact O-N 3.15Å; I745-A747 PolarHBondContact O-N 3.15Å; A747-Q750 WeakPolarHBondContact O-CB 3.18Å; A747-Q750 PolarHBondContact O-N 3.47Å; A747-G751 PolarHBondContact O-N 3.46Å |
| 748 | F | 96.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.8 | -49.4 | 175.5 | -178.8 | -85.4 | 0 | 0 | 0 | 112 | F604 F629 A632 G633 L636 F654 I658 Q744 I745 Q750 G751 F752 | F604-F748 HydrophobicContact CZ-CD2 4.49Å; F629-F748 HydrophobicContact CB-CB 4.48Å; F629-F748 WeakPolarHBondContact O-CA 3.08Å; A632-F748 HydrophobicContact CB-CD2 4.25Å; A632-F748 HydrophobicContact CB-CE2 4.27Å; G633-F748 WeakPolarHBondContact CA-O 3.45Å; L636-F748 HydrophobicContact CB-CZ 4.43Å; L636-F748 HydrophobicContact CD2-CZ 4.1Å; F654-F748 HydrophobicContact CE1-CD1 4.47Å; F654-F748 HydrophobicContact CE1-CE1 4.18Å; F654-F748 HydrophobicContact CE1-CE2 4.37Å; F654-F748 HydrophobicContact CE1-CZ 4.12Å; F654-F748 AromaticContact CZ-CD1 3.87Å; F654-F748 HydrophobicContact CZ-CD1 3.87Å; F654-F748 HydrophobicContact CZ-CD2 4.14Å; F654-F748 HydrophobicContact CZ-CE1 4.04Å; F654-F748 HydrophobicContact CZ-CE2 4.28Å; F654-F748 AromaticContact CZ-CG 3.93Å; F654-F748 HydrophobicContact CZ-CG 3.93Å; F654-F748 HydrophobicContact CZ-CZ 4.24Å; I658-F748 HydrophobicContact CD1-CE1 3.82Å; I658-F748 HydrophobicContact CD1-CZ 4.39Å; I658-F748 HydrophobicContact CG1-CD1 4.47Å; I658-F748 HydrophobicContact CG1-CE1 3.99Å; Q744-F748 WeakPolarHBondContact O-CB 3.23Å; Q744-F748 PolarHBondContact O-N 3.24Å; I745-F748 PolarHBondContact O-N 3.08Å; F748-Q750 VanDerWaalsContact C-N 3.31Å; F748-Q750 PolarHBondContact O-N 2.95Å; F748-G751 PolarHBondContact O-N 3.28Å; F748-G751 VanDerWaalsContact O-N 3.1Å; F748-F752 HydrophobicContact CE1-CB 4.29Å; F748-F752 HydrophobicContact CE1-CD2 4.43Å; F748-F752 PolarHBondContact O-N 3.47Å |
| 749 | L | 95.1 | Very high | 90.2 | Very high | 31 Ų | 31 | 38.5 Ų | 38.5 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -38.1 | 179.4 | -75.1 | 177 | 0 | 0 | 0 | 112.4 | I658 I745 N746 G751 F752 H753 | I658-L749 HydrophobicContact CB-CD2 4.32Å; I658-L749 HydrophobicContact CG1-CD2 4.33Å; I658-L749 HydrophobicContact CG2-CD2 4.27Å; I745-L749 HydrophobicContact CG2-CD1 3.78Å; I745-L749 HydrophobicContact CG2-CG 4.24Å; I745-L749 WeakPolarHBondContact O-CB 3.49Å; I745-L749 WeakPolarHBondContact O-CG 3.4Å; I745-L749 PolarHBondContact O-N 3.31Å; N746-L749 PolarHBondContact O-N 2.94Å; L749-G751 VanDerWaalsContact C-N 3.29Å; L749-G751 PolarHBondContact O-N 2.92Å; L749-F752 PolarHBondContact O-N 3.28Å; L749-H753 WeakPolarHBondContact O-CB 3.27Å; L749-H753 PolarHBondContact O-CD2 3.16Å; L749-H753 PolarHBondContact O-N 3.06Å |
| 750 | Q | 94.6 | Very high | 90.2 | Very high | 119 Ų | 119 | 34.8 Ų | 34.8 | 56% | 0.556 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -59.6 | -41.7 | 174.6 | -174.7 | -179.4 | 7.5 | 0 | 0 | 111.5 | N746 A747 F748 T754 | N746-Q750 WeakPolarHBondContact O-CB 3.17Å; N746-Q750 PolarHBondContact O-N 3.49Å; A747-Q750 WeakPolarHBondContact O-CB 3.18Å; A747-Q750 PolarHBondContact O-N 3.47Å; F748-Q750 VanDerWaalsContact C-N 3.31Å; F748-Q750 PolarHBondContact O-N 2.95Å; Q750-T754 PolarHBondContact O-N 2.91Å; Q750-T754 PolarHBondContact O-OG1 3.42Å |
| 751 | G | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.4 | -48.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q630 A747 F748 L749 H753 T754 | Q630-G751 WeakPolarHBondContact O-CA 3.48Å; A747-G751 PolarHBondContact O-N 3.46Å; F748-G751 PolarHBondContact O-N 3.28Å; F748-G751 VanDerWaalsContact O-N 3.1Å; L749-G751 VanDerWaalsContact C-N 3.29Å; L749-G751 PolarHBondContact O-N 2.92Å; G751-H753 PolarHBondContact O-N 3.22Å; G751-T754 VanDerWaalsContact O-CB 3.24Å; G751-T754 WeakPolarHBondContact O-CB 3.36Å; G751-T754 PolarHBondContact O-N 3.42Å; G751-T754 PolarHBondContact O-OG1 3.37Å |
| 752 | F | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | -177.9 | -171.9 | -97.2 | 0 | 0 | 0 | 112.3 | G633 L636 L640 I658 F748 L749 T754 F755 I756 I761 L773 | G633-F752 VanDerWaalsContact O-CA 3.23Å; G633-F752 WeakPolarHBondContact O-CA 3.27Å; G633-F752 PolarHBondContact O-N 2.84Å; L636-F752 HydrophobicContact CB-CD2 4.2Å; L636-F752 HydrophobicContact CB-CE2 4.36Å; L640-F752 HydrophobicContact CD2-CZ 3.96Å; I658-F752 HydrophobicContact CG2-CD1 4.31Å; I658-F752 HydrophobicContact CG2-CE1 4.07Å; I658-F752 HydrophobicContact CG2-CZ 4.48Å; F748-F752 HydrophobicContact CE1-CB 4.29Å; F748-F752 HydrophobicContact CE1-CD2 4.43Å; F748-F752 PolarHBondContact O-N 3.47Å; L749-F752 PolarHBondContact O-N 3.28Å; F752-T754 PolarHBondContact O-N 3.5Å; F752-F755 PolarHBondContact O-N 3.09Å; F752-I756 HydrophobicContact CD1-CB 4.29Å; F752-I756 HydrophobicContact CE1-CB 3.89Å; F752-I756 HydrophobicContact CE1-CG1 4.29Å; F752-I756 HydrophobicContact CE1-CG2 3.98Å; F752-I756 HydrophobicContact CZ-CB 4.29Å; F752-I756 HydrophobicContact CZ-CG1 4.21Å; F752-I756 HydrophobicContact CZ-CG2 4.37Å; F752-I756 PolarHBondContact O-N 3.15Å; F752-I756 VanDerWaalsContact O-N 3.13Å; F752-I761 HydrophobicContact CE1-CD1 4.44Å; F752-I761 HydrophobicContact CE1-CG1 4.14Å; F752-I761 HydrophobicContact CZ-CD1 4.33Å; F752-I761 HydrophobicContact CZ-CG1 4.43Å; F752-L773 HydrophobicContact CE2-CD2 4.47Å |
| 753 | H | 93.2 | Very high | 90.1 | Very high | 54 Ų | 54 | 32.1 Ų | 32.1 | 25% | 0.25 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -3.9 | -178.3 | -65.6 | -50.6 | 0 | 0 | 0 | 115 | L749 G751 F755 I756 P758 | L749-H753 WeakPolarHBondContact O-CB 3.27Å; L749-H753 PolarHBondContact O-CD2 3.16Å; L749-H753 PolarHBondContact O-N 3.06Å; G751-H753 PolarHBondContact O-N 3.22Å; H753-F755 PolarHBondContact O-N 3.09Å; H753-I756 VanDerWaalsContact CA-O 3.27Å; H753-I756 WeakPolarHBondContact CA-O 3.39Å; H753-I756 PolarHBondContact ND1-O 2.93Å; H753-P758 HydrophobicContact CB-CG 4.27Å |
| 754 | T | 90.6 | Very high | 89.9 | Confident | 36 Ų | 36 | 28.8 Ų | 28.8 | 22% | 0.221 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -33.8 | 167.7 | -62.5 | 0 | 0 | 0 | 0 | 111.3 | N563 K567 Q750 G751 F752 | N563-T754 HydrophobicContact CB-CG2 4.34Å; N563-T754 VanDerWaalsContact CG-CG2 3.49Å; N563-T754 VanDerWaalsContact ND2-CG2 3.29Å; N563-T754 WeakPolarHBondContact ND2-CG2 3.46Å; K567-T754 PolarHBondContact NZ-O 2.88Å; Q750-T754 PolarHBondContact O-N 2.91Å; Q750-T754 PolarHBondContact O-OG1 3.42Å; G751-T754 VanDerWaalsContact O-CB 3.24Å; G751-T754 WeakPolarHBondContact O-CB 3.36Å; G751-T754 PolarHBondContact O-N 3.42Å; G751-T754 PolarHBondContact O-OG1 3.37Å; F752-T754 PolarHBondContact O-N 3.5Å |
| 755 | F | 89.1 | Confident | 89.6 | Confident | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -34.7 | -178.7 | -61.1 | -75.6 | 0 | 0 | 0 | 112.8 | L566 K567 Q634 L638 F752 H753 | L566-F755 HydrophobicContact CB-CE1 4.05Å; L566-F755 HydrophobicContact CB-CZ 4.33Å; L566-F755 HydrophobicContact CD1-CZ 3.98Å; K567-F755 HydrophobicContact CG-CD1 4.03Å; K567-F755 HydrophobicContact CG-CE1 4.29Å; Q634-F755 HydrophobicContact CB-CE2 4.06Å; Q634-F755 HydrophobicContact CG-CE2 4.22Å; L638-F755 HydrophobicContact CB-CD2 4.28Å; L638-F755 HydrophobicContact CB-CE2 4.32Å; L638-F755 HydrophobicContact CD1-CD1 4Å; L638-F755 HydrophobicContact CD1-CE1 3.79Å; L638-F755 HydrophobicContact CD1-CG 4.49Å; L638-F755 HydrophobicContact CD1-CZ 4.09Å; F752-F755 PolarHBondContact O-N 3.09Å; H753-F755 PolarHBondContact O-N 3.09Å |
| 756 | I | 90 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -116.1 | 110.8 | -171.9 | -51.6 | -60.5 | 0 | 0 | 0 | 110.9 | F519 L523 G637 L640 F752 H753 I761 | F519-I756 HydrophobicContact CE2-CG2 4.11Å; F519-I756 HydrophobicContact CZ-CD1 4.31Å; F519-I756 HydrophobicContact CZ-CG2 4Å; L523-I756 HydrophobicContact CD1-CD1 4.19Å; L523-I756 HydrophobicContact CD2-CD1 3.78Å; G637-I756 WeakPolarHBondContact O-CD1 3.47Å; L640-I756 HydrophobicContact CB-CD1 4.15Å; L640-I756 HydrophobicContact CB-CG1 4.41Å; L640-I756 HydrophobicContact CD2-CD1 4.08Å; L640-I756 HydrophobicContact CD2-CG1 4.05Å; L640-I756 HydrophobicContact CD2-CG2 4.3Å; L640-I756 HydrophobicContact CG-CD1 3.99Å; L640-I756 HydrophobicContact CG-CG1 4.41Å; F752-I756 HydrophobicContact CD1-CB 4.29Å; F752-I756 HydrophobicContact CE1-CB 3.89Å; F752-I756 HydrophobicContact CE1-CG1 4.29Å; F752-I756 HydrophobicContact CE1-CG2 3.98Å; F752-I756 HydrophobicContact CZ-CB 4.29Å; F752-I756 HydrophobicContact CZ-CG1 4.21Å; F752-I756 HydrophobicContact CZ-CG2 4.37Å; F752-I756 PolarHBondContact O-N 3.15Å; F752-I756 VanDerWaalsContact O-N 3.13Å; H753-I756 VanDerWaalsContact CA-O 3.27Å; H753-I756 WeakPolarHBondContact CA-O 3.39Å; H753-I756 PolarHBondContact ND1-O 2.93Å; I756-I761 HydrophobicContact CG2-CB 4.24Å; I756-I761 HydrophobicContact CG2-CD1 4.25Å |
| 757 | P | 86.4 | Confident | 88.7 | Confident | 50 Ų | 50 | 26.5 Ų | 26.5 | 33% | 0.325 | 14% | 0.143 | S | C | . | . | trans | -56.5 | 134 | 177.4 | -25.8 | 34.3 | 0 | 0 | 0 | 112.8 | S759 L760 I761 | P757-S759 VanDerWaalsContact C-N 3.25Å; P757-S759 PolarHBondContact O-N 3.39Å; P757-L760 HydrophobicContact CB-CB 4.41Å; P757-L760 HydrophobicContact CB-CD1 4.19Å; P757-L760 HydrophobicContact CB-CG 4.1Å; P757-L760 HydrophobicContact CG-CD1 3.86Å; P757-L760 HydrophobicContact CG-CG 4.34Å; P757-L760 PolarHBondContact O-N 3.24Å; P757-L760 VanDerWaalsContact O-N 3.11Å; P757-I761 PolarHBondContact O-N 3.13Å | ||
| 758 | P | 84.4 | Confident | 88.4 | Confident | 63 Ų | 63 | 27.3 Ų | 27.3 | 41% | 0.409 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -56.2 | -36.2 | 178.1 | -23.3 | 28.9 | 0 | 0 | 0 | 114 | H753 L760 I761 Q762 | H753-P758 HydrophobicContact CB-CG 4.27Å; P758-L760 VanDerWaalsContact C-N 3.3Å; P758-L760 PolarHBondContact O-N 3.47Å; P758-I761 WeakPolarHBondContact O-CG2 3.35Å; P758-I761 PolarHBondContact O-N 3.2Å; P758-Q762 VanDerWaalsContact O-CG 3.32Å; P758-Q762 WeakPolarHBondContact O-CG 3.32Å; P758-Q762 PolarHBondContact O-N 3.02Å |
| 759 | S | 79.1 | Confident | 88.1 | Confident | 46 Ų | 46 | 27.2 Ų | 27.2 | 32% | 0.322 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.5 | -34 | 179 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | M500 P757 | M500-S759 WeakPolarHBondContact CE-O 3.32Å; P757-S759 VanDerWaalsContact C-N 3.25Å; P757-S759 PolarHBondContact O-N 3.39Å |
| 760 | L | 82.9 | Confident | 87.9 | Confident | 18 Ų | 18 | 25.8 Ų | 25.8 | 9% | 0.094 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -76.5 | -37.2 | -179.6 | -67.2 | -176.9 | 0 | 0 | 0 | 111.9 | W518 F519 L523 P757 P758 Q762 L763 | W518-L760 HydrophobicContact CH2-CD2 3.94Å; W518-L760 HydrophobicContact CZ3-CD2 3.57Å; F519-L760 HydrophobicContact CD2-CB 3.86Å; F519-L760 HydrophobicContact CE2-CB 3.81Å; L523-L760 HydrophobicContact CD1-CD1 4.3Å; P757-L760 HydrophobicContact CB-CB 4.41Å; P757-L760 HydrophobicContact CB-CD1 4.19Å; P757-L760 HydrophobicContact CB-CG 4.1Å; P757-L760 HydrophobicContact CG-CD1 3.86Å; P757-L760 HydrophobicContact CG-CG 4.34Å; P757-L760 PolarHBondContact O-N 3.24Å; P757-L760 VanDerWaalsContact O-N 3.11Å; P758-L760 VanDerWaalsContact C-N 3.3Å; P758-L760 PolarHBondContact O-N 3.47Å; L760-Q762 VanDerWaalsContact C-N 3.3Å; L760-Q762 PolarHBondContact O-N 2.93Å; L760-L763 WeakPolarHBondContact O-CB 3.48Å; L760-L763 WeakPolarHBondContact O-CD1 3.45Å; L760-L763 VanDerWaalsContact O-CG 3.25Å; L760-L763 WeakPolarHBondContact O-CG 3.37Å; L760-L763 PolarHBondContact O-N 3.37Å |
| 761 | I | 87.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -72.5 | -26.7 | -178.6 | -155.3 | 63.9 | 0 | 0 | 0 | 112.4 | F519 L640 L659 F752 I756 P757 P758 L763 F764 L769 L772 | F519-I761 HydrophobicContact CE2-CD1 4.39Å; L640-I761 HydrophobicContact CD2-CD1 3.94Å; L659-I761 HydrophobicContact CD2-CG1 4.2Å; L659-I761 HydrophobicContact CD2-CG2 4.42Å; L659-I761 VanDerWaalsContact CD2-O 3.25Å; L659-I761 WeakPolarHBondContact CD2-O 3.21Å; F752-I761 HydrophobicContact CE1-CD1 4.44Å; F752-I761 HydrophobicContact CE1-CG1 4.14Å; F752-I761 HydrophobicContact CZ-CD1 4.33Å; F752-I761 HydrophobicContact CZ-CG1 4.43Å; I756-I761 HydrophobicContact CG2-CB 4.24Å; I756-I761 HydrophobicContact CG2-CD1 4.25Å; P757-I761 PolarHBondContact O-N 3.13Å; P758-I761 WeakPolarHBondContact O-CG2 3.35Å; P758-I761 PolarHBondContact O-N 3.2Å; I761-L763 PolarHBondContact O-N 3.28Å; I761-L763 VanDerWaalsContact O-N 3.11Å; I761-F764 HydrophobicContact CD1-CD2 4.35Å; I761-F764 PolarHBondContact O-N 3.24Å; I761-L769 HydrophobicContact CD1-CD1 3.55Å; I761-L769 HydrophobicContact CG1-CD1 3.83Å; I761-L772 HydrophobicContact CD1-CD2 3.84Å |
| 762 | Q | 84.6 | Confident | 87.6 | Confident | 75 Ų | 75 | 21.2 Ų | 21.2 | 35% | 0.35 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -11.7 | 177 | -77 | 176.4 | -3.5 | 0 | 0 | 114.4 | M504 K508 P758 L760 F764 | M504-Q762 HydrophobicContact CE-CB 4.24Å; K508-Q762 WeakPolarHBondContact CE-O 3.32Å; P758-Q762 VanDerWaalsContact O-CG 3.32Å; P758-Q762 WeakPolarHBondContact O-CG 3.32Å; P758-Q762 PolarHBondContact O-N 3.02Å; L760-Q762 VanDerWaalsContact C-N 3.3Å; L760-Q762 PolarHBondContact O-N 2.93Å; Q762-F764 PolarHBondContact O-N 3.01Å |
| 763 | L | 83.1 | Confident | 87.3 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.9 | 172.7 | -63.9 | 176.4 | 0 | 0 | 0 | 112.7 | L494 M500 I507 R515 W518 L760 I761 | L494-L763 HydrophobicContact CD2-CD2 3.87Å; M500-L763 HydrophobicContact SD-CD2 4.22Å; I507-L763 HydrophobicContact CG2-CD2 3.64Å; R515-L763 PolarHBondContact NH1-O 2.92Å; W518-L763 HydrophobicContact CE3-CD1 3.72Å; W518-L763 HydrophobicContact CZ3-CD1 3.59Å; L760-L763 WeakPolarHBondContact O-CB 3.48Å; L760-L763 WeakPolarHBondContact O-CD1 3.45Å; L760-L763 VanDerWaalsContact O-CG 3.25Å; L760-L763 WeakPolarHBondContact O-CG 3.37Å; L760-L763 PolarHBondContact O-N 3.37Å; I761-L763 PolarHBondContact O-N 3.28Å; I761-L763 VanDerWaalsContact O-N 3.11Å |
| 764 | F | 87.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -106.3 | 157.9 | -176.3 | -55 | -75.3 | 0 | 0 | 0 | 111.5 | K508 F512 R515 F519 I761 Q762 E768 L772 | K508-F764 PolarHBondContact NZ-O 3.31Å; F512-F764 AromaticContact CD2-CD1 3.96Å; F512-F764 HydrophobicContact CD2-CD1 3.96Å; F512-F764 HydrophobicContact CD2-CE1 4.04Å; F512-F764 AromaticContact CE2-CD1 3.79Å; F512-F764 HydrophobicContact CE2-CD1 3.79Å; F512-F764 AromaticContact CE2-CE1 3.87Å; F512-F764 HydrophobicContact CE2-CE1 3.87Å; R515-F764 HydrophobicContact CB-CE1 3.88Å; R515-F764 HydrophobicContact CB-CZ 4.31Å; F519-F764 HydrophobicContact CB-CE2 4.13Å; F519-F764 HydrophobicContact CB-CZ 3.96Å; F519-F764 AromaticContact CD2-CE2 3.83Å; F519-F764 HydrophobicContact CD2-CE2 3.83Å; F519-F764 HydrophobicContact CE2-CE2 4.44Å; F519-F764 AromaticContact CG-CE2 3.99Å; F519-F764 HydrophobicContact CG-CE2 3.99Å; F519-F764 HydrophobicContact CG-CZ 4.23Å; I761-F764 HydrophobicContact CD1-CD2 4.35Å; I761-F764 PolarHBondContact O-N 3.24Å; Q762-F764 PolarHBondContact O-N 3.01Å; F764-E768 WeakPolarHBondContact CA-OE2 3.16Å; F764-E768 HydrophobicContact CB-CB 3.95Å; F764-E768 HydrophobicContact CD1-CB 4.14Å; F764-E768 HydrophobicContact CG-CB 4.49Å; F764-L772 HydrophobicContact CD2-CD2 3.8Å; F764-L772 HydrophobicContact CE2-CD2 3.67Å; F764-L772 HydrophobicContact CG-CD2 4.4Å; F764-L772 HydrophobicContact CZ-CD2 4.17Å |
| 765 | D | 85.4 | Confident | 86.8 | Confident | 12 Ų | 12 | 18.4 Ų | 18.4 | 6% | 0.064 | 11% | 0.107 | C | C | . | . | trans | -93.1 | 179.8 | 165.2 | 71.1 | 28.5 | 0 | 0 | 0 | 112 | L659 Y767 E768 L769 | L659-D765 WeakPolarHBondContact CD1-O 3.12Å; D765-Y767 PolarHBondContact O-N 3.45Å; D765-Y767 WeakPolarHBondContact OD1-CA 3.31Å; D765-Y767 WeakPolarHBondContact OD1-CB 3.48Å; D765-Y767 PolarHBondContact OD1-N 3.09Å; D765-E768 PolarHBondContact N-OE2 3.26Å; D765-E768 VanDerWaalsContact N-OE2 3.12Å; D765-E768 PolarHBondContact O-N 2.77Å; D765-E768 WeakPolarHBondContact OD1-CB 3.4Å; D765-E768 VanDerWaalsContact OD1-CG 3.3Å; D765-E768 WeakPolarHBondContact OD1-CG 3.4Å; D765-E768 PolarHBondContact OD1-N 3.31Å; D765-L769 WeakPolarHBondContact O-CB 3.43Å; D765-L769 PolarHBondContact O-N 3.13Å | ||
| 766 | E | 85 | Confident | 86.6 | Confident | 9 Ų | 9 | 22 Ų | 22 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.9 | -17.8 | -177.6 | 67.7 | -89.9 | -149.4 | 0 | 0 | 114.5 | R652 K656 L659 | R652-E766 PolarHBondContact NH1-O 3.09Å; R652-E766 VanDerWaalsContact NH1-O 3.08Å; K656-E766 WeakPolarHBondContact CE-OE1 3.36Å; K656-E766 HydrophobicContact CG-CB 3.99Å; K656-E766 HydrophobicContact CG-CG 4.18Å; K656-E766 IonicContact NZ-OE1 3.55Å; L659-E766 HydrophobicContact CD1-CB 4.24Å |
| 767 | Y | 84.6 | Confident | 86.4 | Confident | 28 Ų | 28 | 23.3 Ų | 23.3 | 11% | 0.11 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -84 | -43.9 | 175.6 | -65.9 | -95.1 | 0 | 0 | 0 | 109.9 | D765 E770 L771 L818 Q821 G890 S891 | D765-Y767 PolarHBondContact O-N 3.45Å; D765-Y767 WeakPolarHBondContact OD1-CA 3.31Å; D765-Y767 WeakPolarHBondContact OD1-CB 3.48Å; D765-Y767 PolarHBondContact OD1-N 3.09Å; Y767-E770 WeakPolarHBondContact O-CB 3.42Å; Y767-E770 PolarHBondContact O-N 2.71Å; Y767-L771 WeakPolarHBondContact O-CG 3.23Å; Y767-L771 PolarHBondContact O-N 2.67Å; Y767-L818 HydrophobicContact CD1-CD2 4.33Å; Y767-L818 HydrophobicContact CG-CD2 4.28Å; Y767-Q821 HydrophobicContact CD1-CB 3.88Å; Y767-Q821 HydrophobicContact CD1-CG 4.39Å; Y767-Q821 HydrophobicContact CE1-CB 4.11Å; Y767-Q821 PolarHBondContact O-NE2 3.01Å; Y767-G890 PolarHBondContact OH-O 3.17Å; Y767-S891 VanDerWaalsContact CE2-CA 3.44Å |
| 768 | E | 88.4 | Confident | 86.4 | Confident | 25 Ų | 25 | 29.5 Ų | 29.5 | 12% | 0.117 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70 | -35.5 | 179.1 | -69.5 | 175.5 | 150.7 | 0 | 0 | 112.6 | F512 R515 F764 D765 E770 L771 L772 | F512-E768 HydrophobicContact CD2-CB 3.77Å; F512-E768 HydrophobicContact CD2-CG 3.66Å; F512-E768 HydrophobicContact CE2-CB 3.65Å; F512-E768 HydrophobicContact CE2-CG 4.05Å; F512-E768 HydrophobicContact CG-CG 4.45Å; R515-E768 IonicContact CZ-OE1 2.81Å; R515-E768 IonicContact CZ-OE2 3.73Å; R515-E768 IonicContact NH1-OE1 2.73Å; R515-E768 IonicContact NH1-OE2 2.97Å; R515-E768 PolarHBondContact NH1-OE2 3.4Å; R515-E768 IonicContact NH2-OE1 3.33Å; R515-E768 PolarHBondContact NH2-OE1 2.85Å; R515-E768 IonicContact NH2-OE2 2.82Å; R515-E768 PolarHBondContact NH2-OE2 3.36Å; F764-E768 WeakPolarHBondContact CA-OE2 3.16Å; F764-E768 HydrophobicContact CB-CB 3.95Å; F764-E768 HydrophobicContact CD1-CB 4.14Å; F764-E768 HydrophobicContact CG-CB 4.49Å; D765-E768 PolarHBondContact N-OE2 3.26Å; D765-E768 VanDerWaalsContact N-OE2 3.12Å; D765-E768 PolarHBondContact O-N 2.77Å; D765-E768 WeakPolarHBondContact OD1-CB 3.4Å; D765-E768 VanDerWaalsContact OD1-CG 3.3Å; D765-E768 WeakPolarHBondContact OD1-CG 3.4Å; D765-E768 PolarHBondContact OD1-N 3.31Å; E768-E770 VanDerWaalsContact C-N 3.28Å; E768-E770 PolarHBondContact O-N 2.9Å; E768-L771 PolarHBondContact O-N 3.25Å; E768-L771 VanDerWaalsContact O-N 3.15Å; E768-L772 VanDerWaalsContact O-CB 3.32Å; E768-L772 WeakPolarHBondContact O-CB 3.47Å; E768-L772 PolarHBondContact O-N 3.23Å |
| 769 | L | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -37 | 174.9 | -179.9 | 58.3 | 0 | 0 | 0 | 111.9 | Y655 I658 L659 I761 D765 L771 L772 L773 | Y655-L769 HydrophobicContact CD1-CB 4.34Å; Y655-L769 HydrophobicContact CD1-CD2 3.86Å; Y655-L769 HydrophobicContact CD1-CG 3.87Å; Y655-L769 HydrophobicContact CE1-CG 4.46Å; I658-L769 HydrophobicContact CB-CD2 3.88Å; I658-L769 HydrophobicContact CD1-CD2 4.38Å; I658-L769 HydrophobicContact CG2-CD2 3.72Å; L659-L769 HydrophobicContact CD1-CB 4.43Å; L659-L769 HydrophobicContact CD1-CD2 4.22Å; L659-L769 HydrophobicContact CD2-CD2 3.95Å; L659-L769 HydrophobicContact CG-CD2 3.8Å; I761-L769 HydrophobicContact CD1-CD1 3.55Å; I761-L769 HydrophobicContact CG1-CD1 3.83Å; D765-L769 WeakPolarHBondContact O-CB 3.43Å; D765-L769 PolarHBondContact O-N 3.13Å; L769-L771 VanDerWaalsContact C-N 3.35Å; L769-L772 HydrophobicContact CD1-CD2 4.45Å; L769-L772 PolarHBondContact O-N 2.96Å; L769-L773 HydrophobicContact CD1-CD1 4.23Å; L769-L773 HydrophobicContact CD1-CG 4.45Å; L769-L773 HydrophobicContact CG-CD1 4.35Å; L769-L773 WeakPolarHBondContact O-CG 3.44Å; L769-L773 PolarHBondContact O-N 2.98Å |
| 770 | E | 91.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 172.6 | 179.2 | -171.5 | 165.6 | 0 | 0 | 110.9 | Y649 R652 Y655 Y767 E768 L773 S774 Q821 S826 S827 | Y649-E770 HydrophobicContact CD1-CG 4.24Å; Y649-E770 WeakPolarHBondContact CD1-OE1 3.23Å; R652-E770 IonicContact CZ-OE2 2.87Å; R652-E770 IonicContact NH1-OE2 2.83Å; R652-E770 PolarHBondContact NH1-OE2 3Å; R652-E770 IonicContact NH2-OE2 3.78Å; R652-E770 PolarHBondContact NH2-OE2 3.4Å; Y655-E770 HydrophobicContact CD2-CB 4.44Å; Y655-E770 HydrophobicContact CE1-CB 4.25Å; Y655-E770 HydrophobicContact CE2-CB 3.82Å; Y655-E770 HydrophobicContact CE2-CG 4.09Å; Y767-E770 WeakPolarHBondContact O-CB 3.42Å; Y767-E770 PolarHBondContact O-N 2.71Å; E768-E770 VanDerWaalsContact C-N 3.28Å; E768-E770 PolarHBondContact O-N 2.9Å; E770-L773 PolarHBondContact O-N 3.27Å; E770-S774 WeakPolarHBondContact O-CB 3.32Å; E770-S774 PolarHBondContact O-N 3.02Å; E770-S774 PolarHBondContact O-OG 3.16Å; E770-Q821 PolarHBondContact OE2-NE2 2.93Å; E770-S826 PolarHBondContact OE1-OG 3.09Å; E770-S827 WeakPolarHBondContact OE1-CB 3.33Å; E770-S827 PolarHBondContact OE1-N 2.89Å; E770-S827 PolarHBondContact OE1-OG 2.94Å |
| 771 | L | 90 | Very high | 87.8 | Confident | 12 Ų | 12 | 28.9 Ų | 28.9 | 6% | 0.063 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.7 | -34.5 | 179.9 | -58.7 | -178.7 | 0 | 0 | 0 | 112.4 | F512 Y767 E768 L769 L773 G775 V817 | F512-L771 HydrophobicContact CE1-CB 4.23Å; F512-L771 HydrophobicContact CZ-CB 3.91Å; Y767-L771 WeakPolarHBondContact O-CG 3.23Å; Y767-L771 PolarHBondContact O-N 2.67Å; E768-L771 PolarHBondContact O-N 3.25Å; E768-L771 VanDerWaalsContact O-N 3.15Å; L769-L771 VanDerWaalsContact C-N 3.35Å; L771-L773 VanDerWaalsContact C-N 3.28Å; L771-L773 PolarHBondContact O-N 2.92Å; L771-G775 CarbonylContact O-C 3.56Å; L771-G775 WeakPolarHBondContact O-CA 3.37Å; L771-G775 PolarHBondContact O-N 2.69Å; L771-V817 HydrophobicContact CD1-CG1 4.04Å; L771-V817 HydrophobicContact CD2-CG1 3.52Å; L771-V817 HydrophobicContact CG-CG1 4.38Å |
| 772 | L | 90.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -34.5 | 177.2 | -174.7 | 65.3 | 0 | 0 | 0 | 111.4 | F512 F519 Y520 L640 I761 F764 E768 L769 | F512-L772 HydrophobicContact CZ-CB 4.46Å; F519-L772 HydrophobicContact CE1-CD2 4.47Å; Y520-L772 HydrophobicContact CE2-CD1 4.32Å; L640-L772 HydrophobicContact CD1-CD1 4.03Å; L640-L772 HydrophobicContact CD1-CD2 3.95Å; L640-L772 HydrophobicContact CD1-CG 3.56Å; L640-L772 HydrophobicContact CD2-CD2 4.03Å; L640-L772 HydrophobicContact CD2-CG 4.46Å; I761-L772 HydrophobicContact CD1-CD2 3.84Å; F764-L772 HydrophobicContact CD2-CD2 3.8Å; F764-L772 HydrophobicContact CE2-CD2 3.67Å; F764-L772 HydrophobicContact CG-CD2 4.4Å; F764-L772 HydrophobicContact CZ-CD2 4.17Å; E768-L772 VanDerWaalsContact O-CB 3.32Å; E768-L772 WeakPolarHBondContact O-CB 3.47Å; E768-L772 PolarHBondContact O-N 3.23Å; L769-L772 HydrophobicContact CD1-CD2 4.45Å; L769-L772 PolarHBondContact O-N 2.96Å |
| 773 | L | 90.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -85.4 | -42.6 | 177.9 | -71.9 | 168.8 | 0 | 0 | 0 | 113.2 | L636 L640 L645 V646 Y655 F752 L769 E770 L771 | L636-L773 HydrophobicContact CD2-CD1 4.45Å; L640-L773 HydrophobicContact CB-CD2 4.13Å; L640-L773 HydrophobicContact CD2-CD2 4.39Å; L645-L773 WeakPolarHBondContact CA-O 3.3Å; V646-L773 HydrophobicContact CG2-CB 3.98Å; V646-L773 WeakPolarHBondContact CG2-O 3.36Å; V646-L773 PolarHBondContact N-O 3.5Å; Y655-L773 HydrophobicContact CE1-CD1 4.07Å; F752-L773 HydrophobicContact CE2-CD2 4.47Å; L769-L773 HydrophobicContact CD1-CD1 4.23Å; L769-L773 HydrophobicContact CD1-CG 4.45Å; L769-L773 HydrophobicContact CG-CD1 4.35Å; L769-L773 WeakPolarHBondContact O-CG 3.44Å; L769-L773 PolarHBondContact O-N 2.98Å; E770-L773 PolarHBondContact O-N 3.27Å; L771-L773 VanDerWaalsContact C-N 3.28Å; L771-L773 PolarHBondContact O-N 2.92Å |
| 774 | S | 87.2 | Confident | 89.1 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 11% | 0.105 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -101.3 | -13 | -168.6 | -38 | 0 | 0 | 0 | 0 | 113.4 | V646 I648 E770 | V646-S774 WeakPolarHBondContact O-CA 3.12Å; I648-S774 PolarHBondContact O-OG 2.8Å; E770-S774 WeakPolarHBondContact O-CB 3.32Å; E770-S774 PolarHBondContact O-N 3.02Å; E770-S774 PolarHBondContact O-OG 3.16Å |
| 775 | G | 85.8 | Confident | 89.4 | Confident | 14 Ų | 14 | 32 Ų | 32 | 14% | 0.144 | 17% | 0.166 | C | C | . | . | trans | 88.4 | 161 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L771 P777 | L771-G775 CarbonylContact O-C 3.56Å; L771-G775 WeakPolarHBondContact O-CA 3.37Å; L771-G775 PolarHBondContact O-N 2.69Å; G775-P777 WeakPolarHBondContact O-CD 3.45Å | ||
| 776 | M | 83.9 | Confident | 89.8 | Confident | 77 Ų | 77 | 39.6 Ų | 39.6 | 38% | 0.379 | 19% | 0.194 | S | C | . | . | trans | -84.3 | 114.2 | 174.4 | -172.9 | 179 | -64.8 | 0 | 0 | 109.5 | F512 Q813 E814 V817 | F512-M776 HydrophobicContact CD1-CE 3.93Å; F512-M776 HydrophobicContact CE1-CE 4.11Å; M776-Q813 HydrophobicContact CG-CG 4.33Å; M776-Q813 HydrophobicContact SD-CB 4.32Å; M776-Q813 HydrophobicContact SD-CG 3.96Å; M776-E814 HydrophobicContact CE-CG 3.45Å; M776-E814 VanDerWaalsContact CE-CG 3.45Å; M776-E814 HydrophobicContact SD-CG 4.16Å; M776-V817 HydrophobicContact CG-CG2 4.33Å | ||
| 777 | P | 85.9 | Confident | 90.2 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 19% | 0.188 | 20% | 0.199 | C | C | . | . | trans | -75.4 | 150.1 | -179.6 | 30.9 | -34.2 | 0 | 0 | 0 | 110.8 | G775 Q813 V817 S827 V829 | G775-P777 WeakPolarHBondContact O-CD 3.45Å; P777-Q813 PolarHBondContact O-NE2 2.62Å; P777-V817 HydrophobicContact CG-CG1 4.48Å; P777-V817 HydrophobicContact CG-CG2 3.92Å; P777-S827 WeakPolarHBondContact CG-O 3.45Å; P777-V829 HydrophobicContact CB-CG2 4.19Å | ||
| 778 | E | 85.5 | Confident | 90.7 | Very high | 180 Ų | 180 | 39.9 Ų | 39.9 | 84% | 0.841 | 20% | 0.198 | S | C | * | . | trans | -82.7 | 127.9 | 167 | -67.5 | -172.4 | 174.3 | 0 | 0 | 109.7 | ||||
| 779 | I | 90.6 | Very high | 91 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | trans | -109.3 | 112.3 | -175.9 | -66.5 | 174.5 | 0 | 0 | 0 | 108.6 | V781 W784 R816 V817 L820 V829 F834 | I779-V781 HydrophobicContact CG2-CG2 4.43Å; I779-V781 PolarHBondContact O-N 3.11Å; I779-W784 HydrophobicContact CG2-CE3 3.68Å; I779-W784 HydrophobicContact CG2-CZ3 4.04Å; I779-R816 HydrophobicContact CD1-CB 3.93Å; I779-V817 HydrophobicContact CD1-CB 4.32Å; I779-V817 HydrophobicContact CD1-CG2 3.65Å; I779-V817 HydrophobicContact CG1-CG2 4.4Å; I779-L820 HydrophobicContact CD1-CB 4.24Å; I779-L820 HydrophobicContact CD1-CD2 4.04Å; I779-V829 HydrophobicContact CG1-CG2 4.34Å; I779-F834 HydrophobicContact CG2-CE2 4.08Å; I779-F834 HydrophobicContact CG2-CZ 3.99Å | ||
| 780 | D | 92.3 | Very high | 91.1 | Very high | 91 Ų | 91 | 44.6 Ų | 44.6 | 49% | 0.487 | 22% | 0.219 | S | C | . | . | trans | -77.1 | 100.4 | 167.5 | -174.8 | -15.5 | 0 | 0 | 0 | 109.5 | E782 D783 W784 | D780-E782 VanDerWaalsContact C-N 3.25Å; D780-E782 PolarHBondContact O-N 3.42Å; D780-E782 PolarHBondContact OD1-N 3.03Å; D780-D783 HydrophobicContact CB-CB 3.93Å; D780-D783 PolarHBondContact O-N 3.25Å; D780-D783 PolarHBondContact OD1-N 3.34Å; D780-W784 PolarHBondContact O-N 3.07Å | ||
| 781 | V | 93.5 | Very high | 90.9 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -30.3 | -179.8 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | I779 W784 C785 W805 V808 R809 | I779-V781 HydrophobicContact CG2-CG2 4.43Å; I779-V781 PolarHBondContact O-N 3.11Å; V781-W784 PolarHBondContact O-N 3.14Å; V781-C785 VanDerWaalsContact O-CB 3.26Å; V781-C785 WeakPolarHBondContact O-CB 3.47Å; V781-C785 PolarHBondContact O-N 3.34Å; V781-W805 HydrophobicContact CG1-CE3 4.01Å; V781-W805 HydrophobicContact CG1-CZ3 4.14Å; V781-V808 HydrophobicContact CG1-CG1 3.84Å; V781-V808 HydrophobicContact CG2-CG1 4.32Å; V781-R809 HydrophobicContact CG1-CG 3.85Å |
| 782 | E | 94.3 | Very high | 90.4 | Very high | 89 Ų | 89 | 51.1 Ų | 51.1 | 42% | 0.416 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -76.6 | -33.8 | 179.6 | -59.3 | -53.5 | 144.4 | 0 | 0 | 111.3 | D780 R786 R809 | D780-E782 VanDerWaalsContact C-N 3.25Å; D780-E782 PolarHBondContact O-N 3.42Å; D780-E782 PolarHBondContact OD1-N 3.03Å; E782-R786 WeakPolarHBondContact O-CB 3.43Å; E782-R786 WeakPolarHBondContact O-CG 3.43Å; E782-R786 PolarHBondContact O-N 2.75Å; E782-R786 VanDerWaalsContact O-N 3.09Å; E782-R786 PolarHBondContact O-NE 3.42Å; E782-R786 VanDerWaalsContact O-NE 3.09Å; E782-R809 IonicContact OE1-CZ 3.46Å; E782-R809 IonicContact OE1-NE 2.68Å; E782-R809 PolarHBondContact OE1-NE 3.45Å; E782-R809 IonicContact OE1-NH2 3.38Å; E782-R809 PolarHBondContact OE1-NH2 2.86Å; E782-R809 IonicContact OE2-CZ 3.51Å; E782-R809 IonicContact OE2-NE 2.62Å; E782-R809 IonicContact OE2-NH2 3.48Å; E782-R809 PolarHBondContact OE2-NH2 3.28Å |
| 783 | D | 94.7 | Very high | 89.8 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 168.4 | -168.5 | 59.1 | 0 | 0 | 0 | 112.3 | D780 R786 N787 G833 F834 | D780-D783 HydrophobicContact CB-CB 3.93Å; D780-D783 PolarHBondContact O-N 3.25Å; D780-D783 PolarHBondContact OD1-N 3.34Å; D783-R786 VanDerWaalsContact CA-NH2 3.3Å; D783-R786 PolarHBondContact O-N 2.92Å; D783-R786 IonicContact OD1-CZ 3.08Å; D783-R786 IonicContact OD1-NH1 3.82Å; D783-R786 IonicContact OD1-NH2 2.7Å; D783-R786 PolarHBondContact OD1-NH2 2.81Å; D783-N787 PolarHBondContact O-N 2.61Å; D783-N787 PolarHBondContact O-ND2 2.82Å; D783-N787 PolarHBondContact OD1-ND2 3.1Å; D783-N787 VanDerWaalsContact OD1-ND2 3.13Å; D783-G833 WeakPolarHBondContact OD2-CA 3.36Å; D783-F834 HydrophobicContact CB-CD2 4.43Å; D783-F834 PolarHBondContact OD2-N 2.79Å |
| 784 | W | 94.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.3 | -49.6 | 176.5 | -163.1 | -7.1 | 0 | 0 | 0 | 111.6 | I779 D780 V781 R786 N787 T788 W805 L819 L820 F834 F846 | I779-W784 HydrophobicContact CG2-CE3 3.68Å; I779-W784 HydrophobicContact CG2-CZ3 4.04Å; D780-W784 PolarHBondContact O-N 3.07Å; V781-W784 PolarHBondContact O-N 3.14Å; W784-R786 VanDerWaalsContact C-N 3.33Å; W784-R786 PolarHBondContact O-N 2.9Å; W784-N787 CarbonylContact O-C 3.6Å; W784-N787 PolarHBondContact O-N 3.43Å; W784-N787 VanDerWaalsContact O-N 3.16Å; W784-T788 PolarHBondContact O-N 2.91Å; W784-T788 PolarHBondContact O-OG1 3.25Å; W784-W805 HydrophobicContact CB-CH2 4.21Å; W784-W805 HydrophobicContact CB-CZ3 4.31Å; W784-W805 AromaticContact CD1-CH2 3.91Å; W784-W805 HydrophobicContact CD2-CH2 4.19Å; W784-W805 HydrophobicContact CD2-CZ3 4.38Å; W784-W805 AromaticContact CG-CH2 3.84Å; W784-W805 HydrophobicContact CG-CH2 3.84Å; W784-W805 HydrophobicContact CG-CZ3 4.22Å; W784-L819 HydrophobicContact CH2-CB 4.46Å; W784-L819 HydrophobicContact CH2-CD2 4.24Å; W784-L819 HydrophobicContact CH2-CG 4Å; W784-L820 HydrophobicContact CH2-CB 3.82Å; W784-L820 HydrophobicContact CH2-CD1 3.93Å; W784-L820 HydrophobicContact CH2-CG 4.48Å; W784-L820 HydrophobicContact CZ2-CD1 3.88Å; W784-L820 HydrophobicContact CZ3-CB 4.29Å; W784-F834 HydrophobicContact CB-CD1 4.22Å; W784-F834 HydrophobicContact CB-CD2 3.56Å; W784-F834 HydrophobicContact CB-CE1 4.28Å; W784-F834 HydrophobicContact CB-CE2 3.63Å; W784-F834 HydrophobicContact CB-CG 3.87Å; W784-F834 HydrophobicContact CB-CZ 4Å; W784-F834 AromaticContact CD1-CD1 3.6Å; W784-F834 AromaticContact CD1-CE1 3.86Å; W784-F834 AromaticContact CD1-CG 3.93Å; W784-F834 HydrophobicContact CD2-CD1 4.15Å; W784-F834 AromaticContact CD2-CE1 3.6Å; W784-F834 HydrophobicContact CD2-CE1 3.6Å; W784-F834 HydrophobicContact CD2-CE2 4.2Å; W784-F834 AromaticContact CD2-CZ 3.63Å; W784-F834 HydrophobicContact CD2-CZ 3.63Å; W784-F834 AromaticContact CE2-CE1 3.79Å; W784-F834 HydrophobicContact CE3-CE1 4.11Å; W784-F834 HydrophobicContact CE3-CE2 4.36Å; W784-F834 AromaticContact CE3-CZ 3.74Å; W784-F834 HydrophobicContact CE3-CZ 3.74Å; W784-F834 AromaticContact CG-CD1 3.74Å; W784-F834 HydrophobicContact CG-CD1 3.74Å; W784-F834 AromaticContact CG-CD2 3.99Å; W784-F834 HydrophobicContact CG-CD2 3.99Å; W784-F834 AromaticContact CG-CE1 3.68Å; W784-F834 HydrophobicContact CG-CE1 3.68Å; W784-F834 AromaticContact CG-CE2 3.93Å; W784-F834 HydrophobicContact CG-CE2 3.93Å; W784-F834 AromaticContact CG-CG 3.89Å; W784-F834 HydrophobicContact CG-CG 3.89Å; W784-F834 AromaticContact CG-CZ 3.77Å; W784-F834 HydrophobicContact CG-CZ 3.77Å; W784-F834 HydrophobicContact CZ2-CE1 4.44Å; W784-F834 HydrophobicContact CZ3-CZ 4.43Å; W784-F834 AromaticContact NE1-CD1 3.94Å; W784-F834 AromaticContact NE1-CE1 3.93Å; W784-F846 AromaticContact CD1-CD1 3.98Å; W784-F846 HydrophobicContact CZ2-CD2 4.12Å; W784-F846 AromaticContact CZ2-CE2 3.91Å; W784-F846 HydrophobicContact CZ2-CE2 3.91Å; W784-F846 HydrophobicContact CZ2-CZ 4.28Å; W784-F846 AromaticContact NE1-CD1 3.37Å; W784-F846 AromaticContact NE1-CD2 3.61Å; W784-F846 AromaticContact NE1-CE1 3.86Å; W784-F846 AromaticContact NE1-CG 3.24Å |
| 785 | C | 94 | Very high | 90 | Very high | 31 Ų | 31 | 58 Ų | 58 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 179.2 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | V781 N787 T788 W805 | V781-C785 VanDerWaalsContact O-CB 3.26Å; V781-C785 WeakPolarHBondContact O-CB 3.47Å; V781-C785 PolarHBondContact O-N 3.34Å; C785-N787 VanDerWaalsContact C-N 3.28Å; C785-N787 PolarHBondContact O-N 2.98Å; C785-T788 PolarHBondContact O-N 3.01Å; C785-W805 HydrophobicContact CB-CD2 3.96Å; C785-W805 HydrophobicContact CB-CE3 3.98Å; C785-W805 HydrophobicContact CB-CH2 4.24Å; C785-W805 HydrophobicContact CB-CZ2 4.21Å; C785-W805 HydrophobicContact CB-CZ3 4.12Å |
| 786 | R | 93.4 | Very high | 90.1 | Very high | 171 Ų | 171 | 60.3 Ų | 60.3 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.2 | -29 | 178.5 | -78.7 | -179.2 | -65.6 | 130.4 | 0.3 | 113.3 | E782 D783 W784 | E782-R786 WeakPolarHBondContact O-CB 3.43Å; E782-R786 WeakPolarHBondContact O-CG 3.43Å; E782-R786 PolarHBondContact O-N 2.75Å; E782-R786 VanDerWaalsContact O-N 3.09Å; E782-R786 PolarHBondContact O-NE 3.42Å; E782-R786 VanDerWaalsContact O-NE 3.09Å; D783-R786 VanDerWaalsContact CA-NH2 3.3Å; D783-R786 PolarHBondContact O-N 2.92Å; D783-R786 IonicContact OD1-CZ 3.08Å; D783-R786 IonicContact OD1-NH1 3.82Å; D783-R786 IonicContact OD1-NH2 2.7Å; D783-R786 PolarHBondContact OD1-NH2 2.81Å; W784-R786 VanDerWaalsContact C-N 3.33Å; W784-R786 PolarHBondContact O-N 2.9Å |
| 787 | N | 93.6 | Very high | 90.3 | Very high | 29 Ų | 29 | 63.2 Ų | 63.2 | 16% | 0.155 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 22.1 | -177.3 | -65.7 | -69.8 | 0 | 0 | 0 | 112.9 | D783 W784 C785 F834 A835 K845 | D783-N787 PolarHBondContact O-N 2.61Å; D783-N787 PolarHBondContact O-ND2 2.82Å; D783-N787 PolarHBondContact OD1-ND2 3.1Å; D783-N787 VanDerWaalsContact OD1-ND2 3.13Å; W784-N787 CarbonylContact O-C 3.6Å; W784-N787 PolarHBondContact O-N 3.43Å; W784-N787 VanDerWaalsContact O-N 3.16Å; C785-N787 VanDerWaalsContact C-N 3.28Å; C785-N787 PolarHBondContact O-N 2.98Å; N787-F834 HydrophobicContact CB-CB 4Å; N787-A835 WeakPolarHBondContact OD1-CB 3.43Å; N787-K845 WeakPolarHBondContact O-CD 3.43Å |
| 788 | T | 94.7 | Very high | 90.6 | Very high | 14 Ų | 14 | 64.4 Ų | 64.4 | 9% | 0.086 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.7 | 178.8 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | W784 C785 Y790 W805 F846 I848 | W784-T788 PolarHBondContact O-N 2.91Å; W784-T788 PolarHBondContact O-OG1 3.25Å; C785-T788 PolarHBondContact O-N 3.01Å; T788-Y790 HydrophobicContact CG2-CD1 4.45Å; T788-Y790 HydrophobicContact CG2-CE1 3.85Å; T788-Y790 HydrophobicContact CG2-CE2 4.11Å; T788-W805 HydrophobicContact CG2-CZ2 4.09Å; T788-W805 WeakPolarHBondContact OG1-CZ2 3.38Å; T788-F846 CarbonylContact C-O 3.48Å; T788-F846 WeakPolarHBondContact CA-O 3.49Å; T788-F846 HydrophobicContact CG2-CD1 3.55Å; T788-F846 HydrophobicContact CG2-CE1 3.88Å; T788-F846 WeakPolarHBondContact OG1-CD1 3.41Å; T788-I848 HydrophobicContact CG2-CD1 4.22Å; T788-I848 HydrophobicContact CG2-CG1 3.99Å |
| 789 | E | 93.8 | Very high | 90.9 | Very high | 78 Ų | 78 | 59 Ų | 59 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 144.1 | 172.9 | -65.3 | -178.6 | 178.3 | 0 | 0 | 110.9 | K845 F846 T847 I848 | E789-K845 HydrophobicContact CG-CB 4.23Å; E789-K845 HydrophobicContact CG-CD 4.15Å; E789-K845 WeakPolarHBondContact OE1-CD 3.39Å; E789-K845 WeakPolarHBondContact OE1-CE 3.2Å; E789-K845 IonicContact OE1-NZ 2.77Å; E789-K845 PolarHBondContact OE1-NZ 2.96Å; E789-F846 PolarHBondContact N-O 3.47Å; E789-T847 CarbonylContact O-C 3.19Å; E789-T847 VanDerWaalsContact O-CA 3.24Å; E789-T847 WeakPolarHBondContact O-CA 3.33Å; E789-I848 PolarHBondContact O-N 3.41Å |
| 790 | Y | 93.1 | Very high | 91 | Very high | 47 Ų | 47 | 59.3 Ų | 59.3 | 18% | 0.184 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.6 | -178.7 | -55.9 | -85.3 | 0 | 0 | 0 | 109.5 | T788 Y794 P796 I801 W805 I848 | T788-Y790 HydrophobicContact CG2-CD1 4.45Å; T788-Y790 HydrophobicContact CG2-CE1 3.85Å; T788-Y790 HydrophobicContact CG2-CE2 4.11Å; Y790-Y794 VanDerWaalsContact CB-O 3.27Å; Y790-Y794 WeakPolarHBondContact CB-O 3.39Å; Y790-P796 HydrophobicContact CD2-CG 3.69Å; Y790-P796 HydrophobicContact CE2-CB 4.22Å; Y790-P796 HydrophobicContact CE2-CG 3.68Å; Y790-I801 HydrophobicContact CD1-CD1 3.85Å; Y790-I801 HydrophobicContact CD1-CG1 4.06Å; Y790-I801 HydrophobicContact CD1-CG2 4.15Å; Y790-I801 HydrophobicContact CE1-CB 4.33Å; Y790-I801 HydrophobicContact CE1-CD1 3.85Å; Y790-I801 HydrophobicContact CE1-CG1 4.05Å; Y790-I801 HydrophobicContact CE1-CG2 3.34Å; Y790-W805 PolarHBondContact OH-NE1 2.87Å; Y790-I848 WeakPolarHBondContact CA-O 3.41Å; Y790-I848 HydrophobicContact CD1-CB 4.05Å; Y790-I848 HydrophobicContact CE1-CB 4.35Å; Y790-I848 HydrophobicContact CE1-CD1 3.98Å; Y790-I848 HydrophobicContact CE1-CG1 4.38Å |
| 791 | T | 88.1 | Confident | 91.2 | Very high | 53 Ų | 53 | 55 Ų | 55 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 166.4 | -174 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | G793 T847 I848 A849 A850 | T791-G793 PolarHBondContact O-N 3.36Å; T791-G793 VanDerWaalsContact O-N 3.13Å; T791-T847 HydrophobicContact CG2-CG2 3.68Å; T791-T847 WeakPolarHBondContact OG1-CG2 3.42Å; T791-I848 PolarHBondContact N-O 2.97Å; T791-I848 PolarHBondContact OG1-O 3.24Å; T791-A849 WeakPolarHBondContact O-CA 3.45Å; T791-A850 PolarHBondContact O-N 3.43Å |
| 792 | S | 79.1 | Confident | 91.2 | Very high | 97 Ų | 97 | 59.2 Ų | 59.2 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 23.2 | 171.7 | -54.3 | 0 | 0 | 0 | 0 | 115.8 | A850 | S792-A850 WeakPolarHBondContact O-CB 3.32Š|
| 793 | G | 78.5 | Confident | 91.3 | Very high | 65 Ų | 65 | 58.3 Ų | 58.3 | 67% | 0.67 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.5 | -8.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | T791 | T791-G793 PolarHBondContact O-N 3.36Å; T791-G793 VanDerWaalsContact O-N 3.13Å |
| 794 | Y | 90.8 | Very high | 91.3 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 7% | 0.071 | 31% | 0.309 | C | S | . | . | trans | -90.2 | 141.3 | 173.8 | -75.8 | -44.2 | 0 | 0 | 0 | 113.5 | Y790 D798 V800 I801 I848 A850 L870 P871 E872 | Y790-Y794 VanDerWaalsContact CB-O 3.27Å; Y790-Y794 WeakPolarHBondContact CB-O 3.39Å; Y794-D798 VanDerWaalsContact CA-OD2 3.32Å; Y794-D798 WeakPolarHBondContact CA-OD2 3.4Å; Y794-D798 HydrophobicContact CD1-CB 4.33Å; Y794-V800 HydrophobicContact CE1-CB 4.01Å; Y794-V800 HydrophobicContact CE1-CG1 4.22Å; Y794-V800 HydrophobicContact CE1-CG2 4.47Å; Y794-I801 HydrophobicContact CD1-CD1 4.19Å; Y794-I801 HydrophobicContact CD1-CG1 4.07Å; Y794-I801 HydrophobicContact CD2-CD1 3.74Å; Y794-I801 HydrophobicContact CD2-CG1 4.44Å; Y794-I801 HydrophobicContact CE2-CD1 4.21Å; Y794-I801 HydrophobicContact CG-CD1 3.74Å; Y794-I801 HydrophobicContact CG-CG1 3.93Å; Y794-I848 HydrophobicContact CD2-CG2 4.03Å; Y794-I848 HydrophobicContact CE2-CG2 4.3Å; Y794-A850 HydrophobicContact CD1-CB 4.14Å; Y794-A850 HydrophobicContact CD2-CB 3.54Å; Y794-A850 HydrophobicContact CE1-CB 4.06Å; Y794-A850 HydrophobicContact CE2-CB 3.48Å; Y794-A850 VanDerWaalsContact CE2-CB 3.48Å; Y794-A850 HydrophobicContact CG-CB 3.86Å; Y794-L870 HydrophobicContact CE2-CB 4.12Å; Y794-L870 VanDerWaalsContact CE2-O 3.32Å; Y794-L870 WeakPolarHBondContact CE2-O 3.19Å; Y794-L870 PolarHBondContact OH-O 3.13Å; Y794-P871 VanDerWaalsContact OH-C 3.29Å; Y794-P871 PolarHBondContact OH-O 3.15Å; Y794-E872 HydrophobicContact CE1-CG 4.04Å; Y794-E872 WeakPolarHBondContact OH-CA 3.27Å; Y794-E872 WeakPolarHBondContact OH-CG 3.39Å; Y794-E872 PolarHBondContact OH-N 2.6Å | ||
| 795 | D | 89.4 | Confident | 91.4 | Very high | 88 Ų | 88 | 57.6 Ų | 57.6 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | trans | -117 | 151.1 | 167.9 | -171.7 | -85.7 | 0 | 0 | 0 | 110.2 | E797 D798 | D795-E797 PolarHBondContact O-N 3.44Å; D795-E797 PolarHBondContact OD1-N 3.09Å; D795-D798 PolarHBondContact N-OD2 3.31Å; D795-D798 WeakPolarHBondContact O-CB 3.47Å; D795-D798 PolarHBondContact O-N 3.21Å | ||
| 796 | P | 87.7 | Confident | 91.4 | Very high | 63 Ų | 63 | 60.4 Ų | 60.4 | 41% | 0.409 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -30 | 173.9 | -27.9 | 31.8 | 0 | 0 | 0 | 115.2 | Y790 D798 | Y790-P796 HydrophobicContact CD2-CG 3.69Å; Y790-P796 HydrophobicContact CE2-CB 4.22Å; Y790-P796 HydrophobicContact CE2-CG 3.68Å; P796-D798 VanDerWaalsContact C-N 3.32Å |
| 797 | E | 89.7 | Confident | 91.5 | Very high | 138 Ų | 138 | 52.2 Ų | 52.2 | 65% | 0.645 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.5 | -179.4 | -62.3 | -57.4 | 145.1 | 0 | 0 | 113.8 | D795 Q802 | D795-E797 PolarHBondContact O-N 3.44Å; D795-E797 PolarHBondContact OD1-N 3.09Å; E797-Q802 PolarHBondContact O-NE2 3.06Å |
| 798 | D | 92.6 | Very high | 91.6 | Very high | 54 Ų | 54 | 50.9 Ų | 50.9 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -66.4 | 139.3 | -178.2 | -77.1 | -37 | 0 | 0 | 0 | 112.2 | Y794 D795 P796 V800 I801 Q802 | Y794-D798 VanDerWaalsContact CA-OD2 3.32Å; Y794-D798 WeakPolarHBondContact CA-OD2 3.4Å; Y794-D798 HydrophobicContact CD1-CB 4.33Å; D795-D798 PolarHBondContact N-OD2 3.31Å; D795-D798 WeakPolarHBondContact O-CB 3.47Å; D795-D798 PolarHBondContact O-N 3.21Å; P796-D798 VanDerWaalsContact C-N 3.32Å; D798-V800 PolarHBondContact O-N 3.36Å; D798-V800 VanDerWaalsContact O-N 3.15Å; D798-I801 HydrophobicContact CB-CG1 4.26Å; D798-I801 PolarHBondContact O-N 3.02Å; D798-Q802 PolarHBondContact O-N 3.48Å |
| 799 | P | 90.9 | Very high | 91.6 | Very high | 68 Ų | 68 | 55.1 Ų | 55.1 | 44% | 0.442 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54.4 | -39.3 | -179.1 | -27.1 | 33.8 | 0 | 0 | 0 | 113.4 | I801 Q802 W803 | P799-I801 PolarHBondContact O-N 3.5Å; P799-Q802 PolarHBondContact O-N 3.44Å; P799-W803 HydrophobicContact CB-CD2 4.5Å; P799-W803 HydrophobicContact CB-CH2 4.05Å; P799-W803 HydrophobicContact CB-CZ2 3.8Å; P799-W803 HydrophobicContact CB-CZ3 4.48Å; P799-W803 WeakPolarHBondContact O-CB 3.38Å; P799-W803 VanDerWaalsContact O-CD1 3.31Å; P799-W803 PolarHBondContact O-N 2.95Å |
| 800 | V | 92.7 | Very high | 91.5 | Very high | 16 Ų | 16 | 58.9 Ų | 58.9 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.8 | -39.4 | -179.3 | -178 | 0 | 0 | 0 | 0 | 111.4 | Y794 D798 W803 F804 L870 L879 | Y794-V800 HydrophobicContact CE1-CB 4.01Å; Y794-V800 HydrophobicContact CE1-CG1 4.22Å; Y794-V800 HydrophobicContact CE1-CG2 4.47Å; D798-V800 PolarHBondContact O-N 3.36Å; D798-V800 VanDerWaalsContact O-N 3.15Å; V800-W803 HydrophobicContact CG2-CE3 4.29Å; V800-W803 HydrophobicContact CG2-CZ3 4.17Å; V800-W803 PolarHBondContact O-N 2.98Å; V800-F804 WeakPolarHBondContact O-CB 3.37Å; V800-F804 PolarHBondContact O-N 3.35Å; V800-L870 HydrophobicContact CG1-CD2 3.97Å; V800-L870 HydrophobicContact CG1-CG 4.42Å; V800-L879 HydrophobicContact CG1-CD1 3.89Å |
| 801 | I | 95.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.3 | -42.9 | 177.3 | -63.6 | -52.1 | 0 | 0 | 0 | 111.1 | Y790 Y794 D798 P799 W803 F804 W805 I848 L870 | Y790-I801 HydrophobicContact CD1-CD1 3.85Å; Y790-I801 HydrophobicContact CD1-CG1 4.06Å; Y790-I801 HydrophobicContact CD1-CG2 4.15Å; Y790-I801 HydrophobicContact CE1-CB 4.33Å; Y790-I801 HydrophobicContact CE1-CD1 3.85Å; Y790-I801 HydrophobicContact CE1-CG1 4.05Å; Y790-I801 HydrophobicContact CE1-CG2 3.34Å; Y794-I801 HydrophobicContact CD1-CD1 4.19Å; Y794-I801 HydrophobicContact CD1-CG1 4.07Å; Y794-I801 HydrophobicContact CD2-CD1 3.74Å; Y794-I801 HydrophobicContact CD2-CG1 4.44Å; Y794-I801 HydrophobicContact CE2-CD1 4.21Å; Y794-I801 HydrophobicContact CG-CD1 3.74Å; Y794-I801 HydrophobicContact CG-CG1 3.93Å; D798-I801 HydrophobicContact CB-CG1 4.26Å; D798-I801 PolarHBondContact O-N 3.02Å; P799-I801 PolarHBondContact O-N 3.5Å; I801-W803 VanDerWaalsContact C-N 3.31Å; I801-W803 PolarHBondContact O-N 3.48Å; I801-F804 WeakPolarHBondContact O-CB 3.41Å; I801-F804 PolarHBondContact O-N 3.25Å; I801-W805 PolarHBondContact O-N 3.07Å; I801-W805 VanDerWaalsContact O-N 3.08Å; I801-I848 HydrophobicContact CD1-CB 4.47Å; I801-I848 HydrophobicContact CD1-CD1 4.32Å; I801-I848 HydrophobicContact CD1-CG2 3.9Å; I801-L870 HydrophobicContact CD1-CD2 4.45Å |
| 802 | Q | 94.4 | Very high | 91.5 | Very high | 99 Ų | 99 | 57.7 Ų | 57.7 | 46% | 0.463 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 174.2 | -65.5 | -175 | 2.4 | 0 | 0 | 111.6 | E797 D798 P799 K806 | E797-Q802 PolarHBondContact O-NE2 3.06Å; D798-Q802 PolarHBondContact O-N 3.48Å; P799-Q802 PolarHBondContact O-N 3.44Å; Q802-K806 VanDerWaalsContact O-CB 3.23Å; Q802-K806 WeakPolarHBondContact O-CB 3.26Å; Q802-K806 PolarHBondContact O-N 3.3Å |
| 803 | W | 95.9 | Very high | 91.8 | Very high | 70 Ų | 70 | 55.5 Ų | 55.5 | 27% | 0.265 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 174.6 | -65.2 | -16.7 | 0 | 0 | 0 | 111.9 | P799 V800 I801 K806 V807 Y873 Q876 L879 | P799-W803 HydrophobicContact CB-CD2 4.5Å; P799-W803 HydrophobicContact CB-CH2 4.05Å; P799-W803 HydrophobicContact CB-CZ2 3.8Å; P799-W803 HydrophobicContact CB-CZ3 4.48Å; P799-W803 WeakPolarHBondContact O-CB 3.38Å; P799-W803 VanDerWaalsContact O-CD1 3.31Å; P799-W803 PolarHBondContact O-N 2.95Å; V800-W803 HydrophobicContact CG2-CE3 4.29Å; V800-W803 HydrophobicContact CG2-CZ3 4.17Å; V800-W803 PolarHBondContact O-N 2.98Å; I801-W803 VanDerWaalsContact C-N 3.31Å; I801-W803 PolarHBondContact O-N 3.48Å; W803-K806 PolarHBondContact O-N 2.84Å; W803-V807 WeakPolarHBondContact O-CG2 3.15Å; W803-V807 PolarHBondContact O-N 3.39Å; W803-Y873 WeakPolarHBondContact CZ3-O 3.45Å; W803-Q876 HydrophobicContact CB-CB 4.21Å; W803-Q876 HydrophobicContact CB-CG 4.08Å; W803-Q876 HydrophobicContact CD2-CB 4.14Å; W803-Q876 HydrophobicContact CG-CB 3.85Å; W803-Q876 HydrophobicContact CG-CG 4.17Å; W803-L879 HydrophobicContact CB-CD1 4.15Å |
| 804 | F | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.3 | -56.8 | 176.7 | 174.1 | -99.4 | 0 | 0 | 0 | 110.9 | V800 I801 K806 V807 V808 L819 F846 I848 L868 L870 L879 L883 | V800-F804 WeakPolarHBondContact O-CB 3.37Å; V800-F804 PolarHBondContact O-N 3.35Å; I801-F804 WeakPolarHBondContact O-CB 3.41Å; I801-F804 PolarHBondContact O-N 3.25Å; F804-K806 VanDerWaalsContact C-N 3.3Å; F804-K806 PolarHBondContact O-N 3.4Å; F804-V807 CarbonylContact O-C 3.47Å; F804-V807 WeakPolarHBondContact O-CA 3.49Å; F804-V807 WeakPolarHBondContact O-CB 3.32Å; F804-V807 PolarHBondContact O-N 3.3Å; F804-V808 HydrophobicContact CD1-CG2 4.23Å; F804-V808 HydrophobicContact CD2-CG2 4.37Å; F804-V808 HydrophobicContact CE1-CG2 3.85Å; F804-V808 HydrophobicContact CE2-CG2 4.01Å; F804-V808 HydrophobicContact CG-CG2 4.48Å; F804-V808 HydrophobicContact CZ-CG2 3.74Å; F804-V808 WeakPolarHBondContact O-CG2 3.27Å; F804-V808 PolarHBondContact O-N 3.48Å; F804-L819 HydrophobicContact CE2-CD2 4.37Å; F804-L819 HydrophobicContact CZ-CD2 4.03Å; F804-F846 HydrophobicContact CZ-CZ 4.37Å; F804-I848 HydrophobicContact CD1-CD1 3.74Å; F804-I848 HydrophobicContact CE1-CD1 3.63Å; F804-I848 HydrophobicContact CG-CD1 4.47Å; F804-I848 HydrophobicContact CZ-CD1 4.28Å; F804-L868 HydrophobicContact CD2-CD2 4.38Å; F804-L868 HydrophobicContact CE2-CD2 3.53Å; F804-L868 HydrophobicContact CZ-CD2 3.68Å; F804-L870 HydrophobicContact CB-CD2 4.13Å; F804-L870 HydrophobicContact CD2-CD2 4.12Å; F804-L870 HydrophobicContact CG-CD2 4.25Å; F804-L879 HydrophobicContact CB-CD1 4.33Å; F804-L883 HydrophobicContact CD2-CD2 4.28Å; F804-L883 HydrophobicContact CE2-CD1 4.48Å; F804-L883 HydrophobicContact CE2-CD2 4.1Å |
| 805 | W | 96.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.8 | -30.4 | -179.2 | -71.5 | 114.2 | 0 | 0 | 0 | 113.4 | V781 W784 C785 T788 Y790 I801 V807 V808 R809 F846 | V781-W805 HydrophobicContact CG1-CE3 4.01Å; V781-W805 HydrophobicContact CG1-CZ3 4.14Å; W784-W805 HydrophobicContact CB-CH2 4.21Å; W784-W805 HydrophobicContact CB-CZ3 4.31Å; W784-W805 AromaticContact CD1-CH2 3.91Å; W784-W805 HydrophobicContact CD2-CH2 4.19Å; W784-W805 HydrophobicContact CD2-CZ3 4.38Å; W784-W805 AromaticContact CG-CH2 3.84Å; W784-W805 HydrophobicContact CG-CH2 3.84Å; W784-W805 HydrophobicContact CG-CZ3 4.22Å; C785-W805 HydrophobicContact CB-CD2 3.96Å; C785-W805 HydrophobicContact CB-CE3 3.98Å; C785-W805 HydrophobicContact CB-CH2 4.24Å; C785-W805 HydrophobicContact CB-CZ2 4.21Å; C785-W805 HydrophobicContact CB-CZ3 4.12Å; T788-W805 HydrophobicContact CG2-CZ2 4.09Å; T788-W805 WeakPolarHBondContact OG1-CZ2 3.38Å; Y790-W805 PolarHBondContact OH-NE1 2.87Å; I801-W805 PolarHBondContact O-N 3.07Å; I801-W805 VanDerWaalsContact O-N 3.08Å; W805-V807 VanDerWaalsContact C-N 3.33Å; W805-V808 HydrophobicContact CE3-CB 4.13Å; W805-V808 HydrophobicContact CE3-CG1 4.16Å; W805-V808 HydrophobicContact CE3-CG2 4.4Å; W805-V808 HydrophobicContact CZ3-CG1 4.13Å; W805-V808 PolarHBondContact O-N 3.24Å; W805-R809 VanDerWaalsContact O-CG 3.29Å; W805-R809 WeakPolarHBondContact O-CG 3.45Å; W805-R809 PolarHBondContact O-N 3.03Å; W805-F846 HydrophobicContact CH2-CE1 4.23Å; W805-F846 HydrophobicContact CZ2-CE1 4.1Å |
| 806 | K | 94.2 | Very high | 92 | Very high | 90 Ų | 90 | 54.5 Ų | 54.5 | 39% | 0.391 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.4 | -34.6 | 172.1 | -173.6 | 179.5 | 175 | -161.9 | 0 | 112.1 | Q802 W803 F804 R810 | Q802-K806 VanDerWaalsContact O-CB 3.23Å; Q802-K806 WeakPolarHBondContact O-CB 3.26Å; Q802-K806 PolarHBondContact O-N 3.3Å; W803-K806 PolarHBondContact O-N 2.84Å; F804-K806 VanDerWaalsContact C-N 3.3Å; F804-K806 PolarHBondContact O-N 3.4Å; K806-R810 WeakPolarHBondContact O-CG 3.23Å |
| 807 | V | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.4 | -51 | 171.7 | 170.1 | 0 | 0 | 0 | 0 | 109.7 | W803 F804 W805 R809 R810 L811 Q876 L879 R880 L883 | W803-V807 WeakPolarHBondContact O-CG2 3.15Å; W803-V807 PolarHBondContact O-N 3.39Å; F804-V807 CarbonylContact O-C 3.47Å; F804-V807 WeakPolarHBondContact O-CA 3.49Å; F804-V807 WeakPolarHBondContact O-CB 3.32Å; F804-V807 PolarHBondContact O-N 3.3Å; W805-V807 VanDerWaalsContact C-N 3.33Å; V807-R809 VanDerWaalsContact C-N 3.31Å; V807-R809 PolarHBondContact O-N 3.08Å; V807-R810 CarbonylContact O-C 3.57Å; V807-R810 WeakPolarHBondContact O-CA 3.25Å; V807-R810 WeakPolarHBondContact O-CB 3.37Å; V807-R810 PolarHBondContact O-N 2.77Å; V807-L811 HydrophobicContact CG1-CD2 4.21Å; V807-L811 HydrophobicContact CG1-CG 4.45Å; V807-L811 WeakPolarHBondContact O-CG 3.49Å; V807-L811 PolarHBondContact O-N 3.11Å; V807-Q876 HydrophobicContact CG2-CG 4.01Å; V807-L879 HydrophobicContact CB-CD2 4.3Å; V807-L879 HydrophobicContact CG2-CD2 4.07Å; V807-R880 HydrophobicContact CG1-CB 4.18Å; V807-R880 HydrophobicContact CG1-CG 4.07Å; V807-R880 HydrophobicContact CG2-CB 3.97Å; V807-L883 HydrophobicContact CG1-CD2 4.18Å |
| 808 | V | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.9 | -40.9 | -180 | 176.6 | 0 | 0 | 0 | 0 | 112.6 | V781 F804 W805 R810 L811 R816 L819 | V781-V808 HydrophobicContact CG1-CG1 3.84Å; V781-V808 HydrophobicContact CG2-CG1 4.32Å; F804-V808 HydrophobicContact CD1-CG2 4.23Å; F804-V808 HydrophobicContact CD2-CG2 4.37Å; F804-V808 HydrophobicContact CE1-CG2 3.85Å; F804-V808 HydrophobicContact CE2-CG2 4.01Å; F804-V808 HydrophobicContact CG-CG2 4.48Å; F804-V808 HydrophobicContact CZ-CG2 3.74Å; F804-V808 WeakPolarHBondContact O-CG2 3.27Å; F804-V808 PolarHBondContact O-N 3.48Å; W805-V808 HydrophobicContact CE3-CB 4.13Å; W805-V808 HydrophobicContact CE3-CG1 4.16Å; W805-V808 HydrophobicContact CE3-CG2 4.4Å; W805-V808 HydrophobicContact CZ3-CG1 4.13Å; W805-V808 PolarHBondContact O-N 3.24Å; V808-R810 PolarHBondContact O-N 3.4Å; V808-L811 HydrophobicContact CG2-CD1 4.48Å; V808-L811 WeakPolarHBondContact O-CB 3.44Å; V808-L811 PolarHBondContact O-N 2.92Å; V808-R816 PolarHBondContact O-NE 3.33Å; V808-L819 HydrophobicContact CG1-CD2 4.33Å; V808-L819 HydrophobicContact CG2-CD2 3.61Å |
| 809 | R | 94.7 | Very high | 91.9 | Very high | 103 Ų | 103 | 43.9 Ų | 43.9 | 39% | 0.389 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.1 | -30.7 | 174.3 | -73.8 | 177.8 | -174.9 | 103.2 | -0.5 | 113.4 | V781 E782 W805 V807 R816 | V781-R809 HydrophobicContact CG1-CG 3.85Å; E782-R809 IonicContact OE1-CZ 3.46Å; E782-R809 IonicContact OE1-NE 2.68Å; E782-R809 PolarHBondContact OE1-NE 3.45Å; E782-R809 IonicContact OE1-NH2 3.38Å; E782-R809 PolarHBondContact OE1-NH2 2.86Å; E782-R809 IonicContact OE2-CZ 3.51Å; E782-R809 IonicContact OE2-NE 2.62Å; E782-R809 IonicContact OE2-NH2 3.48Å; E782-R809 PolarHBondContact OE2-NH2 3.28Å; W805-R809 VanDerWaalsContact O-CG 3.29Å; W805-R809 WeakPolarHBondContact O-CG 3.45Å; W805-R809 PolarHBondContact O-N 3.03Å; V807-R809 VanDerWaalsContact C-N 3.31Å; V807-R809 PolarHBondContact O-N 3.08Å; R809-R816 PolarHBondContact O-NH2 3.17Å |
| 810 | R | 92.9 | Very high | 91.8 | Very high | 157 Ų | 157 | 40.6 Ų | 40.6 | 59% | 0.592 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -88.7 | -11.2 | 179.2 | -69.3 | 179.1 | 177.6 | -157.6 | -2.6 | 113.7 | K806 V807 V808 | K806-R810 WeakPolarHBondContact O-CG 3.23Å; V807-R810 CarbonylContact O-C 3.57Å; V807-R810 WeakPolarHBondContact O-CA 3.25Å; V807-R810 WeakPolarHBondContact O-CB 3.37Å; V807-R810 PolarHBondContact O-N 2.77Å; V808-R810 PolarHBondContact O-N 3.4Å |
| 811 | L | 90.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -65.1 | 149.1 | 174.1 | -66.2 | -177.2 | 0 | 0 | 0 | 110.5 | V807 V808 E815 R816 L819 L884 | V807-L811 HydrophobicContact CG1-CD2 4.21Å; V807-L811 HydrophobicContact CG1-CG 4.45Å; V807-L811 WeakPolarHBondContact O-CG 3.49Å; V807-L811 PolarHBondContact O-N 3.11Å; V808-L811 HydrophobicContact CG2-CD1 4.48Å; V808-L811 WeakPolarHBondContact O-CB 3.44Å; V808-L811 PolarHBondContact O-N 2.92Å; L811-E815 WeakPolarHBondContact CA-OE2 3.27Å; L811-E815 HydrophobicContact CB-CB 3.8Å; L811-E815 HydrophobicContact CD1-CB 4.25Å; L811-E815 HydrophobicContact CD2-CB 4.12Å; L811-E815 WeakPolarHBondContact CD2-OE2 3.43Å; L811-E815 HydrophobicContact CG-CB 4.25Å; L811-R816 HydrophobicContact CB-CG 3.91Å; L811-R816 VanDerWaalsContact O-CZ 3.3Å; L811-R816 PolarHBondContact O-NE 3.34Å; L811-R816 PolarHBondContact O-NH2 3.03Å; L811-R816 VanDerWaalsContact O-NH2 3.11Å; L811-L819 HydrophobicContact CD1-CD2 4.44Å; L811-L884 HydrophobicContact CD2-CD2 3.84Å |
| 812 | T | 88.7 | Confident | 91 | Very high | 72 Ų | 72 | 41.2 Ų | 41.2 | 44% | 0.442 | 18% | 0.18 | S | C | . | . | trans | -65.5 | 166.2 | 169.1 | 70.4 | 0 | 0 | 0 | 0 | 110.4 | E814 E815 R816 | T812-E814 VanDerWaalsContact C-N 3.27Å; T812-E814 PolarHBondContact O-N 2.73Å; T812-E815 PolarHBondContact N-OE2 3.44Å; T812-E815 PolarHBondContact O-N 3.5Å; T812-E815 WeakPolarHBondContact OG1-CG 3.43Å; T812-E815 PolarHBondContact OG1-N 3.48Å; T812-E815 PolarHBondContact OG1-OE2 3.38Å; T812-R816 WeakPolarHBondContact O-CG 3.31Å; T812-R816 PolarHBondContact O-N 2.77Å | ||
| 813 | Q | 86.3 | Confident | 90.6 | Very high | 51 Ų | 51 | 36.5 Ų | 36.5 | 24% | 0.238 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 177.4 | -169.8 | 56.9 | 26.6 | 0 | 0 | 111.6 | M776 P777 R816 V817 | M776-Q813 HydrophobicContact CG-CG 4.33Å; M776-Q813 HydrophobicContact SD-CB 4.32Å; M776-Q813 HydrophobicContact SD-CG 3.96Å; P777-Q813 PolarHBondContact O-NE2 2.62Å; Q813-R816 PolarHBondContact O-N 3.18Å; Q813-V817 VanDerWaalsContact O-CG2 3.31Å; Q813-V817 WeakPolarHBondContact O-CG2 3.41Å; Q813-V817 PolarHBondContact O-N 3.3Å |
| 814 | E | 83.9 | Confident | 90 | Very high | 67 Ų | 67 | 33.6 Ų | 33.6 | 31% | 0.313 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.5 | -49.2 | 175.3 | -69.4 | 171.9 | -176.5 | 0 | 0 | 111.7 | M776 T812 R816 V817 L818 | M776-E814 HydrophobicContact CE-CG 3.45Å; M776-E814 VanDerWaalsContact CE-CG 3.45Å; M776-E814 HydrophobicContact SD-CG 4.16Å; T812-E814 VanDerWaalsContact C-N 3.27Å; T812-E814 PolarHBondContact O-N 2.73Å; E814-R816 VanDerWaalsContact C-N 3.3Å; E814-R816 PolarHBondContact O-N 3.49Å; E814-V817 PolarHBondContact O-N 3.43Å; E814-V817 VanDerWaalsContact O-N 3.16Å; E814-L818 WeakPolarHBondContact O-CG 3.41Å; E814-L818 PolarHBondContact O-N 3Å |
| 815 | E | 87.5 | Confident | 89.1 | Confident | 35 Ų | 35 | 34.1 Ų | 34.1 | 16% | 0.164 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -34.9 | 178.7 | -72.6 | 170.9 | 155 | 0 | 0 | 112.5 | L811 T812 L819 L884 | L811-E815 WeakPolarHBondContact CA-OE2 3.27Å; L811-E815 HydrophobicContact CB-CB 3.8Å; L811-E815 HydrophobicContact CD1-CB 4.25Å; L811-E815 HydrophobicContact CD2-CB 4.12Å; L811-E815 WeakPolarHBondContact CD2-OE2 3.43Å; L811-E815 HydrophobicContact CG-CB 4.25Å; T812-E815 PolarHBondContact N-OE2 3.44Å; T812-E815 PolarHBondContact O-N 3.5Å; T812-E815 WeakPolarHBondContact OG1-CG 3.43Å; T812-E815 PolarHBondContact OG1-N 3.48Å; T812-E815 PolarHBondContact OG1-OE2 3.38Å; E815-L819 PolarHBondContact O-N 2.73Å; E815-L884 HydrophobicContact CG-CD2 4.31Å |
| 816 | R | 92.3 | Very high | 88.4 | Confident | 49 Ų | 49 | 33.8 Ų | 33.8 | 19% | 0.185 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.1 | -38.9 | 174.9 | -68.5 | 171.5 | -167.7 | 155.4 | 1.7 | 112.1 | I779 V808 R809 L811 T812 Q813 E814 L819 L820 | I779-R816 HydrophobicContact CD1-CB 3.93Å; V808-R816 PolarHBondContact O-NE 3.33Å; R809-R816 PolarHBondContact O-NH2 3.17Å; L811-R816 HydrophobicContact CB-CG 3.91Å; L811-R816 VanDerWaalsContact O-CZ 3.3Å; L811-R816 PolarHBondContact O-NE 3.34Å; L811-R816 PolarHBondContact O-NH2 3.03Å; L811-R816 VanDerWaalsContact O-NH2 3.11Å; T812-R816 WeakPolarHBondContact O-CG 3.31Å; T812-R816 PolarHBondContact O-N 2.77Å; Q813-R816 PolarHBondContact O-N 3.18Å; E814-R816 VanDerWaalsContact C-N 3.3Å; E814-R816 PolarHBondContact O-N 3.49Å; R816-L819 PolarHBondContact O-N 2.88Å; R816-L820 PolarHBondContact O-N 3.34Å |
| 817 | V | 89.2 | Confident | 88 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.9 | -41.2 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | L771 M776 P777 I779 Q813 E814 L819 L820 Q821 | L771-V817 HydrophobicContact CD1-CG1 4.04Å; L771-V817 HydrophobicContact CD2-CG1 3.52Å; L771-V817 HydrophobicContact CG-CG1 4.38Å; M776-V817 HydrophobicContact CG-CG2 4.33Å; P777-V817 HydrophobicContact CG-CG1 4.48Å; P777-V817 HydrophobicContact CG-CG2 3.92Å; I779-V817 HydrophobicContact CD1-CB 4.32Å; I779-V817 HydrophobicContact CD1-CG2 3.65Å; I779-V817 HydrophobicContact CG1-CG2 4.4Å; Q813-V817 VanDerWaalsContact O-CG2 3.31Å; Q813-V817 WeakPolarHBondContact O-CG2 3.41Å; Q813-V817 PolarHBondContact O-N 3.3Å; E814-V817 PolarHBondContact O-N 3.43Å; E814-V817 VanDerWaalsContact O-N 3.16Å; V817-L819 VanDerWaalsContact C-N 3.32Å; V817-L819 PolarHBondContact O-N 2.98Å; V817-L820 WeakPolarHBondContact O-CB 3.28Å; V817-L820 PolarHBondContact O-N 2.85Å; V817-L820 VanDerWaalsContact O-N 3.12Å; V817-Q821 HydrophobicContact CG1-CG 4.47Å; V817-Q821 WeakPolarHBondContact O-CG 3.36Å; V817-Q821 PolarHBondContact O-N 2.93Å |
| 818 | L | 86.9 | Confident | 87.5 | Confident | 31 Ų | 31 | 33.4 Ų | 33.4 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 172.3 | -73.1 | 173.4 | 0 | 0 | 0 | 111.7 | Y767 E814 L820 Q821 F822 | Y767-L818 HydrophobicContact CD1-CD2 4.33Å; Y767-L818 HydrophobicContact CG-CD2 4.28Å; E814-L818 WeakPolarHBondContact O-CG 3.41Å; E814-L818 PolarHBondContact O-N 3Å; L818-L820 VanDerWaalsContact C-N 3.31Å; L818-L820 PolarHBondContact O-N 2.97Å; L818-Q821 PolarHBondContact O-N 3.15Å; L818-F822 WeakPolarHBondContact O-CB 3.36Å; L818-F822 PolarHBondContact O-N 3.42Å |
| 819 | L | 90.4 | Very high | 87 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 174.2 | 178.6 | 61.3 | 0 | 0 | 0 | 112.3 | W784 F804 V808 L811 E815 R816 V817 F822 V823 L883 L887 | W784-L819 HydrophobicContact CH2-CB 4.46Å; W784-L819 HydrophobicContact CH2-CD2 4.24Å; W784-L819 HydrophobicContact CH2-CG 4Å; F804-L819 HydrophobicContact CE2-CD2 4.37Å; F804-L819 HydrophobicContact CZ-CD2 4.03Å; V808-L819 HydrophobicContact CG1-CD2 4.33Å; V808-L819 HydrophobicContact CG2-CD2 3.61Å; L811-L819 HydrophobicContact CD1-CD2 4.44Å; E815-L819 PolarHBondContact O-N 2.73Å; R816-L819 PolarHBondContact O-N 2.88Å; V817-L819 VanDerWaalsContact C-N 3.32Å; V817-L819 PolarHBondContact O-N 2.98Å; L819-F822 PolarHBondContact O-N 2.86Å; L819-V823 HydrophobicContact CD1-CG2 4.22Å; L819-V823 WeakPolarHBondContact O-CG2 3.41Å; L819-V823 PolarHBondContact O-N 2.9Å; L819-L883 HydrophobicContact CD1-CD1 4.14Å; L819-L887 HydrophobicContact CB-CD1 4.05Å; L819-L887 HydrophobicContact CB-CD2 4.14Å; L819-L887 HydrophobicContact CD1-CD2 3.96Å |
| 820 | L | 90.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -52.8 | 176.5 | -177.3 | 58.3 | 0 | 0 | 0 | 110.4 | I779 W784 R816 V817 L818 F822 V823 T824 S827 V829 F834 | I779-L820 HydrophobicContact CD1-CB 4.24Å; I779-L820 HydrophobicContact CD1-CD2 4.04Å; W784-L820 HydrophobicContact CH2-CB 3.82Å; W784-L820 HydrophobicContact CH2-CD1 3.93Å; W784-L820 HydrophobicContact CH2-CG 4.48Å; W784-L820 HydrophobicContact CZ2-CD1 3.88Å; W784-L820 HydrophobicContact CZ3-CB 4.29Å; R816-L820 PolarHBondContact O-N 3.34Å; V817-L820 WeakPolarHBondContact O-CB 3.28Å; V817-L820 PolarHBondContact O-N 2.85Å; V817-L820 VanDerWaalsContact O-N 3.12Å; L818-L820 VanDerWaalsContact C-N 3.31Å; L818-L820 PolarHBondContact O-N 2.97Å; L820-F822 VanDerWaalsContact C-N 3.25Å; L820-F822 PolarHBondContact O-N 3.02Å; L820-V823 PolarHBondContact O-N 2.8Å; L820-T824 HydrophobicContact CD1-CG2 3.64Å; L820-T824 PolarHBondContact O-N 3.15Å; L820-T824 PolarHBondContact O-OG1 2.88Å; L820-S827 WeakPolarHBondContact CD2-O 3.5Å; L820-V829 HydrophobicContact CD2-CG2 3.99Å; L820-F834 HydrophobicContact CD1-CE1 3.75Å; L820-F834 HydrophobicContact CD1-CZ 4.37Å; L820-F834 HydrophobicContact CD2-CE1 4.46Å; L820-F834 HydrophobicContact CD2-CZ 4.42Å |
| 821 | Q | 85.8 | Confident | 85.6 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.7 | -40.6 | 176.1 | -73.7 | 173.9 | -49.3 | 0 | 0 | 112.2 | Y767 E770 V817 L818 V823 G825 | Y767-Q821 HydrophobicContact CD1-CB 3.88Å; Y767-Q821 HydrophobicContact CD1-CG 4.39Å; Y767-Q821 HydrophobicContact CE1-CB 4.11Å; Y767-Q821 PolarHBondContact O-NE2 3.01Å; E770-Q821 PolarHBondContact OE2-NE2 2.93Å; V817-Q821 HydrophobicContact CG1-CG 4.47Å; V817-Q821 WeakPolarHBondContact O-CG 3.36Å; V817-Q821 PolarHBondContact O-N 2.93Å; L818-Q821 PolarHBondContact O-N 3.15Å; Q821-V823 VanDerWaalsContact C-N 3.3Å; Q821-V823 PolarHBondContact O-N 3.11Å; Q821-G825 WeakPolarHBondContact O-CA 3.36Å; Q821-G825 PolarHBondContact O-N 3.37Å |
| 822 | F | 85.3 | Confident | 85 | Confident | 28 Ų | 28 | 34.9 Ų | 34.9 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -37.2 | 178.3 | -179.9 | -107.8 | 0 | 0 | 0 | 112.1 | L818 L819 L820 S861 L868 A886 L887 | L818-F822 WeakPolarHBondContact O-CB 3.36Å; L818-F822 PolarHBondContact O-N 3.42Å; L819-F822 PolarHBondContact O-N 2.86Å; L820-F822 VanDerWaalsContact C-N 3.25Å; L820-F822 PolarHBondContact O-N 3.02Å; F822-S861 WeakPolarHBondContact O-CB 3.42Å; F822-S861 PolarHBondContact O-OG 3.33Å; F822-L868 HydrophobicContact CD1-CD1 4.32Å; F822-L868 HydrophobicContact CE1-CD1 3.92Å; F822-A886 HydrophobicContact CZ-CB 4.47Å; F822-L887 HydrophobicContact CB-CD2 3.62Å; F822-L887 HydrophobicContact CD1-CD2 3.98Å; F822-L887 HydrophobicContact CD2-CD2 4.44Å; F822-L887 HydrophobicContact CG-CD2 3.77Å |
| 823 | V | 86.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -97.7 | -27.4 | -174.4 | -172.9 | 0 | 0 | 0 | 0 | 114.1 | L819 L820 Q821 F846 T863 L868 | L819-V823 HydrophobicContact CD1-CG2 4.22Å; L819-V823 WeakPolarHBondContact O-CG2 3.41Å; L819-V823 PolarHBondContact O-N 2.9Å; L820-V823 PolarHBondContact O-N 2.8Å; Q821-V823 VanDerWaalsContact C-N 3.3Å; Q821-V823 PolarHBondContact O-N 3.11Å; V823-F846 HydrophobicContact CB-CD2 4.29Å; V823-F846 HydrophobicContact CB-CE2 3.78Å; V823-F846 HydrophobicContact CG1-CD2 3.66Å; V823-F846 HydrophobicContact CG1-CE2 3.36Å; V823-F846 HydrophobicContact CG2-CE2 3.94Å; V823-T863 VanDerWaalsContact O-CA 3.31Å; V823-T863 WeakPolarHBondContact O-CA 3.43Å; V823-L868 HydrophobicContact CG1-CB 4.17Å; V823-L868 HydrophobicContact CG2-CB 4.07Å; V823-L868 HydrophobicContact CG2-CD1 3.93Å; V823-L868 HydrophobicContact CG2-CG 4.45Å |
| 824 | T | 83.1 | Confident | 85.2 | Confident | 8 Ų | 8 | 29.9 Ų | 29.9 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -110.2 | -13.9 | -177.6 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | L820 S826 L837 N866 | L820-T824 HydrophobicContact CD1-CG2 3.64Å; L820-T824 PolarHBondContact O-N 3.15Å; L820-T824 PolarHBondContact O-OG1 2.88Å; T824-S826 VanDerWaalsContact C-N 3.29Å; T824-S826 PolarHBondContact OG1-N 3.2Å; T824-S826 PolarHBondContact OG1-O 2.7Å; T824-L837 HydrophobicContact CG2-CD1 4.35Å; T824-L837 HydrophobicContact CG2-CD2 3.99Å; T824-N866 HydrophobicContact CG2-CB 4.5Å |
| 825 | G | 77.1 | Confident | 85.4 | Confident | 11 Ų | 11 | 28.2 Ų | 28.2 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 87.9 | -13.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | R652 Q821 | R652-G825 PolarHBondContact NH2-O 2.87Å; Q821-G825 WeakPolarHBondContact O-CA 3.36Å; Q821-G825 PolarHBondContact O-N 3.37Å |
| 826 | S | 81 | Confident | 85.4 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -141.4 | 154.1 | -177.4 | 176.8 | 0 | 0 | 0 | 0 | 112 | Y649 E770 T824 R828 | Y649-S826 VanDerWaalsContact CD1-OG 3.31Å; Y649-S826 WeakPolarHBondContact CD1-OG 3.39Å; E770-S826 PolarHBondContact OE1-OG 3.09Å; T824-S826 VanDerWaalsContact C-N 3.29Å; T824-S826 PolarHBondContact OG1-N 3.2Å; T824-S826 PolarHBondContact OG1-O 2.7Å; S826-R828 VanDerWaalsContact C-N 3.25Å; S826-R828 PolarHBondContact O-N 3.31Å; S826-R828 WeakPolarHBondContact OG-CB 3.5Å; S826-R828 PolarHBondContact OG-N 3.41Å; S826-R828 VanDerWaalsContact OG-N 3.13Å |
| 827 | S | 86.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -77 | -8 | 171.6 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | E770 P777 L820 V829 | E770-S827 WeakPolarHBondContact OE1-CB 3.33Å; E770-S827 PolarHBondContact OE1-N 2.89Å; E770-S827 PolarHBondContact OE1-OG 2.94Å; P777-S827 WeakPolarHBondContact CG-O 3.45Å; L820-S827 WeakPolarHBondContact CD2-O 3.5Å; S827-V829 PolarHBondContact O-N 3.19Å | ||
| 828 | R | 84.2 | Confident | 84.6 | Confident | 83 Ų | 83 | 33.8 Ų | 33.8 | 31% | 0.313 | 19% | 0.188 | S | C | . | . | P | Polyproline II helix | trans | -62.1 | 125.5 | -173.9 | -171.1 | -179.7 | -175 | 176.4 | 1.8 | 112.9 | Y649 S826 | Y649-R828 HydrophobicContact CD1-CB 4.22Å; Y649-R828 HydrophobicContact CD2-CB 4.21Å; Y649-R828 HydrophobicContact CD2-CG 4.26Å; Y649-R828 HydrophobicContact CE1-CB 3.85Å; Y649-R828 HydrophobicContact CE1-CG 4.48Å; Y649-R828 HydrophobicContact CE2-CB 3.86Å; Y649-R828 HydrophobicContact CE2-CG 3.66Å; Y649-R828 HydrophobicContact CG-CB 4.38Å; S826-R828 VanDerWaalsContact C-N 3.25Å; S826-R828 PolarHBondContact O-N 3.31Å; S826-R828 WeakPolarHBondContact OG-CB 3.5Å; S826-R828 PolarHBondContact OG-N 3.41Å; S826-R828 VanDerWaalsContact OG-N 3.13Å |
| 829 | V | 85.3 | Confident | 84.1 | Confident | 42 Ų | 42 | 32.3 Ų | 32.3 | 26% | 0.255 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -96.5 | 123.2 | 166.3 | -177.3 | 0 | 0 | 0 | 0 | 109 | P777 I779 L820 S827 F834 | P777-V829 HydrophobicContact CB-CG2 4.19Å; I779-V829 HydrophobicContact CG1-CG2 4.34Å; L820-V829 HydrophobicContact CD2-CG2 3.99Å; S827-V829 PolarHBondContact O-N 3.19Å; V829-F834 HydrophobicContact CG2-CZ 4.43Å |
| 830 | P | 82.9 | Confident | 83 | Confident | 25 Ų | 25 | 34.4 Ų | 34.4 | 16% | 0.162 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 149.7 | 179.9 | -22.3 | 31.5 | 0 | 0 | 0 | 113.6 | G832 G833 F836 L837 | P830-G832 PolarHBondContact O-N 3.03Å; P830-G832 VanDerWaalsContact O-N 3.09Å; P830-G833 PolarHBondContact O-N 2.98Å; P830-F836 HydrophobicContact CB-CB 3.93Å; P830-F836 WeakPolarHBondContact CB-O 3.32Å; P830-F836 WeakPolarHBondContact CG-O 3.36Å; P830-L837 HydrophobicContact CG-CD1 4.03Å |
| 831 | H | 75.1 | Confident | 82.1 | Confident | 166 Ų | 166 | 39.5 Ų | 39.5 | 77% | 0.769 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 111.1 | 170.3 | -71.7 | 75.6 | 0 | 0 | 0 | 108.8 | ||
| 832 | G | 78.2 | Confident | 81.7 | Confident | 60 Ų | 60 | 40.4 Ų | 40.4 | 62% | 0.619 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 109.9 | 1.3 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | P830 F836 | P830-G832 PolarHBondContact O-N 3.03Å; P830-G832 VanDerWaalsContact O-N 3.09Å; G832-F836 WeakPolarHBondContact O-CD2 3.46Å |
| 833 | G | 86.8 | Confident | 81.7 | Confident | 16 Ų | 16 | 44.5 Ų | 44.5 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | trans | 89.6 | -170.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D783 P830 A835 F836 | D783-G833 WeakPolarHBondContact OD2-CA 3.36Å; P830-G833 PolarHBondContact O-N 2.98Å; G833-A835 PolarHBondContact O-N 2.89Å; G833-A835 VanDerWaalsContact O-N 3.13Å; G833-F836 PolarHBondContact O-N 3.44Å; G833-F836 VanDerWaalsContact O-N 3.09Å | ||
| 834 | F | 91.1 | Very high | 81.6 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -68.2 | -11.6 | -173.5 | -75.6 | -83.4 | 0 | 0 | 0 | 114.1 | I779 D783 W784 N787 L820 V829 F836 L837 | I779-F834 HydrophobicContact CG2-CE2 4.08Å; I779-F834 HydrophobicContact CG2-CZ 3.99Å; D783-F834 HydrophobicContact CB-CD2 4.43Å; D783-F834 PolarHBondContact OD2-N 2.79Å; W784-F834 HydrophobicContact CB-CD1 4.22Å; W784-F834 HydrophobicContact CB-CD2 3.56Å; W784-F834 HydrophobicContact CB-CE1 4.28Å; W784-F834 HydrophobicContact CB-CE2 3.63Å; W784-F834 HydrophobicContact CB-CG 3.87Å; W784-F834 HydrophobicContact CB-CZ 4Å; W784-F834 AromaticContact CD1-CD1 3.6Å; W784-F834 AromaticContact CD1-CE1 3.86Å; W784-F834 AromaticContact CD1-CG 3.93Å; W784-F834 HydrophobicContact CD2-CD1 4.15Å; W784-F834 AromaticContact CD2-CE1 3.6Å; W784-F834 HydrophobicContact CD2-CE1 3.6Å; W784-F834 HydrophobicContact CD2-CE2 4.2Å; W784-F834 AromaticContact CD2-CZ 3.63Å; W784-F834 HydrophobicContact CD2-CZ 3.63Å; W784-F834 AromaticContact CE2-CE1 3.79Å; W784-F834 HydrophobicContact CE3-CE1 4.11Å; W784-F834 HydrophobicContact CE3-CE2 4.36Å; W784-F834 AromaticContact CE3-CZ 3.74Å; W784-F834 HydrophobicContact CE3-CZ 3.74Å; W784-F834 AromaticContact CG-CD1 3.74Å; W784-F834 HydrophobicContact CG-CD1 3.74Å; W784-F834 AromaticContact CG-CD2 3.99Å; W784-F834 HydrophobicContact CG-CD2 3.99Å; W784-F834 AromaticContact CG-CE1 3.68Å; W784-F834 HydrophobicContact CG-CE1 3.68Å; W784-F834 AromaticContact CG-CE2 3.93Å; W784-F834 HydrophobicContact CG-CE2 3.93Å; W784-F834 AromaticContact CG-CG 3.89Å; W784-F834 HydrophobicContact CG-CG 3.89Å; W784-F834 AromaticContact CG-CZ 3.77Å; W784-F834 HydrophobicContact CG-CZ 3.77Å; W784-F834 HydrophobicContact CZ2-CE1 4.44Å; W784-F834 HydrophobicContact CZ3-CZ 4.43Å; W784-F834 AromaticContact NE1-CD1 3.94Å; W784-F834 AromaticContact NE1-CE1 3.93Å; N787-F834 HydrophobicContact CB-CB 4Å; L820-F834 HydrophobicContact CD1-CE1 3.75Å; L820-F834 HydrophobicContact CD1-CZ 4.37Å; L820-F834 HydrophobicContact CD2-CE1 4.46Å; L820-F834 HydrophobicContact CD2-CZ 4.42Å; V829-F834 HydrophobicContact CG2-CZ 4.43Å; F834-F836 PolarHBondContact O-N 2.9Å; F834-L837 HydrophobicContact CD1-CD1 4.35Å; F834-L837 PolarHBondContact O-N 3.32Å |
| 835 | A | 88.4 | Confident | 81.9 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 26% | 0.256 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -63.2 | -26.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N787 G833 | N787-A835 WeakPolarHBondContact OD1-CB 3.43Å; G833-A835 PolarHBondContact O-N 2.89Å; G833-A835 VanDerWaalsContact O-N 3.13Å |
| 836 | F | 87.5 | Confident | 82.7 | Confident | 114 Ų | 114 | 49.7 Ų | 49.7 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -105 | 25.1 | -176.4 | -62.9 | -84.7 | 0 | 0 | 0 | 113.3 | P830 G832 G833 F834 M838 L843 | P830-F836 HydrophobicContact CB-CB 3.93Å; P830-F836 WeakPolarHBondContact CB-O 3.32Å; P830-F836 WeakPolarHBondContact CG-O 3.36Å; G832-F836 WeakPolarHBondContact O-CD2 3.46Å; G833-F836 PolarHBondContact O-N 3.44Å; G833-F836 VanDerWaalsContact O-N 3.09Å; F834-F836 PolarHBondContact O-N 2.9Å; F836-M838 PolarHBondContact O-N 2.89Å; F836-L843 HydrophobicContact CB-CD1 4.49Å; F836-L843 HydrophobicContact CD1-CD1 4.32Å |
| 837 | L | 85.7 | Confident | 83.3 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | trans | -65 | 132.6 | 178.6 | -157 | 72.1 | 0 | 0 | 0 | 110.3 | T824 P830 F834 Q844 F846 N866 | T824-L837 HydrophobicContact CG2-CD1 4.35Å; T824-L837 HydrophobicContact CG2-CD2 3.99Å; P830-L837 HydrophobicContact CG-CD1 4.03Å; F834-L837 HydrophobicContact CD1-CD1 4.35Å; F834-L837 PolarHBondContact O-N 3.32Å; L837-Q844 WeakPolarHBondContact CB-O 3.29Å; L837-Q844 CarbonylContact O-C 3.53Å; L837-Q844 PolarHBondContact O-N 3.48Å; L837-F846 HydrophobicContact CD2-CB 4.1Å; L837-N866 HydrophobicContact CD2-CB 3.83Å; L837-N866 WeakPolarHBondContact CD2-ND2 3.37Å | ||
| 838 | M | 79.3 | Confident | 83.7 | Confident | 80 Ų | 80 | 50.1 Ų | 50.1 | 39% | 0.394 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 142.4 | 179.7 | -66.3 | -69.4 | -69.9 | 0 | 0 | 109.1 | T611 F836 G842 N866 | T611-M838 HydrophobicContact CG2-CB 3.83Å; F836-M838 PolarHBondContact O-N 2.89Å; M838-G842 CarbonylContact C-O 3.51Å; M838-G842 WeakPolarHBondContact CA-O 3.32Å; M838-N866 PolarHBondContact O-ND2 2.83Å |
| 839 | G | 77.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | -169.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | D609 S841 G842 | D609-G839 CarbonylContact O-C 3.59Å; D609-G839 VanDerWaalsContact O-C 3.27Å; D609-G839 WeakPolarHBondContact O-CA 3.38Å; G839-S841 PolarHBondContact O-N 3.21Å; G839-G842 PolarHBondContact N-O 3.29Å; G839-G842 PolarHBondContact O-N 3.33Å; G839-G842 VanDerWaalsContact O-N 3.08Å |
| 840 | G | 66 | Low | 84.4 | Confident | 44 Ų | 44 | 45.1 Ų | 45.1 | 45% | 0.454 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | A608 C864 | A608-G840 WeakPolarHBondContact O-CA 3.37Å; G840-C864 PolarHBondContact N-O 3.19Å |
| 841 | S | 71.6 | Confident | 84.7 | Confident | 106 Ų | 106 | 45.7 Ų | 45.7 | 74% | 0.741 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 11.6 | 177.3 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | G839 | G839-S841 PolarHBondContact O-N 3.21Š|
| 842 | G | 77.9 | Confident | 85.1 | Confident | 22 Ų | 22 | 42.7 Ų | 42.7 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 113.2 | -141.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M838 G839 Q844 | M838-G842 CarbonylContact C-O 3.51Å; M838-G842 WeakPolarHBondContact CA-O 3.32Å; G839-G842 PolarHBondContact N-O 3.29Å; G839-G842 PolarHBondContact O-N 3.33Å; G839-G842 VanDerWaalsContact O-N 3.08Å; G842-Q844 PolarHBondContact O-N 3.34Å |
| 843 | L | 83.5 | Confident | 85.4 | Confident | 114 Ų | 114 | 44 Ų | 44 | 60% | 0.597 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 114.9 | -177.8 | -167.1 | 89.1 | 0 | 0 | 0 | 110.8 | F836 | F836-L843 HydrophobicContact CB-CD1 4.49Å; F836-L843 HydrophobicContact CD1-CD1 4.32Å |
| 844 | Q | 85.1 | Confident | 85.1 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | trans | -141.6 | 114.4 | -177.1 | -179.1 | 61.7 | 60.2 | 0 | 0 | 110.2 | L837 G842 I865 N866 | L837-Q844 WeakPolarHBondContact CB-O 3.29Å; L837-Q844 CarbonylContact O-C 3.53Å; L837-Q844 PolarHBondContact O-N 3.48Å; G842-Q844 PolarHBondContact O-N 3.34Å; Q844-I865 WeakPolarHBondContact CG-O 3.22Å; Q844-N866 PolarHBondContact O-ND2 2.99Å | ||
| 845 | K | 89.9 | Confident | 84.1 | Confident | 77 Ų | 77 | 50.8 Ų | 50.8 | 34% | 0.335 | 30% | 0.3 | S | S | . | . | trans | -68.1 | 156.5 | 177.5 | -65.9 | -165.5 | -151.2 | 134.8 | 0 | 112 | N787 E789 T847 | N787-K845 WeakPolarHBondContact O-CD 3.43Å; E789-K845 HydrophobicContact CG-CB 4.23Å; E789-K845 HydrophobicContact CG-CD 4.15Å; E789-K845 WeakPolarHBondContact OE1-CD 3.39Å; E789-K845 WeakPolarHBondContact OE1-CE 3.2Å; E789-K845 IonicContact OE1-NZ 2.77Å; E789-K845 PolarHBondContact OE1-NZ 2.96Å; K845-T847 PolarHBondContact O-N 3.48Å; K845-T847 PolarHBondContact O-OG1 3.2Å | ||
| 846 | F | 93 | Very high | 83.5 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 129.7 | 171.4 | 175 | -102.2 | 0 | 0 | 0 | 110.4 | W784 T788 E789 F804 W805 V823 L837 I848 N866 L868 | W784-F846 AromaticContact CD1-CD1 3.98Å; W784-F846 HydrophobicContact CZ2-CD2 4.12Å; W784-F846 AromaticContact CZ2-CE2 3.91Å; W784-F846 HydrophobicContact CZ2-CE2 3.91Å; W784-F846 HydrophobicContact CZ2-CZ 4.28Å; W784-F846 AromaticContact NE1-CD1 3.37Å; W784-F846 AromaticContact NE1-CD2 3.61Å; W784-F846 AromaticContact NE1-CE1 3.86Å; W784-F846 AromaticContact NE1-CG 3.24Å; T788-F846 CarbonylContact C-O 3.48Å; T788-F846 WeakPolarHBondContact CA-O 3.49Å; T788-F846 HydrophobicContact CG2-CD1 3.55Å; T788-F846 HydrophobicContact CG2-CE1 3.88Å; T788-F846 WeakPolarHBondContact OG1-CD1 3.41Å; E789-F846 PolarHBondContact N-O 3.47Å; F804-F846 HydrophobicContact CZ-CZ 4.37Å; W805-F846 HydrophobicContact CH2-CE1 4.23Å; W805-F846 HydrophobicContact CZ2-CE1 4.1Å; V823-F846 HydrophobicContact CB-CD2 4.29Å; V823-F846 HydrophobicContact CB-CE2 3.78Å; V823-F846 HydrophobicContact CG1-CD2 3.66Å; V823-F846 HydrophobicContact CG1-CE2 3.36Å; V823-F846 HydrophobicContact CG2-CE2 3.94Å; L837-F846 HydrophobicContact CD2-CB 4.1Å; F846-I848 HydrophobicContact CD1-CG1 4.37Å; F846-I848 HydrophobicContact CE1-CD1 3.83Å; F846-I848 HydrophobicContact CE1-CG1 3.56Å; F846-I848 HydrophobicContact CZ-CD1 4.33Å; F846-I848 HydrophobicContact CZ-CG1 4Å; F846-N866 WeakPolarHBondContact CA-O 3.34Å; F846-L868 HydrophobicContact CE2-CB 4.29Å; F846-L868 HydrophobicContact CZ-CB 4.15Å; F846-L868 HydrophobicContact CZ-CD2 4.28Å |
| 847 | T | 93.2 | Very high | 83.2 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.6 | -173.2 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | E789 T791 K845 N866 M867 L868 | E789-T847 CarbonylContact O-C 3.19Å; E789-T847 VanDerWaalsContact O-CA 3.24Å; E789-T847 WeakPolarHBondContact O-CA 3.33Å; T791-T847 HydrophobicContact CG2-CG2 3.68Å; T791-T847 WeakPolarHBondContact OG1-CG2 3.42Å; K845-T847 PolarHBondContact O-N 3.48Å; K845-T847 PolarHBondContact O-OG1 3.2Å; T847-N866 PolarHBondContact N-O 3.28Å; T847-M867 HydrophobicContact CG2-CG 4.34Å; T847-M867 CarbonylContact O-C 3.53Å; T847-M867 VanDerWaalsContact O-CA 3.32Å; T847-M867 WeakPolarHBondContact O-CA 3.43Å; T847-L868 PolarHBondContact O-N 2.89Å |
| 848 | I | 95.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.9 | 171.1 | -52.5 | -174 | 0 | 0 | 0 | 109.8 | T788 E789 Y790 T791 Y794 I801 F804 F846 L868 L870 | T788-I848 HydrophobicContact CG2-CD1 4.22Å; T788-I848 HydrophobicContact CG2-CG1 3.99Å; E789-I848 PolarHBondContact O-N 3.41Å; Y790-I848 WeakPolarHBondContact CA-O 3.41Å; Y790-I848 HydrophobicContact CD1-CB 4.05Å; Y790-I848 HydrophobicContact CE1-CB 4.35Å; Y790-I848 HydrophobicContact CE1-CD1 3.98Å; Y790-I848 HydrophobicContact CE1-CG1 4.38Å; T791-I848 PolarHBondContact N-O 2.97Å; T791-I848 PolarHBondContact OG1-O 3.24Å; Y794-I848 HydrophobicContact CD2-CG2 4.03Å; Y794-I848 HydrophobicContact CE2-CG2 4.3Å; I801-I848 HydrophobicContact CD1-CB 4.47Å; I801-I848 HydrophobicContact CD1-CD1 4.32Å; I801-I848 HydrophobicContact CD1-CG2 3.9Å; F804-I848 HydrophobicContact CD1-CD1 3.74Å; F804-I848 HydrophobicContact CE1-CD1 3.63Å; F804-I848 HydrophobicContact CG-CD1 4.47Å; F804-I848 HydrophobicContact CZ-CD1 4.28Å; F846-I848 HydrophobicContact CD1-CG1 4.37Å; F846-I848 HydrophobicContact CE1-CD1 3.83Å; F846-I848 HydrophobicContact CE1-CG1 3.56Å; F846-I848 HydrophobicContact CZ-CD1 4.33Å; F846-I848 HydrophobicContact CZ-CG1 4Å; I848-L868 CarbonylContact C-O 3.59Å; I848-L868 WeakPolarHBondContact CA-O 3.33Å; I848-L870 HydrophobicContact CG2-CB 3.86Å; I848-L870 HydrophobicContact CG2-CD2 4.17Å |
| 849 | A | 93.2 | Very high | 83.7 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.033 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 134.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T791 M867 L868 L870 | T791-A849 WeakPolarHBondContact O-CA 3.45Å; A849-M867 HydrophobicContact CB-CG 4.32Å; A849-M867 HydrophobicContact CB-SD 4.05Å; A849-L868 PolarHBondContact N-O 2.85Å; A849-L870 PolarHBondContact O-N 3.31Å |
| 850 | A | 90.3 | Very high | 84 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 13% | 0.132 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 141.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T791 S792 Y794 | T791-A850 PolarHBondContact O-N 3.43Å; S792-A850 WeakPolarHBondContact O-CB 3.32Å; Y794-A850 HydrophobicContact CD1-CB 4.14Å; Y794-A850 HydrophobicContact CD2-CB 3.54Å; Y794-A850 HydrophobicContact CE1-CB 4.06Å; Y794-A850 HydrophobicContact CE2-CB 3.48Å; Y794-A850 VanDerWaalsContact CE2-CB 3.48Å; Y794-A850 HydrophobicContact CG-CB 3.86Å |
| 851 | V | 89.1 | Confident | 84.9 | Confident | 36 Ų | 36 | 53 Ų | 53 | 22% | 0.218 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.9 | 173.4 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | Y853 L857 K869 L870 P871 E872 | V851-Y853 PolarHBondContact O-N 3.46Å; V851-L857 HydrophobicContact CG1-CD2 3.78Å; V851-K869 HydrophobicContact CG2-CB 3.77Å; V851-L870 PolarHBondContact N-O 3.16Å; V851-P871 VanDerWaalsContact O-CA 3.27Å; V851-P871 WeakPolarHBondContact O-CA 3.36Å; V851-E872 PolarHBondContact O-N 2.75Å |
| 852 | P | 85.4 | Confident | 85.5 | Confident | 104 Ų | 104 | 49.6 Ų | 49.6 | 68% | 0.675 | 29% | 0.286 | S | S | * | . | trans | -56.4 | 131.1 | 175.2 | -26 | 34.7 | 0 | 0 | 0 | 112.3 | ||||
| 853 | Y | 83.8 | Confident | 85.6 | Confident | 87 Ų | 87 | 49.7 Ų | 49.7 | 34% | 0.341 | 28% | 0.282 | S | S | . | . | trans | -71.5 | 135.3 | -178 | 172.8 | -104.2 | 0 | 0 | 0 | 113 | V851 P871 E872 Y873 | V851-Y853 PolarHBondContact O-N 3.46Å; Y853-P871 HydrophobicContact CD2-CB 4.46Å; Y853-E872 WeakPolarHBondContact CB-O 3.36Å; Y853-Y873 AromaticContact CD2-CD1 3.72Å; Y853-Y873 HydrophobicContact CD2-CD1 3.72Å; Y853-Y873 HydrophobicContact CD2-CE1 4.01Å; Y853-Y873 AromaticContact CE2-CD1 3.64Å; Y853-Y873 HydrophobicContact CE2-CD1 3.64Å; Y853-Y873 AromaticContact CE2-CE1 3.91Å; Y853-Y873 HydrophobicContact CE2-CE1 3.91Å | ||
| 854 | T | 80.7 | Confident | 85.2 | Confident | 83 Ų | 83 | 45.3 Ų | 45.3 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | trans | -134.5 | 150.4 | 165.8 | 36.3 | 0 | 0 | 0 | 0 | 109.2 | N856 L857 | T854-N856 PolarHBondContact O-N 3.49Å; T854-L857 PolarHBondContact O-N 3.32Å; T854-L857 VanDerWaalsContact O-N 3.09Å; T854-L857 WeakPolarHBondContact OG1-CB 3.34Å | ||
| 855 | S | 70.4 | Confident | 85 | Confident | 78 Ų | 78 | 46.4 Ų | 46.4 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -18.6 | -163.7 | 46.3 | 0 | 0 | 0 | 0 | 116.2 | R882 | S855-R882 PolarHBondContact O-NH2 3.15Š|
| 856 | N | 74.9 | Confident | 84.8 | Confident | 127 Ų | 127 | 42.8 Ų | 42.8 | 68% | 0.679 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | 9.8 | -176.9 | -65.3 | -26.9 | 0 | 0 | 0 | 114.3 | T854 L858 | T854-N856 PolarHBondContact O-N 3.49Å; N856-L858 PolarHBondContact O-N 2.77Å |
| 857 | L | 81.4 | Confident | 84.6 | Confident | 60 Ų | 60 | 44.3 Ų | 44.3 | 31% | 0.314 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 122.1 | -176.5 | -165.6 | 65.3 | 0 | 0 | 0 | 111 | V851 T854 P871 Y873 | V851-L857 HydrophobicContact CG1-CD2 3.78Å; T854-L857 PolarHBondContact O-N 3.32Å; T854-L857 VanDerWaalsContact O-N 3.09Å; T854-L857 WeakPolarHBondContact OG1-CB 3.34Å; L857-P871 HydrophobicContact CB-CG 4.42Å; L857-P871 HydrophobicContact CD2-CB 4.5Å; L857-P871 HydrophobicContact CD2-CG 3.95Å; L857-P871 HydrophobicContact CG-CG 4.07Å; L857-Y873 PolarHBondContact O-OH 2.96Å |
| 858 | L | 86.1 | Confident | 84.6 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 153.2 | 170.9 | -64.4 | 178.4 | 0 | 0 | 0 | 110.2 | N856 R882 V885 A886 | N856-L858 PolarHBondContact O-N 2.77Å; L858-R882 HydrophobicContact CD2-CB 4.25Å; L858-V885 HydrophobicContact CD1-CG1 4.2Å; L858-V885 HydrophobicContact CD2-CB 4.2Å; L858-V885 HydrophobicContact CD2-CG1 3.84Å; L858-A886 HydrophobicContact CB-CB 4.22Å |
| 859 | P | 88.3 | Confident | 84.4 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.019 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 146.4 | 167.7 | 29.2 | -35.2 | 0 | 0 | 0 | 110.1 | L868 K869 L870 Y873 L883 A886 | P859-L868 HydrophobicContact CB-CD1 4.17Å; P859-K869 WeakPolarHBondContact CA-O 3.48Å; P859-L870 HydrophobicContact CB-CD1 4.25Å; P859-Y873 VanDerWaalsContact CD-OH 3.23Å; P859-Y873 WeakPolarHBondContact CD-OH 3.48Å; P859-L883 HydrophobicContact CG-CD1 4.02Å; P859-A886 HydrophobicContact CG-CB 3.52Å |
| 860 | T | 85.4 | Confident | 84.3 | Confident | 70 Ų | 70 | 47.1 Ų | 47.1 | 43% | 0.429 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 158.1 | 179.2 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | K869 | T860-K869 PolarHBondContact N-O 2.87Å; T860-K869 VanDerWaalsContact N-O 3.14Å; T860-K869 WeakPolarHBondContact O-CB 3.38Å; T860-K869 PolarHBondContact O-N 3.22Å; T860-K869 WeakPolarHBondContact OG1-CB 3.31Å |
| 861 | S | 85.1 | Confident | 84.4 | Confident | 36 Ų | 36 | 46.4 Ų | 46.4 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 165.1 | -178.9 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | F822 M867 | F822-S861 WeakPolarHBondContact O-CB 3.42Å; F822-S861 PolarHBondContact O-OG 3.33Å; S861-M867 CarbonylContact C-O 3.59Å; S861-M867 VanDerWaalsContact CA-O 3.27Å; S861-M867 WeakPolarHBondContact CA-O 3.46Å |
| 862 | S | 83.1 | Confident | 84.5 | Confident | 35 Ų | 35 | 49.6 Ų | 49.6 | 25% | 0.245 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 94.3 | 169.3 | -61.2 | 0 | 0 | 0 | 0 | 107.7 | C864 I865 N866 M867 | S862-C864 PolarHBondContact O-N 2.72Å; S862-I865 WeakPolarHBondContact O-CG1 3.21Å; S862-I865 PolarHBondContact O-N 2.94Å; S862-N866 PolarHBondContact O-N 3.41Å; S862-M867 PolarHBondContact N-O 2.82Å; S862-M867 PolarHBondContact O-N 3.42Å; S862-M867 VanDerWaalsContact O-N 3.16Å |
| 863 | T | 80.3 | Confident | 84.8 | Confident | 24 Ų | 24 | 44.8 Ų | 44.8 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -62.7 | -37.7 | -168.1 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | V823 I865 N866 | V823-T863 VanDerWaalsContact O-CA 3.31Å; V823-T863 WeakPolarHBondContact O-CA 3.43Å; T863-I865 PolarHBondContact O-N 3.47Å; T863-N866 PolarHBondContact O-N 3.23Å; T863-N866 VanDerWaalsContact O-N 3.07Å; T863-N866 PolarHBondContact O-OD1 3.32Å |
| 864 | C | 74.4 | Confident | 85 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 14% | 0.142 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -61.1 | -19.9 | 179.7 | -44.4 | 0 | 0 | 0 | 0 | 114.1 | P673 G840 S862 | P673-C864 HydrophobicContact CG-CB 4.35Å; P673-C864 WeakPolarHBondContact CG-SG 3.21Å; G840-C864 PolarHBondContact N-O 3.19Å; S862-C864 PolarHBondContact O-N 2.72Å |
| 865 | I | 81.1 | Confident | 85.6 | Confident | 73 Ų | 73 | 43.4 Ų | 43.4 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -124.1 | 15.6 | 178.8 | 56.9 | 168.3 | 0 | 0 | 0 | 112.3 | Q844 S862 T863 M867 | Q844-I865 WeakPolarHBondContact CG-O 3.22Å; S862-I865 WeakPolarHBondContact O-CG1 3.21Å; S862-I865 PolarHBondContact O-N 2.94Å; T863-I865 PolarHBondContact O-N 3.47Å; I865-M867 HydrophobicContact CD1-CB 3.97Å; I865-M867 HydrophobicContact CD1-CE 3.67Å; I865-M867 HydrophobicContact CD1-SD 3.99Å; I865-M867 HydrophobicContact CG1-CB 3.84Å; I865-M867 PolarHBondContact O-N 3.02Å; I865-M867 VanDerWaalsContact O-N 3.15Å |
| 866 | N | 87 | Confident | 86.6 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 39.9 | 178.7 | -59.8 | -36.7 | 0 | 0 | 0 | 113.4 | T824 L837 M838 Q844 F846 T847 S862 T863 | T824-N866 HydrophobicContact CG2-CB 4.5Å; L837-N866 HydrophobicContact CD2-CB 3.83Å; L837-N866 WeakPolarHBondContact CD2-ND2 3.37Å; M838-N866 PolarHBondContact O-ND2 2.83Å; Q844-N866 PolarHBondContact O-ND2 2.99Å; F846-N866 WeakPolarHBondContact CA-O 3.34Å; T847-N866 PolarHBondContact N-O 3.28Å; S862-N866 PolarHBondContact O-N 3.41Å; T863-N866 PolarHBondContact O-N 3.23Å; T863-N866 VanDerWaalsContact O-N 3.07Å; T863-N866 PolarHBondContact O-OD1 3.32Å |
| 867 | M | 88.4 | Confident | 87.3 | Confident | 33 Ų | 33 | 43.4 Ų | 43.4 | 16% | 0.163 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.6 | -171 | -173.4 | 176.8 | 68.7 | 0 | 0 | 112.5 | T847 A849 S861 S862 I865 K869 | T847-M867 HydrophobicContact CG2-CG 4.34Å; T847-M867 CarbonylContact O-C 3.53Å; T847-M867 VanDerWaalsContact O-CA 3.32Å; T847-M867 WeakPolarHBondContact O-CA 3.43Å; A849-M867 HydrophobicContact CB-CG 4.32Å; A849-M867 HydrophobicContact CB-SD 4.05Å; S861-M867 CarbonylContact C-O 3.59Å; S861-M867 VanDerWaalsContact CA-O 3.27Å; S861-M867 WeakPolarHBondContact CA-O 3.46Å; S862-M867 PolarHBondContact N-O 2.82Å; S862-M867 PolarHBondContact O-N 3.42Å; S862-M867 VanDerWaalsContact O-N 3.16Å; I865-M867 HydrophobicContact CD1-CB 3.97Å; I865-M867 HydrophobicContact CD1-CE 3.67Å; I865-M867 HydrophobicContact CD1-SD 3.99Å; I865-M867 HydrophobicContact CG1-CB 3.84Å; I865-M867 PolarHBondContact O-N 3.02Å; I865-M867 VanDerWaalsContact O-N 3.15Å; M867-K869 HydrophobicContact CE-CD 4.4Å; M867-K869 VanDerWaalsContact CE-CE 3.45Å; M867-K869 HydrophobicContact CE-CG 4.07Å |
| 868 | L | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 119.8 | 169.8 | -179.7 | 66.6 | 0 | 0 | 0 | 109.9 | F804 F822 V823 F846 T847 I848 A849 P859 L870 | F804-L868 HydrophobicContact CD2-CD2 4.38Å; F804-L868 HydrophobicContact CE2-CD2 3.53Å; F804-L868 HydrophobicContact CZ-CD2 3.68Å; F822-L868 HydrophobicContact CD1-CD1 4.32Å; F822-L868 HydrophobicContact CE1-CD1 3.92Å; V823-L868 HydrophobicContact CG1-CB 4.17Å; V823-L868 HydrophobicContact CG2-CB 4.07Å; V823-L868 HydrophobicContact CG2-CD1 3.93Å; V823-L868 HydrophobicContact CG2-CG 4.45Å; F846-L868 HydrophobicContact CE2-CB 4.29Å; F846-L868 HydrophobicContact CZ-CB 4.15Å; F846-L868 HydrophobicContact CZ-CD2 4.28Å; T847-L868 PolarHBondContact O-N 2.89Å; I848-L868 CarbonylContact C-O 3.59Å; I848-L868 WeakPolarHBondContact CA-O 3.33Å; A849-L868 PolarHBondContact N-O 2.85Å; P859-L868 HydrophobicContact CB-CD1 4.17Å; L868-L870 HydrophobicContact CG-CB 4.49Å |
| 869 | K | 90.8 | Very high | 88 | Confident | 74 Ų | 74 | 41 Ų | 41 | 32% | 0.322 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 105.6 | 171.8 | -64.6 | 177.8 | -173.7 | 171.5 | 0 | 108.4 | V851 P859 T860 M867 | V851-K869 HydrophobicContact CG2-CB 3.77Å; P859-K869 WeakPolarHBondContact CA-O 3.48Å; T860-K869 PolarHBondContact N-O 2.87Å; T860-K869 VanDerWaalsContact N-O 3.14Å; T860-K869 WeakPolarHBondContact O-CB 3.38Å; T860-K869 PolarHBondContact O-N 3.22Å; T860-K869 WeakPolarHBondContact OG1-CB 3.31Å; M867-K869 HydrophobicContact CE-CD 4.4Å; M867-K869 VanDerWaalsContact CE-CE 3.45Å; M867-K869 HydrophobicContact CE-CG 4.07Å |
| 870 | L | 92.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 115.4 | -171.5 | -175.3 | 67.7 | 0 | 0 | 0 | 110.8 | Y794 V800 I801 F804 I848 A849 V851 P859 L868 Y873 | Y794-L870 HydrophobicContact CE2-CB 4.12Å; Y794-L870 VanDerWaalsContact CE2-O 3.32Å; Y794-L870 WeakPolarHBondContact CE2-O 3.19Å; Y794-L870 PolarHBondContact OH-O 3.13Å; V800-L870 HydrophobicContact CG1-CD2 3.97Å; V800-L870 HydrophobicContact CG1-CG 4.42Å; I801-L870 HydrophobicContact CD1-CD2 4.45Å; F804-L870 HydrophobicContact CB-CD2 4.13Å; F804-L870 HydrophobicContact CD2-CD2 4.12Å; F804-L870 HydrophobicContact CG-CD2 4.25Å; I848-L870 HydrophobicContact CG2-CB 3.86Å; I848-L870 HydrophobicContact CG2-CD2 4.17Å; A849-L870 PolarHBondContact O-N 3.31Å; V851-L870 PolarHBondContact N-O 3.16Å; P859-L870 HydrophobicContact CB-CD1 4.25Å; L868-L870 HydrophobicContact CG-CB 4.49Å; L870-Y873 HydrophobicContact CD1-CD2 4.33Å; L870-Y873 HydrophobicContact CD1-CE2 3.99Å |
| 871 | P | 92.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 148.3 | 174.9 | -25.7 | 36 | 0 | 0 | 0 | 113.2 | Y794 V851 Y853 L857 Y873 | Y794-P871 VanDerWaalsContact OH-C 3.29Å; Y794-P871 PolarHBondContact OH-O 3.15Å; V851-P871 VanDerWaalsContact O-CA 3.27Å; V851-P871 WeakPolarHBondContact O-CA 3.36Å; Y853-P871 HydrophobicContact CD2-CB 4.46Å; L857-P871 HydrophobicContact CB-CG 4.42Å; L857-P871 HydrophobicContact CD2-CB 4.5Å; L857-P871 HydrophobicContact CD2-CG 3.95Å; L857-P871 HydrophobicContact CG-CG 4.07Å; P871-Y873 HydrophobicContact CB-CD1 4.44Å; P871-Y873 HydrophobicContact CB-CD2 4.45Å; P871-Y873 HydrophobicContact CB-CE1 3.97Å; P871-Y873 HydrophobicContact CB-CE2 4.03Å; P871-Y873 HydrophobicContact CG-CE1 4.37Å; P871-Y873 HydrophobicContact CG-CE2 4.17Å; P871-Y873 WeakPolarHBondContact CG-OH 3.43Å; P871-Y873 VanDerWaalsContact O-CD2 3.26Å; P871-Y873 WeakPolarHBondContact O-CD2 3.48Å; P871-Y873 PolarHBondContact O-N 3.08Å |
| 872 | E | 90.4 | Very high | 88.4 | Confident | 102 Ų | 102 | 47.5 Ų | 47.5 | 48% | 0.477 | 24% | 0.238 | S | C | . | . | trans | -71.3 | 70.4 | 176.3 | -68.5 | 176.5 | 177.5 | 0 | 0 | 111.6 | Y794 V851 Y853 | Y794-E872 HydrophobicContact CE1-CG 4.04Å; Y794-E872 WeakPolarHBondContact OH-CA 3.27Å; Y794-E872 WeakPolarHBondContact OH-CG 3.39Å; Y794-E872 PolarHBondContact OH-N 2.6Å; V851-E872 PolarHBondContact O-N 2.75Å; Y853-E872 WeakPolarHBondContact CB-O 3.36Å | ||
| 873 | Y | 91.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | trans | -62.2 | 144.4 | -174.8 | -70.4 | -61.5 | 0 | 0 | 0 | 112.4 | W803 Y853 L857 P859 L870 P871 N875 V878 L879 R882 | W803-Y873 WeakPolarHBondContact CZ3-O 3.45Å; Y853-Y873 AromaticContact CD2-CD1 3.72Å; Y853-Y873 HydrophobicContact CD2-CD1 3.72Å; Y853-Y873 HydrophobicContact CD2-CE1 4.01Å; Y853-Y873 AromaticContact CE2-CD1 3.64Å; Y853-Y873 HydrophobicContact CE2-CD1 3.64Å; Y853-Y873 AromaticContact CE2-CE1 3.91Å; Y853-Y873 HydrophobicContact CE2-CE1 3.91Å; L857-Y873 PolarHBondContact O-OH 2.96Å; P859-Y873 VanDerWaalsContact CD-OH 3.23Å; P859-Y873 WeakPolarHBondContact CD-OH 3.48Å; L870-Y873 HydrophobicContact CD1-CD2 4.33Å; L870-Y873 HydrophobicContact CD1-CE2 3.99Å; P871-Y873 HydrophobicContact CB-CD1 4.44Å; P871-Y873 HydrophobicContact CB-CD2 4.45Å; P871-Y873 HydrophobicContact CB-CE1 3.97Å; P871-Y873 HydrophobicContact CB-CE2 4.03Å; P871-Y873 HydrophobicContact CG-CE1 4.37Å; P871-Y873 HydrophobicContact CG-CE2 4.17Å; P871-Y873 WeakPolarHBondContact CG-OH 3.43Å; P871-Y873 VanDerWaalsContact O-CD2 3.26Å; P871-Y873 WeakPolarHBondContact O-CD2 3.48Å; P871-Y873 PolarHBondContact O-N 3.08Å; Y873-N875 VanDerWaalsContact C-N 3.33Å; Y873-N875 PolarHBondContact O-N 2.85Å; Y873-V878 HydrophobicContact CD1-CG1 3.84Å; Y873-V878 HydrophobicContact CE1-CG1 4.45Å; Y873-V878 HydrophobicContact CG-CG1 4.5Å; Y873-L879 HydrophobicContact CD2-CB 3.88Å; Y873-L879 HydrophobicContact CD2-CD1 4.19Å; Y873-L879 HydrophobicContact CD2-CG 3.83Å; Y873-L879 HydrophobicContact CG-CB 4.19Å; Y873-R882 HydrophobicContact CE1-CB 3.98Å; Y873-R882 HydrophobicContact CE1-CG 3.83Å; Y873-R882 HydrophobicContact CE2-CB 4.39Å | ||
| 874 | P | 89.4 | Confident | 89 | Confident | 76 Ų | 76 | 46.1 Ų | 46.1 | 49% | 0.494 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -73.4 | -22.2 | -173.8 | 28.5 | -35.7 | 0 | 0 | 0 | 113.9 | ||
| 875 | N | 92.1 | Very high | 89.5 | Confident | 64 Ų | 64 | 47.4 Ų | 47.4 | 34% | 0.342 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -157.2 | 167.5 | 178.7 | 65.1 | 58.3 | 0 | 0 | 0 | 112.5 | Y873 E877 V878 L879 | Y873-N875 VanDerWaalsContact C-N 3.33Å; Y873-N875 PolarHBondContact O-N 2.85Å; N875-E877 PolarHBondContact O-N 3.29Å; N875-E877 PolarHBondContact OD1-N 3.04Å; N875-E877 VanDerWaalsContact OD1-N 3.11Å; N875-V878 WeakPolarHBondContact OD1-CG2 3.47Å; N875-V878 PolarHBondContact OD1-N 2.99Å; N875-L879 PolarHBondContact O-N 3.35Å; N875-L879 VanDerWaalsContact O-N 3.14Å |
| 876 | Q | 92.1 | Very high | 89.6 | Confident | 43 Ų | 43 | 44.1 Ų | 44.1 | 20% | 0.201 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -35 | -177.5 | -173.5 | -176.1 | -21.4 | 0 | 0 | 113.5 | W803 V807 R880 | W803-Q876 HydrophobicContact CB-CB 4.21Å; W803-Q876 HydrophobicContact CB-CG 4.08Å; W803-Q876 HydrophobicContact CD2-CB 4.14Å; W803-Q876 HydrophobicContact CG-CB 3.85Å; W803-Q876 HydrophobicContact CG-CG 4.17Å; V807-Q876 HydrophobicContact CG2-CG 4.01Å; Q876-R880 WeakPolarHBondContact O-CB 3.38Å; Q876-R880 PolarHBondContact O-N 3.29Å |
| 877 | E | 90.4 | Very high | 89.4 | Confident | 163 Ų | 163 | 44.4 Ų | 44.4 | 76% | 0.762 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -70.7 | -44.5 | -177.1 | -68.4 | 177.8 | -179.8 | 0 | 0 | 111.3 | N875 L879 R880 D881 | N875-E877 PolarHBondContact O-N 3.29Å; N875-E877 PolarHBondContact OD1-N 3.04Å; N875-E877 VanDerWaalsContact OD1-N 3.11Å; E877-L879 VanDerWaalsContact C-N 3.35Å; E877-R880 PolarHBondContact O-N 3.31Å; E877-D881 WeakPolarHBondContact O-CB 3.29Å; E877-D881 PolarHBondContact O-N 2.93Å |
| 878 | V | 89.3 | Confident | 88.6 | Confident | 37 Ų | 37 | 47 Ų | 47 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 174.5 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | Y873 N875 R880 D881 R882 | Y873-V878 HydrophobicContact CD1-CG1 3.84Å; Y873-V878 HydrophobicContact CE1-CG1 4.45Å; Y873-V878 HydrophobicContact CG-CG1 4.5Å; N875-V878 WeakPolarHBondContact OD1-CG2 3.47Å; N875-V878 PolarHBondContact OD1-N 2.99Å; V878-R880 VanDerWaalsContact C-N 3.34Å; V878-R880 PolarHBondContact O-N 2.76Å; V878-D881 PolarHBondContact O-N 3.48Å; V878-R882 HydrophobicContact CG1-CG 4.04Å; V878-R882 WeakPolarHBondContact O-CB 3.42Å; V878-R882 VanDerWaalsContact O-CG 3.25Å; V878-R882 WeakPolarHBondContact O-CG 3.29Å; V878-R882 PolarHBondContact O-N 2.92Å |
| 879 | L | 92.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.1 | -48.2 | 174.7 | -175.3 | 156.3 | 0 | 0 | 0 | 111 | V800 W803 F804 V807 Y873 N875 E877 L883 | V800-L879 HydrophobicContact CG1-CD1 3.89Å; W803-L879 HydrophobicContact CB-CD1 4.15Å; F804-L879 HydrophobicContact CB-CD1 4.33Å; V807-L879 HydrophobicContact CB-CD2 4.3Å; V807-L879 HydrophobicContact CG2-CD2 4.07Å; Y873-L879 HydrophobicContact CD2-CB 3.88Å; Y873-L879 HydrophobicContact CD2-CD1 4.19Å; Y873-L879 HydrophobicContact CD2-CG 3.83Å; Y873-L879 HydrophobicContact CG-CB 4.19Å; N875-L879 PolarHBondContact O-N 3.35Å; N875-L879 VanDerWaalsContact O-N 3.14Å; E877-L879 VanDerWaalsContact C-N 3.35Å; L879-L883 HydrophobicContact CD2-CD2 4.44Å; L879-L883 WeakPolarHBondContact O-CB 3.37Å; L879-L883 PolarHBondContact O-N 3.04Å |
| 880 | R | 91.9 | Very high | 85.5 | Confident | 96 Ų | 96 | 47.7 Ų | 47.7 | 36% | 0.362 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.8 | -50.5 | 179.3 | 179.5 | -176.2 | 175.7 | 128.7 | 7.6 | 111.3 | V807 Q876 E877 V878 L883 L884 | V807-R880 HydrophobicContact CG1-CB 4.18Å; V807-R880 HydrophobicContact CG1-CG 4.07Å; V807-R880 HydrophobicContact CG2-CB 3.97Å; Q876-R880 WeakPolarHBondContact O-CB 3.38Å; Q876-R880 PolarHBondContact O-N 3.29Å; E877-R880 PolarHBondContact O-N 3.31Å; V878-R880 VanDerWaalsContact C-N 3.34Å; V878-R880 PolarHBondContact O-N 2.76Å; R880-L883 PolarHBondContact O-N 2.9Å; R880-L884 HydrophobicContact CG-CD1 3.99Å; R880-L884 WeakPolarHBondContact O-CG 3.41Å; R880-L884 PolarHBondContact O-N 3.48Å |
| 881 | D | 88.3 | Confident | 83.3 | Confident | 87 Ų | 87 | 48.1 Ų | 48.1 | 47% | 0.465 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.3 | -53.2 | -179 | -180 | 68.4 | 0 | 0 | 0 | 111.2 | E877 V878 L883 L884 V885 | E877-D881 WeakPolarHBondContact O-CB 3.29Å; E877-D881 PolarHBondContact O-N 2.93Å; V878-D881 PolarHBondContact O-N 3.48Å; D881-L883 VanDerWaalsContact C-N 3.32Å; D881-L883 PolarHBondContact O-N 3.13Å; D881-L884 PolarHBondContact O-N 2.99Å; D881-V885 WeakPolarHBondContact O-CB 3.44Å; D881-V885 VanDerWaalsContact O-CG2 3.27Å; D881-V885 WeakPolarHBondContact O-CG2 3.45Å; D881-V885 PolarHBondContact O-N 3.46Å |
| 882 | R | 88.1 | Confident | 81 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65 | -34.4 | -179.7 | -62.2 | -52.2 | -166.1 | -179.3 | 7.3 | 113 | S855 L858 Y873 V878 A886 | S855-R882 PolarHBondContact O-NH2 3.15Å; L858-R882 HydrophobicContact CD2-CB 4.25Å; Y873-R882 HydrophobicContact CE1-CB 3.98Å; Y873-R882 HydrophobicContact CE1-CG 3.83Å; Y873-R882 HydrophobicContact CE2-CB 4.39Å; V878-R882 HydrophobicContact CG1-CG 4.04Å; V878-R882 WeakPolarHBondContact O-CB 3.42Å; V878-R882 VanDerWaalsContact O-CG 3.25Å; V878-R882 WeakPolarHBondContact O-CG 3.29Å; V878-R882 PolarHBondContact O-N 2.92Å; R882-A886 WeakPolarHBondContact O-CB 3.28Å; R882-A886 PolarHBondContact O-N 3.29Å |
| 883 | L | 89.6 | Confident | 78.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -50.4 | 174.7 | -176.8 | 64.4 | 0 | 0 | 0 | 110.9 | F804 V807 L819 P859 L879 R880 D881 V885 A886 L887 | F804-L883 HydrophobicContact CD2-CD2 4.28Å; F804-L883 HydrophobicContact CE2-CD1 4.48Å; F804-L883 HydrophobicContact CE2-CD2 4.1Å; V807-L883 HydrophobicContact CG1-CD2 4.18Å; L819-L883 HydrophobicContact CD1-CD1 4.14Å; P859-L883 HydrophobicContact CG-CD1 4.02Å; L879-L883 HydrophobicContact CD2-CD2 4.44Å; L879-L883 WeakPolarHBondContact O-CB 3.37Å; L879-L883 PolarHBondContact O-N 3.04Å; R880-L883 PolarHBondContact O-N 2.9Å; D881-L883 VanDerWaalsContact C-N 3.32Å; D881-L883 PolarHBondContact O-N 3.13Å; L883-V885 VanDerWaalsContact C-N 3.33Å; L883-V885 PolarHBondContact O-N 3.49Å; L883-A886 PolarHBondContact O-N 3.39Å; L883-A886 VanDerWaalsContact O-N 3.12Å; L883-L887 HydrophobicContact CG-CD1 4.39Å; L883-L887 WeakPolarHBondContact O-CG 3.5Å; L883-L887 PolarHBondContact O-N 3.35Å |
| 884 | L | 85.6 | Confident | 75.6 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 178.3 | -71.3 | 174 | 0 | 0 | 0 | 111.6 | L811 E815 R880 D881 A886 L887 H888 | L811-L884 HydrophobicContact CD2-CD2 3.84Å; E815-L884 HydrophobicContact CG-CD2 4.31Å; R880-L884 HydrophobicContact CG-CD1 3.99Å; R880-L884 WeakPolarHBondContact O-CG 3.41Å; R880-L884 PolarHBondContact O-N 3.48Å; D881-L884 PolarHBondContact O-N 2.99Å; L884-A886 VanDerWaalsContact C-N 3.32Å; L884-A886 PolarHBondContact O-N 2.75Å; L884-L887 PolarHBondContact O-N 3.03Å; L884-H888 PolarHBondContact O-CD2 3.25Å; L884-H888 PolarHBondContact O-N 2.7Å |
| 885 | V | 84.3 | Confident | 72.7 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 30% | 0.297 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59 | -43.1 | 173.7 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L858 D881 L883 H888 C889 | L858-V885 HydrophobicContact CD1-CG1 4.2Å; L858-V885 HydrophobicContact CD2-CB 4.2Å; L858-V885 HydrophobicContact CD2-CG1 3.84Å; D881-V885 WeakPolarHBondContact O-CB 3.44Å; D881-V885 VanDerWaalsContact O-CG2 3.27Å; D881-V885 WeakPolarHBondContact O-CG2 3.45Å; D881-V885 PolarHBondContact O-N 3.46Å; L883-V885 VanDerWaalsContact C-N 3.33Å; L883-V885 PolarHBondContact O-N 3.49Å; V885-H888 PolarHBondContact O-N 3.44Å; V885-C889 WeakPolarHBondContact O-CB 3.33Å; V885-C889 PolarHBondContact O-N 3.34Å; V885-C889 PolarHBondContact O-SG 3.12Å |
| 886 | A | 83.7 | Confident | 69.6 | Low | 4 Ų | 4 | 66.5 Ų | 66.5 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F822 L858 P859 R882 L883 L884 G890 | F822-A886 HydrophobicContact CZ-CB 4.47Å; L858-A886 HydrophobicContact CB-CB 4.22Å; P859-A886 HydrophobicContact CG-CB 3.52Å; R882-A886 WeakPolarHBondContact O-CB 3.28Å; R882-A886 PolarHBondContact O-N 3.29Å; L883-A886 PolarHBondContact O-N 3.39Å; L883-A886 VanDerWaalsContact O-N 3.12Å; L884-A886 VanDerWaalsContact C-N 3.32Å; L884-A886 PolarHBondContact O-N 2.75Å; A886-G890 WeakPolarHBondContact O-CA 3.32Å; A886-G890 PolarHBondContact O-N 3.24Å |
| 887 | L | 82.3 | Confident | 66.4 | Low | 7 Ų | 7 | 72.8 Ų | 72.8 | 4% | 0.037 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | 176.4 | -63.6 | 179.6 | 0 | 0 | 0 | 111.6 | L819 F822 L883 L884 | L819-L887 HydrophobicContact CB-CD1 4.05Å; L819-L887 HydrophobicContact CB-CD2 4.14Å; L819-L887 HydrophobicContact CD1-CD2 3.96Å; F822-L887 HydrophobicContact CB-CD2 3.62Å; F822-L887 HydrophobicContact CD1-CD2 3.98Å; F822-L887 HydrophobicContact CD2-CD2 4.44Å; F822-L887 HydrophobicContact CG-CD2 3.77Å; L883-L887 HydrophobicContact CG-CD1 4.39Å; L883-L887 WeakPolarHBondContact O-CG 3.5Å; L883-L887 PolarHBondContact O-N 3.35Å; L884-L887 PolarHBondContact O-N 3.03Å |
| 888 | H | 72 | Confident | 65.2 | Low | 89 Ų | 89 | 68.3 Ų | 68.3 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -80.7 | -28.8 | 178.3 | -66.6 | -58.3 | 0 | 0 | 0 | 113.5 | L884 V885 S891 Y892 | L884-H888 PolarHBondContact O-CD2 3.25Å; L884-H888 PolarHBondContact O-N 2.7Å; V885-H888 PolarHBondContact O-N 3.44Å; H888-S891 PolarHBondContact O-OG 3.14Å; H888-Y892 WeakPolarHBondContact O-CD2 3.39Å |
| 889 | C | 65.9 | Low | 63.9 | Low | 58 Ų | 58 | 69.9 Ų | 69.9 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -83.6 | -25 | 173.7 | -67.9 | 0 | 0 | 0 | 0 | 112.2 | V885 S891 Y892 | V885-C889 WeakPolarHBondContact O-CB 3.33Å; V885-C889 PolarHBondContact O-N 3.34Å; V885-C889 PolarHBondContact O-SG 3.12Å; C889-S891 PolarHBondContact O-N 3.25Å; C889-Y892 CarbonylContact O-C 3.49Å; C889-Y892 PolarHBondContact O-N 3.12Å; C889-Y892 VanDerWaalsContact O-N 3.15Å |
| 890 | G | 53 | Low | 62.3 | Low | 29 Ų | 29 | 73.8 Ų | 73.8 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y767 A886 | Y767-G890 PolarHBondContact OH-O 3.17Å; A886-G890 WeakPolarHBondContact O-CA 3.32Å; A886-G890 PolarHBondContact O-N 3.24Å |
| 891 | S | 45.8 | Very low | 60.6 | Low | 9 Ų | 9 | 72.5 Ų | 72.5 | 6% | 0.063 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -23.6 | 170.8 | 61.3 | 0 | 0 | 0 | 0 | 114.6 | Y767 H888 C889 | Y767-S891 VanDerWaalsContact CE2-CA 3.44Å; H888-S891 PolarHBondContact O-OG 3.14Å; C889-S891 PolarHBondContact O-N 3.25Å |
| 892 | Y | 43.4 | Very low | 58.9 | Low | 106 Ų | 106 | 71.6 Ų | 71.6 | 42% | 0.416 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -110.6 | 83.6 | 170.4 | -58.9 | -72.5 | 0 | 0 | 0 | 108.7 | H888 C889 | H888-Y892 WeakPolarHBondContact O-CD2 3.39Å; C889-Y892 CarbonylContact O-C 3.49Å; C889-Y892 PolarHBondContact O-N 3.12Å; C889-Y892 VanDerWaalsContact O-N 3.15Å |
| 893 | G | 36.7 | Very low | 56.9 | Low | 21 Ų | 21 | 72.2 Ų | 72.2 | 22% | 0.216 | 41% | 0.414 | C | S | . | . | trans | -42.7 | 147.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T895 | G893-T895 PolarHBondContact O-N 3.24Å; G893-T895 PolarHBondContact O-OG1 3.49Å | ||
| 894 | Y | 31 | Very low | 54.6 | Low | 201 Ų | 201 | 77.4 Ų | 77.4 | 79% | 0.788 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -56.5 | 60.4 | -173.9 | -82.4 | -88.3 | 0 | 0 | 0 | 114.9 | ||
| 895 | T | 28.9 | Very low | 52.2 | Low | 122 Ų | 122 | 81.1 Ų | 81.1 | 75% | 0.748 | 47% | 0.466 | S | S | * | . | trans | -137.5 | 10.3 | -176.3 | 45.8 | 0 | 0 | 0 | 0 | 112.9 | G893 | G893-T895 PolarHBondContact O-N 3.24Å; G893-T895 PolarHBondContact O-OG1 3.49Å | ||
| 896 | M | 27.9 | Very low | 49.5 | Very low | 184 Ų | 184 | 83.8 Ų | 83.8 | 91% | 0.906 | 48% | 0.48 | S | S | * | . | trans | -130.6 | 69.7 | 168.8 | -72.1 | -79.9 | -127.1 | 0 | 0 | 109.5 | ||||
| 897 | A | 23.8 | Very low | 46.4 | Very low | 175 Ų | 175 | 91 Ų | 91 | 100% | 1.446 | 52% | 0.52 | S | S | * | . | trans | -121.4 | 0 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 897 of 897 residues in 386.1 ms
(Link to these results)