| 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 | 44.4 | Very low | 45.1 | Very low | 244 Ų | 244 | 127.8 Ų | 127.8 | 100% | 1.202 | 77% | 0.765 | S | S | * | * | 0 | 110.1 | 0 | -74.4 | 166.7 | 171.4 | 0 | 0 | 107.3 | S3 | M1-S3 PolarHBondContact O-N 2.92Š| |||
| 2 | V | 39.3 | Very low | 45 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -67.2 | 111.8 | 179.9 | 53.3 | 0 | 0 | 0 | 0 | 108.8 | S4 | V2-S4 VanDerWaalsContact CG2-OG 3.3Å; V2-S4 WeakPolarHBondContact CG2-OG 3.44Å | ||
| 3 | S | 38 | Very low | 44.9 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | -98.5 | 86.8 | 159.9 | -84 | 0 | 0 | 0 | 0 | 106.6 | M1 V5 | M1-S3 PolarHBondContact O-N 2.92Å; S3-V5 PolarHBondContact O-N 3.05Å | ||
| 4 | S | 43.8 | Very low | 44.5 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -65.7 | 86 | 163 | -64.3 | 0 | 0 | 0 | 0 | 107.3 | V2 L6 | V2-S4 VanDerWaalsContact CG2-OG 3.3Å; V2-S4 WeakPolarHBondContact CG2-OG 3.44Å; S4-L6 PolarHBondContact O-N 3.13Å | ||
| 5 | V | 52.3 | Low | 43.8 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | trans | -62.2 | 125.7 | 167 | 79.8 | 0 | 0 | 0 | 0 | 106.7 | S3 | S3-V5 PolarHBondContact O-N 3.05Š| ||
| 6 | L | 52.1 | Low | 44 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -50.2 | 150.6 | -169.8 | -76.1 | 91.4 | 0 | 0 | 0 | 113 | S4 N8 | S4-L6 PolarHBondContact O-N 3.13Å; L6-N8 PolarHBondContact O-N 3.28Å; L6-N8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | P | 46.9 | Very low | 44 | Very low | 118 Ų | 118 | 121 Ų | 121 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | trans | -59.4 | 115.9 | 157.7 | 27.3 | -31.2 | 0 | 0 | 0 | 108.1 | P9 | P7-P9 WeakPolarHBondContact O-CD 3.49Š| ||
| 8 | N | 46.1 | Very low | 44 | Very low | 134 Ų | 134 | 121.4 Ų | 121.4 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | -62.7 | 115.4 | 164.4 | 176.3 | -100.2 | 0 | 0 | 0 | 107.5 | L6 T10 | L6-N8 PolarHBondContact O-N 3.28Å; L6-N8 VanDerWaalsContact O-N 3.09Å; N8-T10 PolarHBondContact O-N 2.8Å | ||
| 9 | P | 44 | Very low | 44.3 | Very low | 87 Ų | 87 | 122.8 Ų | 122.8 | 57% | 0.565 | 73% | 0.725 | S | S | * | * | trans | -67.5 | 119.4 | 163.5 | 28.6 | -30.3 | 0 | 0 | 0 | 107 | P7 S11 | P7-P9 WeakPolarHBondContact O-CD 3.49Å; P9-S11 PolarHBondContact O-N 2.68Å | ||
| 10 | T | 46.2 | Very low | 44.5 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 63% | 0.632 | 72% | 0.72 | S | S | * | * | trans | -25.9 | 126.5 | 170 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | N8 A12 E13 | N8-T10 PolarHBondContact O-N 2.8Å; T10-A12 HydrophobicContact CG2-CB 4.22Å; T10-A12 PolarHBondContact O-N 3.13Å; T10-E13 PolarHBondContact O-N 3.44Å | ||
| 11 | S | 42.9 | Very low | 44.4 | Very low | 87 Ų | 87 | 122.4 Ų | 122.4 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.4 | 8 | 175.4 | -170.6 | 0 | 0 | 0 | 0 | 117.5 | P9 | P9-S11 PolarHBondContact O-N 2.68Š|
| 12 | A | 44.3 | Very low | 44.8 | Very low | 79 Ų | 79 | 116 Ų | 116 | 65% | 0.653 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -20 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T10 | T10-A12 HydrophobicContact CG2-CB 4.22Å; T10-A12 PolarHBondContact O-N 3.13Å |
| 13 | E | 43.8 | Very low | 45.3 | Very low | 147 Ų | 147 | 117.9 Ų | 117.9 | 69% | 0.687 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -101.8 | -16.8 | -179 | -57.1 | -166.3 | 106 | 0 | 0 | 113.1 | T10 W15 A16 | T10-E13 PolarHBondContact O-N 3.44Å; E13-W15 VanDerWaalsContact C-N 3.32Å; E13-W15 PolarHBondContact O-N 3.22Å; E13-A16 WeakPolarHBondContact O-CB 3.17Å; E13-A16 PolarHBondContact O-N 3.19Å; E13-A16 VanDerWaalsContact O-N 3.11Å |
| 14 | C | 39.5 | Very low | 45.9 | Very low | 68 Ų | 68 | 117.3 Ų | 117.3 | 46% | 0.459 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.5 | -22.6 | -179 | -83.9 | 0 | 0 | 0 | 0 | 115 | L18 | C14-L18 WeakPolarHBondContact O-CD1 3.16Š|
| 15 | W | 33.5 | Very low | 46.6 | Very low | 186 Ų | 186 | 116.5 Ų | 116.5 | 71% | 0.705 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -18.3 | 173.7 | -64.7 | 105.8 | 0 | 0 | 0 | 112.9 | E13 A17 | E13-W15 VanDerWaalsContact C-N 3.32Å; E13-W15 PolarHBondContact O-N 3.22Å; W15-A17 VanDerWaalsContact C-N 3.26Å; W15-A17 PolarHBondContact O-N 2.72Å |
| 16 | A | 46.8 | Very low | 47.8 | Very low | 87 Ų | 87 | 114.6 Ų | 114.6 | 72% | 0.719 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -19.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E13 | E13-A16 WeakPolarHBondContact O-CB 3.17Å; E13-A16 PolarHBondContact O-N 3.19Å; E13-A16 VanDerWaalsContact O-N 3.11Å |
| 17 | A | 43.6 | Very low | 49.2 | Very low | 84 Ų | 84 | 112.5 Ų | 112.5 | 69% | 0.694 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -106.2 | -7.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | W15 | W15-A17 VanDerWaalsContact C-N 3.26Å; W15-A17 PolarHBondContact O-N 2.72Å |
| 18 | L | 45.3 | Very low | 50.9 | Low | 129 Ų | 129 | 111.9 Ų | 111.9 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -98.7 | -1.9 | -176.8 | -85 | 167 | 0 | 0 | 0 | 114.7 | C14 | C14-L18 WeakPolarHBondContact O-CD1 3.16Š|
| 19 | L | 49.7 | Very low | 52.6 | Low | 147 Ų | 147 | 107.3 Ų | 107.3 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -122.4 | -3 | -174.8 | -86.3 | 171.3 | 0 | 0 | 0 | 115.8 | ||
| 20 | H | 47.4 | Very low | 54.6 | Low | 134 Ų | 134 | 103.7 Ų | 103.7 | 62% | 0.62 | 59% | 0.59 | S | S | * | * | trans | -117.4 | 85.1 | 171 | -131.1 | 78.3 | 0 | 0 | 0 | 106.8 | P22 | H20-P22 WeakPolarHBondContact O-CD 3.15Š| ||
| 21 | D | 41.9 | Very low | 56.6 | Low | 103 Ų | 103 | 100.4 Ų | 100.4 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | trans | -64.8 | 112.8 | 160.6 | -177 | -86.4 | 0 | 0 | 0 | 106.6 | M23 | D21-M23 PolarHBondContact O-N 3.2Å; D21-M23 WeakPolarHBondContact OD1-CA 3.3Å; D21-M23 WeakPolarHBondContact OD1-CB 3.5Å; D21-M23 PolarHBondContact OD1-N 3.31Å | ||
| 22 | P | 54.3 | Low | 58.7 | Low | 109 Ų | 109 | 99.1 Ų | 99.1 | 71% | 0.708 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 2.5 | -178.3 | 31.6 | -34.2 | 0 | 0 | 0 | 112.8 | H20 | H20-P22 WeakPolarHBondContact O-CD 3.15Š|
| 23 | M | 48.9 | Very low | 60.8 | Low | 169 Ų | 169 | 98 Ų | 98 | 83% | 0.833 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -14.6 | -170.2 | -152.7 | 172.9 | -179.4 | 0 | 0 | 113.3 | D21 | D21-M23 PolarHBondContact O-N 3.2Å; D21-M23 WeakPolarHBondContact OD1-CA 3.3Å; D21-M23 WeakPolarHBondContact OD1-CB 3.5Å; D21-M23 PolarHBondContact OD1-N 3.31Å |
| 24 | T | 49.9 | Very low | 62.9 | Low | 108 Ų | 108 | 91 Ų | 91 | 66% | 0.663 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -112.6 | 81.4 | 162.6 | 64.8 | 0 | 0 | 0 | 0 | 108.5 | D26 | T24-D26 VanDerWaalsContact C-N 3.25Å; T24-D26 PolarHBondContact O-N 3.4Å |
| 25 | L | 60.3 | Low | 65.3 | Low | 84 Ų | 84 | 89.8 Ų | 89.8 | 44% | 0.44 | 50% | 0.5 | S | S | . | . | trans | -61 | 91.5 | 177.1 | -167.5 | 142.9 | 0 | 0 | 0 | 108.6 | M27 V30 W54 | L25-M27 PolarHBondContact O-N 3.25Å; L25-V30 HydrophobicContact CD2-CG2 4.08Å; L25-V30 HydrophobicContact CG-CG1 4.4Å; L25-W54 HydrophobicContact CD1-CB 3.92Å; L25-W54 HydrophobicContact CD2-CB 3.39Å; L25-W54 HydrophobicContact CD2-CD2 4.16Å; L25-W54 HydrophobicContact CD2-CE3 4.35Å; L25-W54 HydrophobicContact CD2-CG 3.78Å; L25-W54 HydrophobicContact CG-CB 4.29Å | ||
| 26 | D | 77.1 | Confident | 67.6 | Low | 97 Ų | 97 | 89.8 Ų | 89.8 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | trans | -74.6 | 101.6 | -179.1 | -153.9 | -72.9 | 0 | 0 | 0 | 106.1 | T24 D28 A29 V30 | T24-D26 VanDerWaalsContact C-N 3.25Å; T24-D26 PolarHBondContact O-N 3.4Å; D26-D28 PolarHBondContact O-N 2.99Å; D26-D28 VanDerWaalsContact O-N 3.07Å; D26-A29 HydrophobicContact CB-CB 3.84Å; D26-A29 WeakPolarHBondContact O-CA 3.37Å; D26-A29 WeakPolarHBondContact O-CB 3.38Å; D26-A29 PolarHBondContact O-N 2.93Å; D26-V30 PolarHBondContact O-N 3.39Å | ||
| 27 | M | 80.9 | Confident | 69.2 | Low | 102 Ų | 102 | 89 Ų | 89 | 50% | 0.502 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -50.2 | -34.7 | -176.7 | -66.5 | 164.1 | 80 | 0 | 0 | 110.9 | L25 V30 L31 W54 | L25-M27 PolarHBondContact O-N 3.25Å; M27-V30 WeakPolarHBondContact O-CG2 3.5Å; M27-L31 WeakPolarHBondContact O-CB 3.32Å; M27-L31 PolarHBondContact O-N 2.96Å; M27-W54 HydrophobicContact CB-CE3 4.23Å; M27-W54 HydrophobicContact CB-CH2 3.77Å; M27-W54 HydrophobicContact CB-CZ2 4.39Å; M27-W54 HydrophobicContact CB-CZ3 3.68Å; M27-W54 HydrophobicContact CE-CH2 3.53Å; M27-W54 HydrophobicContact CE-CZ2 3.15Å; M27-W54 HydrophobicContact CG-CD2 4.31Å; M27-W54 HydrophobicContact CG-CE3 4.25Å; M27-W54 HydrophobicContact CG-CH2 3.95Å; M27-W54 HydrophobicContact CG-CZ2 4.06Å; M27-W54 HydrophobicContact CG-CZ3 4.05Å; M27-W54 HydrophobicContact SD-CZ2 4.41Å |
| 28 | D | 82 | Confident | 71 | Confident | 106 Ų | 106 | 86.1 Ų | 86.1 | 57% | 0.567 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -72.6 | -36.2 | 177.7 | -165.3 | -100.1 | 0 | 0 | 0 | 112.4 | D26 S32 | D26-D28 PolarHBondContact O-N 2.99Å; D26-D28 VanDerWaalsContact O-N 3.07Å; D28-S32 WeakPolarHBondContact O-CB 3.45Å; D28-S32 PolarHBondContact O-N 3.26Å; D28-S32 PolarHBondContact O-OG 2.96Å |
| 29 | A | 82.5 | Confident | 72.9 | Confident | 37 Ų | 37 | 83.1 Ų | 83.1 | 31% | 0.306 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.7 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D26 S32 D33 | D26-A29 HydrophobicContact CB-CB 3.84Å; D26-A29 WeakPolarHBondContact O-CA 3.37Å; D26-A29 WeakPolarHBondContact O-CB 3.38Å; D26-A29 PolarHBondContact O-N 2.93Å; A29-S32 PolarHBondContact O-N 3.29Å; A29-D33 WeakPolarHBondContact O-CB 3.41Å; A29-D33 PolarHBondContact O-N 3.46Å |
| 30 | V | 85.3 | Confident | 74.5 | Confident | 12 Ų | 12 | 76.6 Ų | 76.6 | 7% | 0.073 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.4 | -35.8 | 177.4 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | L25 D26 M27 F34 L49 W54 | L25-V30 HydrophobicContact CD2-CG2 4.08Å; L25-V30 HydrophobicContact CG-CG1 4.4Å; D26-V30 PolarHBondContact O-N 3.39Å; M27-V30 WeakPolarHBondContact O-CG2 3.5Å; V30-F34 WeakPolarHBondContact O-CB 3.01Å; V30-F34 PolarHBondContact O-N 3.43Å; V30-L49 HydrophobicContact CG2-CD1 4.41Å; V30-W54 HydrophobicContact CG2-CE3 3.47Å; V30-W54 VanDerWaalsContact CG2-CE3 3.47Å; V30-W54 HydrophobicContact CG2-CZ3 3.99Å |
| 31 | L | 89.1 | Confident | 76.3 | Confident | 33 Ų | 33 | 77.2 Ų | 77.2 | 17% | 0.173 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 173.5 | -176.5 | 66.4 | 0 | 0 | 0 | 111.2 | M27 F34 V35 A45 R46 L49 | M27-L31 WeakPolarHBondContact O-CB 3.32Å; M27-L31 PolarHBondContact O-N 2.96Å; L31-F34 PolarHBondContact O-N 2.77Å; L31-V35 WeakPolarHBondContact O-CB 3.34Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.47Å; L31-V35 PolarHBondContact O-N 2.97Å; L31-A45 HydrophobicContact CD1-CB 3.52Å; L31-R46 HydrophobicContact CD1-CB 3.94Å; L31-L49 HydrophobicContact CB-CD1 4.25Å; L31-L49 HydrophobicContact CD1-CD1 4.02Å |
| 32 | S | 86.5 | Confident | 78.3 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 42% | 0.42 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 177.3 | -73 | 0 | 0 | 0 | 0 | 111.8 | D28 A29 V35 R36 | D28-S32 WeakPolarHBondContact O-CB 3.45Å; D28-S32 PolarHBondContact O-N 3.26Å; D28-S32 PolarHBondContact O-OG 2.96Å; A29-S32 PolarHBondContact O-N 3.29Å; S32-V35 PolarHBondContact O-N 3.41Å; S32-R36 WeakPolarHBondContact O-CB 3.21Å; S32-R36 PolarHBondContact O-N 3.5Å |
| 33 | D | 88.6 | Confident | 80 | Confident | 55 Ų | 55 | 73 Ų | 73 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 178 | -159.2 | -90.3 | 0 | 0 | 0 | 111.6 | A29 R36 S37 L56 | A29-D33 WeakPolarHBondContact O-CB 3.41Å; A29-D33 PolarHBondContact O-N 3.46Å; D33-R36 PolarHBondContact O-N 2.86Å; D33-S37 WeakPolarHBondContact O-CB 3.02Å; D33-S37 PolarHBondContact O-N 3.4Å; D33-S37 PolarHBondContact O-OG 2.84Å; D33-S37 PolarHBondContact OD1-OG 3.41Å; D33-L56 HydrophobicContact CB-CD2 4.09Å |
| 34 | F | 88.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.4 | -51.9 | 173.5 | -173.8 | -83.4 | 0 | 0 | 0 | 111.4 | V30 L31 R36 S37 T38 A40 A45 L48 L49 L56 A59 L60 Y63 | V30-F34 WeakPolarHBondContact O-CB 3.01Å; V30-F34 PolarHBondContact O-N 3.43Å; L31-F34 PolarHBondContact O-N 2.77Å; F34-R36 VanDerWaalsContact C-N 3.32Å; F34-R36 PolarHBondContact O-N 2.67Å; F34-S37 PolarHBondContact O-N 2.76Å; F34-T38 HydrophobicContact CD1-CG2 4.28Å; F34-T38 HydrophobicContact CD2-CG2 4.32Å; F34-T38 HydrophobicContact CE1-CG2 4.11Å; F34-T38 HydrophobicContact CE2-CG2 4.1Å; F34-T38 HydrophobicContact CG-CG2 4.42Å; F34-T38 HydrophobicContact CZ-CG2 4.02Å; F34-T38 VanDerWaalsContact O-CB 3.29Å; F34-T38 WeakPolarHBondContact O-CB 3.49Å; F34-T38 WeakPolarHBondContact O-CG2 2.89Å; F34-T38 PolarHBondContact O-N 3.48Å; F34-T38 PolarHBondContact O-OG1 2.9Å; F34-A40 HydrophobicContact CD1-CB 4.49Å; F34-A40 HydrophobicContact CE1-CB 3.85Å; F34-A45 HydrophobicContact CD1-CB 3.2Å; F34-A45 HydrophobicContact CE1-CB 3.59Å; F34-A45 HydrophobicContact CG-CB 4.12Å; F34-L48 HydrophobicContact CE1-CD1 4.38Å; F34-L48 HydrophobicContact CZ-CD1 3.69Å; F34-L49 HydrophobicContact CB-CD1 4.05Å; F34-L49 HydrophobicContact CG-CD1 4.45Å; F34-L56 HydrophobicContact CB-CD1 3.8Å; F34-L56 HydrophobicContact CD2-CD1 4.21Å; F34-A59 HydrophobicContact CD2-CB 3.86Å; F34-A59 HydrophobicContact CE2-CB 3.64Å; F34-L60 HydrophobicContact CD2-CD2 4.39Å; F34-L60 HydrophobicContact CD2-CG 4.38Å; F34-Y63 HydrophobicContact CZ-CD2 4.34Å; F34-Y63 HydrophobicContact CZ-CG 4.13Å |
| 35 | V | 88.9 | Confident | 83.7 | Confident | 44 Ų | 44 | 64 Ų | 64 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L31 S32 G39 A40 P42 A45 | L31-V35 WeakPolarHBondContact O-CB 3.34Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.47Å; L31-V35 PolarHBondContact O-N 2.97Å; S32-V35 PolarHBondContact O-N 3.41Å; V35-G39 WeakPolarHBondContact O-CA 3.08Å; V35-G39 PolarHBondContact O-N 3.25Å; V35-A40 WeakPolarHBondContact CG1-O 3.43Å; V35-P42 HydrophobicContact CG2-CB 4.19Å; V35-A45 HydrophobicContact CG2-CB 3.7Å |
| 36 | R | 81.9 | Confident | 85.1 | Confident | 185 Ų | 185 | 66.8 Ų | 66.8 | 70% | 0.698 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -73.3 | -31.8 | 179.4 | -177.2 | 172.5 | 171.5 | -95.3 | 0.6 | 113.5 | S32 D33 F34 | S32-R36 WeakPolarHBondContact O-CB 3.21Å; S32-R36 PolarHBondContact O-N 3.5Å; D33-R36 PolarHBondContact O-N 2.86Å; F34-R36 VanDerWaalsContact C-N 3.32Å; F34-R36 PolarHBondContact O-N 2.67Å |
| 37 | S | 80.8 | Confident | 85.8 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 49% | 0.49 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -81.4 | -35.9 | 178.2 | -78.2 | 0 | 0 | 0 | 0 | 112.2 | D33 F34 | D33-S37 WeakPolarHBondContact O-CB 3.02Å; D33-S37 PolarHBondContact O-N 3.4Å; D33-S37 PolarHBondContact O-OG 2.84Å; D33-S37 PolarHBondContact OD1-OG 3.41Å; F34-S37 PolarHBondContact O-N 2.76Å |
| 38 | T | 81.6 | Confident | 86.2 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 15% | 0.153 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -104.9 | -24.4 | -173.3 | 65.2 | 0 | 0 | 0 | 0 | 114.9 | F34 A40 L60 Y63 | F34-T38 HydrophobicContact CD1-CG2 4.28Å; F34-T38 HydrophobicContact CD2-CG2 4.32Å; F34-T38 HydrophobicContact CE1-CG2 4.11Å; F34-T38 HydrophobicContact CE2-CG2 4.1Å; F34-T38 HydrophobicContact CG-CG2 4.42Å; F34-T38 HydrophobicContact CZ-CG2 4.02Å; F34-T38 VanDerWaalsContact O-CB 3.29Å; F34-T38 WeakPolarHBondContact O-CB 3.49Å; F34-T38 WeakPolarHBondContact O-CG2 2.89Å; F34-T38 PolarHBondContact O-N 3.48Å; F34-T38 PolarHBondContact O-OG1 2.9Å; T38-A40 PolarHBondContact O-N 3.5Å; T38-A40 WeakPolarHBondContact OG1-CB 3.34Å; T38-A40 PolarHBondContact OG1-N 2.84Å; T38-A40 VanDerWaalsContact OG1-N 3.13Å; T38-L60 HydrophobicContact CG2-CD2 3.43Å; T38-L60 VanDerWaalsContact CG2-CD2 3.43Å; T38-Y63 HydrophobicContact CG2-CD1 3.51Å; T38-Y63 HydrophobicContact CG2-CE1 3.77Å; T38-Y63 HydrophobicContact CG2-CG 4.16Å; T38-Y63 PolarHBondContact O-OH 2.86Å |
| 39 | G | 84.7 | Confident | 86.5 | Confident | 66 Ų | 66 | 58.8 Ų | 58.8 | 68% | 0.68 | 34% | 0.336 | S | S | * | . | trans | 70 | 12.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V35 | V35-G39 WeakPolarHBondContact O-CA 3.08Å; V35-G39 PolarHBondContact O-N 3.25Å | ||
| 40 | A | 82.8 | Confident | 86.8 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | trans | -73.5 | 156.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F34 V35 T38 L44 Y63 | F34-A40 HydrophobicContact CD1-CB 4.49Å; F34-A40 HydrophobicContact CE1-CB 3.85Å; V35-A40 WeakPolarHBondContact CG1-O 3.43Å; T38-A40 PolarHBondContact O-N 3.5Å; T38-A40 WeakPolarHBondContact OG1-CB 3.34Å; T38-A40 PolarHBondContact OG1-N 2.84Å; T38-A40 VanDerWaalsContact OG1-N 3.13Å; A40-L44 HydrophobicContact CB-CD2 4.19Å; A40-Y63 HydrophobicContact CB-CD2 4.44Å; A40-Y63 HydrophobicContact CB-CE2 3.77Å | ||
| 41 | E | 87.3 | Confident | 86.9 | Confident | 148 Ų | 148 | 64.7 Ų | 64.7 | 69% | 0.692 | 37% | 0.373 | S | S | * | . | trans | -58.6 | 137.8 | 174.3 | -83 | -82.4 | 93 | 0 | 0 | 111.3 | G43 L44 A45 | E41-G43 PolarHBondContact O-N 3.32Å; E41-G43 VanDerWaalsContact O-N 3.13Å; E41-L44 PolarHBondContact O-N 3.4Å; E41-A45 WeakPolarHBondContact O-CB 3.12Å; E41-A45 PolarHBondContact O-N 2.81Å | ||
| 42 | P | 83.9 | Confident | 86.8 | Confident | 68 Ų | 68 | 66.7 Ų | 66.7 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -25.3 | -178.2 | 23.9 | -33.4 | 0 | 0 | 0 | 113.3 | V35 R46 | V35-P42 HydrophobicContact CG2-CB 4.19Å; P42-R46 WeakPolarHBondContact O-CB 3.29Å; P42-R46 PolarHBondContact O-N 2.96Å |
| 43 | G | 89.2 | Confident | 86.9 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 57% | 0.567 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69 | -42.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E41 D47 | E41-G43 PolarHBondContact O-N 3.32Å; E41-G43 VanDerWaalsContact O-N 3.13Å; G43-D47 PolarHBondContact O-N 2.76Å |
| 44 | L | 87.1 | Confident | 86.8 | Confident | 89 Ų | 89 | 70 Ų | 70 | 47% | 0.466 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -75.6 | -38.4 | 179.3 | -179.5 | 144.7 | 0 | 0 | 0 | 111.5 | A40 E41 R46 D47 L48 Y63 | A40-L44 HydrophobicContact CB-CD2 4.19Å; E41-L44 PolarHBondContact O-N 3.4Å; L44-R46 VanDerWaalsContact C-N 3.27Å; L44-R46 PolarHBondContact O-N 2.87Å; L44-D47 PolarHBondContact O-N 3.34Å; L44-L48 HydrophobicContact CD2-CD1 3.53Å; L44-L48 HydrophobicContact CD2-CG 4.24Å; L44-L48 HydrophobicContact CG-CD1 4.43Å; L44-L48 PolarHBondContact O-N 2.85Å; L44-Y63 HydrophobicContact CD2-CD2 4.41Å |
| 45 | A | 89.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.2 | -43.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L31 F34 V35 E41 L49 | L31-A45 HydrophobicContact CD1-CB 3.52Å; F34-A45 HydrophobicContact CD1-CB 3.2Å; F34-A45 HydrophobicContact CE1-CB 3.59Å; F34-A45 HydrophobicContact CG-CB 4.12Å; V35-A45 HydrophobicContact CG2-CB 3.7Å; E41-A45 WeakPolarHBondContact O-CB 3.12Å; E41-A45 PolarHBondContact O-N 2.81Å; A45-L49 VanDerWaalsContact O-CB 3.32Å; A45-L49 WeakPolarHBondContact O-CB 3.36Å; A45-L49 WeakPolarHBondContact O-CD1 3.26Å; A45-L49 VanDerWaalsContact O-CG 3.26Å; A45-L49 WeakPolarHBondContact O-CG 3.44Å; A45-L49 PolarHBondContact O-N 3.36Å |
| 46 | R | 89.9 | Confident | 86.4 | Confident | 141 Ų | 141 | 73.6 Ų | 73.6 | 53% | 0.532 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 176.7 | 179.7 | 178.8 | 170.7 | 179.9 | -1.6 | 112.2 | L31 P42 L44 L49 E50 W54 | L31-R46 HydrophobicContact CD1-CB 3.94Å; P42-R46 WeakPolarHBondContact O-CB 3.29Å; P42-R46 PolarHBondContact O-N 2.96Å; L44-R46 VanDerWaalsContact C-N 3.27Å; L44-R46 PolarHBondContact O-N 2.87Å; R46-L49 PolarHBondContact O-N 3.45Å; R46-E50 WeakPolarHBondContact O-CB 3.18Å; R46-E50 PolarHBondContact O-N 2.92Å; R46-W54 HydrophobicContact CG-CH2 4.36Å |
| 47 | D | 90.1 | Very high | 86.6 | Confident | 114 Ų | 114 | 70 Ų | 70 | 61% | 0.61 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | 178.8 | -175.3 | -97.6 | 0 | 0 | 0 | 111.8 | G43 L44 E50 G51 | G43-D47 PolarHBondContact O-N 2.76Å; L44-D47 PolarHBondContact O-N 3.34Å; D47-E50 PolarHBondContact O-N 2.62Å; D47-G51 PolarHBondContact O-N 2.87Å |
| 48 | L | 90.2 | Very high | 86.9 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 12% | 0.12 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 176.4 | -74.2 | 175.8 | 0 | 0 | 0 | 112.6 | F34 L44 G51 K52 A59 Y63 | F34-L48 HydrophobicContact CE1-CD1 4.38Å; F34-L48 HydrophobicContact CZ-CD1 3.69Å; L44-L48 HydrophobicContact CD2-CD1 3.53Å; L44-L48 HydrophobicContact CD2-CG 4.24Å; L44-L48 HydrophobicContact CG-CD1 4.43Å; L44-L48 PolarHBondContact O-N 2.85Å; L48-G51 PolarHBondContact O-N 3.29Å; L48-K52 WeakPolarHBondContact O-CB 3.35Å; L48-K52 WeakPolarHBondContact O-CG 3.32Å; L48-K52 PolarHBondContact O-N 3.07Å; L48-A59 HydrophobicContact CB-CB 4.5Å; L48-Y63 HydrophobicContact CD1-CD2 4.45Å |
| 49 | L | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 177 | -76.4 | 164.9 | 0 | 0 | 0 | 110.5 | V30 L31 F34 A45 R46 G51 K52 N53 W54 A59 | V30-L49 HydrophobicContact CG2-CD1 4.41Å; L31-L49 HydrophobicContact CB-CD1 4.25Å; L31-L49 HydrophobicContact CD1-CD1 4.02Å; F34-L49 HydrophobicContact CB-CD1 4.05Å; F34-L49 HydrophobicContact CG-CD1 4.45Å; A45-L49 VanDerWaalsContact O-CB 3.32Å; A45-L49 WeakPolarHBondContact O-CB 3.36Å; A45-L49 WeakPolarHBondContact O-CD1 3.26Å; A45-L49 VanDerWaalsContact O-CG 3.26Å; A45-L49 WeakPolarHBondContact O-CG 3.44Å; A45-L49 PolarHBondContact O-N 3.36Å; R46-L49 PolarHBondContact O-N 3.45Å; L49-G51 VanDerWaalsContact C-N 3.32Å; L49-G51 PolarHBondContact O-N 3.04Å; L49-K52 CarbonylContact O-C 3.42Å; L49-K52 PolarHBondContact O-N 2.92Å; L49-N53 PolarHBondContact O-N 3.43Å; L49-W54 HydrophobicContact CB-CD2 4.34Å; L49-W54 HydrophobicContact CB-CE3 3.86Å; L49-W54 HydrophobicContact CB-CZ3 4.24Å; L49-W54 HydrophobicContact CD1-CE3 4.32Å; L49-W54 HydrophobicContact CD1-CZ3 4.34Å; L49-W54 VanDerWaalsContact O-CA 3.27Å; L49-W54 WeakPolarHBondContact O-CA 3.06Å; L49-W54 PolarHBondContact O-N 3.07Å; L49-A59 HydrophobicContact CD2-CB 3.77Å; L49-A59 HydrophobicContact CG-CB 4.2Å |
| 50 | E | 88.6 | Confident | 87.5 | Confident | 113 Ų | 113 | 66.3 Ų | 66.3 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 176.8 | -168.7 | 172.5 | 103.6 | 0 | 0 | 111.4 | R46 D47 K52 N53 | R46-E50 WeakPolarHBondContact O-CB 3.18Å; R46-E50 PolarHBondContact O-N 2.92Å; D47-E50 PolarHBondContact O-N 2.62Å; E50-K52 PolarHBondContact O-N 3.49Å; E50-N53 PolarHBondContact O-N 2.91Å |
| 51 | G | 86.1 | Confident | 87.7 | Confident | 60 Ų | 60 | 69 Ų | 69 | 62% | 0.619 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68.5 | -12.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D47 L48 L49 | D47-G51 PolarHBondContact O-N 2.87Å; L48-G51 PolarHBondContact O-N 3.29Å; L49-G51 VanDerWaalsContact C-N 3.32Å; L49-G51 PolarHBondContact O-N 3.04Å |
| 52 | K | 88.4 | Confident | 87.6 | Confident | 75 Ų | 75 | 64.1 Ų | 64.1 | 33% | 0.326 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 19.9 | 179 | -63.2 | -68 | 125.2 | 146.3 | 0 | 112.9 | L48 L49 E50 W54 D55 A58 A59 D62 | L48-K52 WeakPolarHBondContact O-CB 3.35Å; L48-K52 WeakPolarHBondContact O-CG 3.32Å; L48-K52 PolarHBondContact O-N 3.07Å; L49-K52 CarbonylContact O-C 3.42Å; L49-K52 PolarHBondContact O-N 2.92Å; E50-K52 PolarHBondContact O-N 3.49Å; K52-W54 PolarHBondContact O-N 3.42Å; K52-D55 WeakPolarHBondContact O-CB 3.44Å; K52-D55 PolarHBondContact O-N 3.25Å; K52-A58 HydrophobicContact CB-CB 4.06Å; K52-A58 HydrophobicContact CD-CB 3.89Å; K52-A58 HydrophobicContact CG-CB 4.14Å; K52-A59 HydrophobicContact CB-CB 4.46Å; K52-A59 HydrophobicContact CG-CB 4.32Å; K52-D62 IonicContact NZ-OD2 2.79Å; K52-D62 PolarHBondContact NZ-OD2 2.78Å |
| 53 | N | 87.9 | Confident | 87.8 | Confident | 142 Ų | 142 | 63 Ų | 63 | 76% | 0.759 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 36.9 | -176.4 | -170.5 | 80.5 | 0 | 0 | 0 | 112.4 | L49 E50 D55 | L49-N53 PolarHBondContact O-N 3.43Å; E50-N53 PolarHBondContact O-N 2.91Å; N53-D55 PolarHBondContact O-N 2.95Å; N53-D55 VanDerWaalsContact O-N 3.14Å |
| 54 | W | 85.6 | Confident | 87.6 | Confident | 43 Ų | 43 | 64.7 Ų | 64.7 | 16% | 0.163 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 22.8 | -174.1 | -60.7 | 85.2 | 0 | 0 | 0 | 114.7 | L25 M27 V30 R46 L49 K52 L56 | L25-W54 HydrophobicContact CD1-CB 3.92Å; L25-W54 HydrophobicContact CD2-CB 3.39Å; L25-W54 HydrophobicContact CD2-CD2 4.16Å; L25-W54 HydrophobicContact CD2-CE3 4.35Å; L25-W54 HydrophobicContact CD2-CG 3.78Å; L25-W54 HydrophobicContact CG-CB 4.29Å; M27-W54 HydrophobicContact CB-CE3 4.23Å; M27-W54 HydrophobicContact CB-CH2 3.77Å; M27-W54 HydrophobicContact CB-CZ2 4.39Å; M27-W54 HydrophobicContact CB-CZ3 3.68Å; M27-W54 HydrophobicContact CE-CH2 3.53Å; M27-W54 HydrophobicContact CE-CZ2 3.15Å; M27-W54 HydrophobicContact CG-CD2 4.31Å; M27-W54 HydrophobicContact CG-CE3 4.25Å; M27-W54 HydrophobicContact CG-CH2 3.95Å; M27-W54 HydrophobicContact CG-CZ2 4.06Å; M27-W54 HydrophobicContact CG-CZ3 4.05Å; M27-W54 HydrophobicContact SD-CZ2 4.41Å; V30-W54 HydrophobicContact CG2-CE3 3.47Å; V30-W54 VanDerWaalsContact CG2-CE3 3.47Å; V30-W54 HydrophobicContact CG2-CZ3 3.99Å; R46-W54 HydrophobicContact CG-CH2 4.36Å; L49-W54 HydrophobicContact CB-CD2 4.34Å; L49-W54 HydrophobicContact CB-CE3 3.86Å; L49-W54 HydrophobicContact CB-CZ3 4.24Å; L49-W54 HydrophobicContact CD1-CE3 4.32Å; L49-W54 HydrophobicContact CD1-CZ3 4.34Å; L49-W54 VanDerWaalsContact O-CA 3.27Å; L49-W54 WeakPolarHBondContact O-CA 3.06Å; L49-W54 PolarHBondContact O-N 3.07Å; K52-W54 PolarHBondContact O-N 3.42Å; W54-L56 PolarHBondContact O-N 3.49Å |
| 55 | D | 86.7 | Confident | 87.4 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | trans | -78.8 | 102.7 | 176 | -164.9 | -78.5 | 0 | 0 | 0 | 110 | K52 N53 T57 A58 A59 | K52-D55 WeakPolarHBondContact O-CB 3.44Å; K52-D55 PolarHBondContact O-N 3.25Å; N53-D55 PolarHBondContact O-N 2.95Å; N53-D55 VanDerWaalsContact O-N 3.14Å; D55-T57 PolarHBondContact O-N 3.25Å; D55-T57 WeakPolarHBondContact OD1-CB 3.1Å; D55-T57 PolarHBondContact OD1-N 3.39Å; D55-A58 HydrophobicContact CB-CB 3.95Å; D55-A58 PolarHBondContact O-N 3.28Å; D55-A58 WeakPolarHBondContact OD1-CB 3.22Å; D55-A58 PolarHBondContact OD1-N 3Å; D55-A59 WeakPolarHBondContact O-CB 3.22Å; D55-A59 PolarHBondContact O-N 3.05Å | ||
| 56 | L | 83.7 | Confident | 86.9 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 22% | 0.22 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.9 | -37.6 | -178.9 | 179.7 | 63.8 | 0 | 0 | 0 | 112 | D33 F34 W54 L60 | D33-L56 HydrophobicContact CB-CD2 4.09Å; F34-L56 HydrophobicContact CB-CD1 3.8Å; F34-L56 HydrophobicContact CD2-CD1 4.21Å; W54-L56 PolarHBondContact O-N 3.49Å; L56-L60 HydrophobicContact CD1-CD1 4.22Å; L56-L60 HydrophobicContact CD1-CG 4.32Å; L56-L60 HydrophobicContact CG-CD1 4.02Å; L56-L60 VanDerWaalsContact O-CB 3.31Å; L56-L60 WeakPolarHBondContact O-CB 3.36Å; L56-L60 VanDerWaalsContact O-CG 3.23Å; L56-L60 WeakPolarHBondContact O-CG 3.18Å; L56-L60 PolarHBondContact O-N 2.71Å |
| 57 | T | 84.5 | Confident | 86.3 | Confident | 109 Ų | 109 | 68.4 Ų | 68.4 | 67% | 0.669 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.3 | -46.9 | -179.5 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | D55 L60 S61 | D55-T57 PolarHBondContact O-N 3.25Å; D55-T57 WeakPolarHBondContact OD1-CB 3.1Å; D55-T57 PolarHBondContact OD1-N 3.39Å; T57-L60 PolarHBondContact O-N 3.05Å; T57-S61 PolarHBondContact O-N 2.78Å; T57-S61 VanDerWaalsContact O-N 3.07Å |
| 58 | A | 88.6 | Confident | 85.3 | Confident | 35 Ų | 35 | 68.3 Ų | 68.3 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | K52 D55 S61 D62 | K52-A58 HydrophobicContact CB-CB 4.06Å; K52-A58 HydrophobicContact CD-CB 3.89Å; K52-A58 HydrophobicContact CG-CB 4.14Å; D55-A58 HydrophobicContact CB-CB 3.95Å; D55-A58 PolarHBondContact O-N 3.28Å; D55-A58 WeakPolarHBondContact OD1-CB 3.22Å; D55-A58 PolarHBondContact OD1-N 3Å; A58-S61 PolarHBondContact O-N 3.1Å; A58-D62 PolarHBondContact O-N 2.91Å |
| 59 | A | 90.1 | Very high | 84 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F34 L48 L49 K52 D55 S61 D62 Y63 | F34-A59 HydrophobicContact CD2-CB 3.86Å; F34-A59 HydrophobicContact CE2-CB 3.64Å; L48-A59 HydrophobicContact CB-CB 4.5Å; L49-A59 HydrophobicContact CD2-CB 3.77Å; L49-A59 HydrophobicContact CG-CB 4.2Å; K52-A59 HydrophobicContact CB-CB 4.46Å; K52-A59 HydrophobicContact CG-CB 4.32Å; D55-A59 WeakPolarHBondContact O-CB 3.22Å; D55-A59 PolarHBondContact O-N 3.05Å; A59-S61 VanDerWaalsContact C-N 3.3Å; A59-S61 PolarHBondContact O-N 3.38Å; A59-D62 PolarHBondContact O-N 2.79Å; A59-Y63 PolarHBondContact O-N 3.28Å; A59-Y63 VanDerWaalsContact O-N 3.07Å |
| 60 | L | 87.5 | Confident | 82.6 | Confident | 48 Ų | 48 | 78.8 Ų | 78.8 | 25% | 0.251 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 176.2 | -80.9 | 168.3 | 0 | 0 | 0 | 111.4 | F34 T38 L56 T57 D62 Y63 E64 | F34-L60 HydrophobicContact CD2-CD2 4.39Å; F34-L60 HydrophobicContact CD2-CG 4.38Å; T38-L60 HydrophobicContact CG2-CD2 3.43Å; T38-L60 VanDerWaalsContact CG2-CD2 3.43Å; L56-L60 HydrophobicContact CD1-CD1 4.22Å; L56-L60 HydrophobicContact CD1-CG 4.32Å; L56-L60 HydrophobicContact CG-CD1 4.02Å; L56-L60 VanDerWaalsContact O-CB 3.31Å; L56-L60 WeakPolarHBondContact O-CB 3.36Å; L56-L60 VanDerWaalsContact O-CG 3.23Å; L56-L60 WeakPolarHBondContact O-CG 3.18Å; L56-L60 PolarHBondContact O-N 2.71Å; T57-L60 PolarHBondContact O-N 3.05Å; L60-D62 PolarHBondContact O-N 3.39Å; L60-Y63 PolarHBondContact O-N 3.19Å; L60-E64 WeakPolarHBondContact O-CB 3.27Å; L60-E64 WeakPolarHBondContact O-CG 3.45Å; L60-E64 PolarHBondContact O-N 3.26Å |
| 61 | S | 87.3 | Confident | 80.8 | Confident | 65 Ų | 65 | 77.1 Ų | 77.1 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 177.6 | -170.4 | 0 | 0 | 0 | 0 | 112.2 | T57 A58 A59 E64 Q65 | T57-S61 PolarHBondContact O-N 2.78Å; T57-S61 VanDerWaalsContact O-N 3.07Å; A58-S61 PolarHBondContact O-N 3.1Å; A59-S61 VanDerWaalsContact C-N 3.3Å; A59-S61 PolarHBondContact O-N 3.38Å; S61-E64 PolarHBondContact O-N 3.02Å; S61-Q65 VanDerWaalsContact O-CB 3.22Å; S61-Q65 WeakPolarHBondContact O-CB 3.37Å; S61-Q65 PolarHBondContact O-N 2.74Å |
| 62 | D | 86.2 | Confident | 79.1 | Confident | 47 Ų | 47 | 78 Ų | 78 | 25% | 0.251 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 179.9 | -142.7 | -79.2 | 0 | 0 | 0 | 110.9 | K52 A58 A59 L60 Q65 L66 | K52-D62 IonicContact NZ-OD2 2.79Å; K52-D62 PolarHBondContact NZ-OD2 2.78Å; A58-D62 PolarHBondContact O-N 2.91Å; A59-D62 PolarHBondContact O-N 2.79Å; L60-D62 PolarHBondContact O-N 3.39Å; D62-Q65 PolarHBondContact O-N 3.29Å; D62-L66 PolarHBondContact O-N 3.28Å |
| 63 | Y | 86.3 | Confident | 77.3 | Confident | 45 Ų | 45 | 81.4 Ų | 81.4 | 18% | 0.176 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 177.2 | -178.5 | -100.7 | 0 | 0 | 0 | 113.1 | F34 T38 A40 L44 L48 A59 L60 Q65 L66 R67 | F34-Y63 HydrophobicContact CZ-CD2 4.34Å; F34-Y63 HydrophobicContact CZ-CG 4.13Å; T38-Y63 HydrophobicContact CG2-CD1 3.51Å; T38-Y63 HydrophobicContact CG2-CE1 3.77Å; T38-Y63 HydrophobicContact CG2-CG 4.16Å; T38-Y63 PolarHBondContact O-OH 2.86Å; A40-Y63 HydrophobicContact CB-CD2 4.44Å; A40-Y63 HydrophobicContact CB-CE2 3.77Å; L44-Y63 HydrophobicContact CD2-CD2 4.41Å; L48-Y63 HydrophobicContact CD1-CD2 4.45Å; A59-Y63 PolarHBondContact O-N 3.28Å; A59-Y63 VanDerWaalsContact O-N 3.07Å; L60-Y63 PolarHBondContact O-N 3.19Å; Y63-Q65 VanDerWaalsContact C-N 3.29Å; Y63-Q65 PolarHBondContact O-N 3.06Å; Y63-L66 PolarHBondContact O-N 2.94Å; Y63-R67 HydrophobicContact CD1-CG 4.37Å; Y63-R67 HydrophobicContact CE1-CG 4.05Å; Y63-R67 HydrophobicContact CE2-CG 4.47Å; Y63-R67 VanDerWaalsContact CZ-CD 3.4Å; Y63-R67 WeakPolarHBondContact O-CB 3.31Å; Y63-R67 WeakPolarHBondContact O-CG 3.12Å; Y63-R67 PolarHBondContact O-N 3.47Å |
| 64 | E | 85.1 | Confident | 75.5 | Confident | 90 Ų | 90 | 80.6 Ų | 80.6 | 42% | 0.421 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 173.9 | -73.4 | -110.5 | 93.1 | 0 | 0 | 110.9 | L60 S61 R67 Q68 | L60-E64 WeakPolarHBondContact O-CB 3.27Å; L60-E64 WeakPolarHBondContact O-CG 3.45Å; L60-E64 PolarHBondContact O-N 3.26Å; S61-E64 PolarHBondContact O-N 3.02Å; E64-R67 PolarHBondContact O-N 3.14Å; E64-R67 IonicContact OE1-NH1 3.29Å; E64-R67 PolarHBondContact OE1-NH1 3.03Å; E64-Q68 WeakPolarHBondContact O-CB 3.47Å; E64-Q68 WeakPolarHBondContact O-CG 3.41Å; E64-Q68 PolarHBondContact O-N 3.32Å |
| 65 | Q | 83.8 | Confident | 73.7 | Confident | 119 Ų | 119 | 83.8 Ų | 83.8 | 56% | 0.556 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -70.2 | -39.7 | -177.9 | -154.9 | 161 | -94.1 | 0 | 0 | 112.1 | S61 D62 Y63 Q68 V69 | S61-Q65 VanDerWaalsContact O-CB 3.22Å; S61-Q65 WeakPolarHBondContact O-CB 3.37Å; S61-Q65 PolarHBondContact O-N 2.74Å; D62-Q65 PolarHBondContact O-N 3.29Å; Y63-Q65 VanDerWaalsContact C-N 3.29Å; Y63-Q65 PolarHBondContact O-N 3.06Å; Q65-Q68 PolarHBondContact O-N 2.93Å; Q65-V69 WeakPolarHBondContact O-CB 3.44Å; Q65-V69 WeakPolarHBondContact O-CG2 3.23Å; Q65-V69 PolarHBondContact O-N 2.86Å |
| 66 | L | 79.1 | Confident | 71.9 | Confident | 83 Ų | 83 | 88.3 Ų | 88.3 | 44% | 0.435 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 170.7 | -82.9 | 156 | 0 | 0 | 0 | 111.4 | D62 Y63 Q68 V69 H70 | D62-L66 PolarHBondContact O-N 3.28Å; Y63-L66 PolarHBondContact O-N 2.94Å; L66-Q68 VanDerWaalsContact C-N 3.3Å; L66-Q68 PolarHBondContact O-N 3.2Å; L66-V69 PolarHBondContact O-N 3.07Å; L66-H70 WeakPolarHBondContact O-CB 3.38Å; L66-H70 PolarHBondContact O-CD2 3.49Å; L66-H70 VanDerWaalsContact O-CD2 3.28Å; L66-H70 PolarHBondContact O-N 3.35Å |
| 67 | R | 76.9 | Confident | 70.3 | Confident | 106 Ų | 106 | 91.9 Ų | 91.9 | 40% | 0.4 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 175.6 | -78.8 | -178.7 | 60.4 | -114.2 | 2.8 | 111.8 | Y63 E64 T71 | Y63-R67 HydrophobicContact CD1-CG 4.37Å; Y63-R67 HydrophobicContact CE1-CG 4.05Å; Y63-R67 HydrophobicContact CE2-CG 4.47Å; Y63-R67 VanDerWaalsContact CZ-CD 3.4Å; Y63-R67 WeakPolarHBondContact O-CB 3.31Å; Y63-R67 WeakPolarHBondContact O-CG 3.12Å; Y63-R67 PolarHBondContact O-N 3.47Å; E64-R67 PolarHBondContact O-N 3.14Å; E64-R67 IonicContact OE1-NH1 3.29Å; E64-R67 PolarHBondContact OE1-NH1 3.03Å; R67-T71 WeakPolarHBondContact O-CA 3.31Å; R67-T71 WeakPolarHBondContact O-CB 3.43Å; R67-T71 PolarHBondContact O-N 3.17Å; R67-T71 PolarHBondContact O-OG1 3.4Å |
| 68 | Q | 69.3 | Low | 68.2 | Low | 111 Ų | 111 | 94.7 Ų | 94.7 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 178.1 | -75.7 | 171.1 | 29.2 | 0 | 0 | 111.4 | E64 Q65 L66 T71 A72 | E64-Q68 WeakPolarHBondContact O-CB 3.47Å; E64-Q68 WeakPolarHBondContact O-CG 3.41Å; E64-Q68 PolarHBondContact O-N 3.32Å; Q65-Q68 PolarHBondContact O-N 2.93Å; L66-Q68 VanDerWaalsContact C-N 3.3Å; L66-Q68 PolarHBondContact O-N 3.2Å; Q68-T71 PolarHBondContact O-N 3.33Å; Q68-A72 WeakPolarHBondContact O-CA 3.44Å; Q68-A72 WeakPolarHBondContact O-CB 3.44Å; Q68-A72 PolarHBondContact O-N 3.26Å |
| 69 | V | 63.5 | Low | 66 | Low | 99 Ų | 99 | 100 Ų | 100 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.8 | -41 | 176.5 | 161.5 | 0 | 0 | 0 | 0 | 111.9 | Q65 L66 | Q65-V69 WeakPolarHBondContact O-CB 3.44Å; Q65-V69 WeakPolarHBondContact O-CG2 3.23Å; Q65-V69 PolarHBondContact O-N 2.86Å; L66-V69 PolarHBondContact O-N 3.07Å |
| 70 | H | 60.2 | Low | 64 | Low | 144 Ų | 144 | 107 Ų | 107 | 67% | 0.667 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73.1 | -30.2 | 175.9 | -80.7 | -87.1 | 0 | 0 | 0 | 112.9 | L66 | L66-H70 WeakPolarHBondContact O-CB 3.38Å; L66-H70 PolarHBondContact O-CD2 3.49Å; L66-H70 VanDerWaalsContact O-CD2 3.28Å; L66-H70 PolarHBondContact O-N 3.35Å |
| 71 | T | 51.1 | Low | 61.8 | Low | 78 Ų | 78 | 107.6 Ų | 107.6 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -83 | -32.8 | 175.7 | -62 | 0 | 0 | 0 | 0 | 112 | R67 Q68 N73 L74 | R67-T71 WeakPolarHBondContact O-CA 3.31Å; R67-T71 WeakPolarHBondContact O-CB 3.43Å; R67-T71 PolarHBondContact O-N 3.17Å; R67-T71 PolarHBondContact O-OG1 3.4Å; Q68-T71 PolarHBondContact O-N 3.33Å; T71-N73 PolarHBondContact O-N 2.93Å; T71-L74 CarbonylContact O-C 3.41Å; T71-L74 WeakPolarHBondContact O-CA 3.4Å; T71-L74 PolarHBondContact O-N 3.31Å |
| 72 | A | 49.1 | Very low | 59.7 | Low | 80 Ų | 80 | 116.5 Ų | 116.5 | 66% | 0.661 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -4.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q68 | Q68-A72 WeakPolarHBondContact O-CA 3.44Å; Q68-A72 WeakPolarHBondContact O-CB 3.44Å; Q68-A72 PolarHBondContact O-N 3.26Å |
| 73 | N | 50 | Low | 57.1 | Low | 146 Ų | 146 | 116.8 Ų | 116.8 | 78% | 0.781 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -15 | 161.9 | -142.4 | -95.5 | 0 | 0 | 0 | 112.1 | T71 | T71-N73 PolarHBondContact O-N 2.93Š|
| 74 | L | 50.8 | Low | 54.9 | Low | 124 Ų | 124 | 120.3 Ų | 120.3 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -108.2 | 148.1 | 163.8 | -83.1 | 95.2 | 0 | 0 | 0 | 110.4 | T71 H76 | T71-L74 CarbonylContact O-C 3.41Å; T71-L74 WeakPolarHBondContact O-CA 3.4Å; T71-L74 PolarHBondContact O-N 3.31Å; L74-H76 PolarHBondContact O-N 3.22Å |
| 75 | P | 47.4 | Very low | 52.6 | Low | 111 Ų | 111 | 124.7 Ų | 124.7 | 72% | 0.721 | 66% | 0.66 | S | S | * | * | trans | -57.8 | 128 | 172.9 | 23.6 | -31.3 | 0 | 0 | 0 | 109.6 | V77 | P75-V77 PolarHBondContact O-N 3.36Š| ||
| 76 | H | 50.5 | Low | 50.2 | Low | 173 Ų | 173 | 126.7 Ų | 126.7 | 80% | 0.801 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -45.5 | 58.2 | 172.3 | 177.5 | 96.2 | 0 | 0 | 0 | 114.5 | L74 | L74-H76 PolarHBondContact O-N 3.22Š|
| 77 | V | 48.2 | Very low | 48.3 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 71% | 0.709 | 67% | 0.673 | S | S | * | * | trans | -138.4 | 72.1 | -177.4 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | P75 | P75-V77 PolarHBondContact O-N 3.36Š| ||
| 78 | F | 41.6 | Very low | 46.6 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 73% | 0.732 | 69% | 0.69 | S | S | * | * | 176.2 | 80.8 | 127 | -123.1 | -114.6 | 0 | 0 | 0 | 108.6 | E80 | F78-E80 HydrophobicContact CD1-CG 3.56Å; F78-E80 WeakPolarHBondContact CD1-OE2 3.4Å; F78-E80 HydrophobicContact CE1-CG 3.44Å; F78-E80 VanDerWaalsContact CE1-CG 3.44Å; F78-E80 WeakPolarHBondContact CE1-OE2 3.45Å; F78-E80 HydrophobicContact CZ-CG 4.44Å | |||
| 79 | N | 41.8 | Very low | 45.5 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | trans | -103.3 | 82.1 | 156.9 | -165.8 | 38.2 | 0 | 0 | 0 | 106.1 | G81 | N79-G81 PolarHBondContact O-N 3.03Š| ||
| 80 | E | 47.9 | Very low | 44.3 | Very low | 148 Ų | 148 | 136 Ų | 136 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | trans | -48.1 | 123.9 | 167 | -83.9 | 170.3 | 75.8 | 0 | 0 | 109.2 | F78 | F78-E80 HydrophobicContact CD1-CG 3.56Å; F78-E80 WeakPolarHBondContact CD1-OE2 3.4Å; F78-E80 HydrophobicContact CE1-CG 3.44Å; F78-E80 VanDerWaalsContact CE1-CG 3.44Å; F78-E80 WeakPolarHBondContact CE1-OE2 3.45Å; F78-E80 HydrophobicContact CZ-CG 4.44Å | ||
| 81 | G | 41.3 | Very low | 43.3 | Very low | 60 Ų | 60 | 135.4 Ų | 135.4 | 62% | 0.619 | 71% | 0.707 | S | S | * | * | trans | 48.8 | 114 | 156.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N79 G83 | N79-G81 PolarHBondContact O-N 3.03Å; G81-G83 VanDerWaalsContact CA-N 3.26Å; G81-G83 PolarHBondContact O-N 3.35Å | ||
| 82 | R | 43.7 | Very low | 42.6 | Very low | 253 Ų | 253 | 136 Ų | 136 | 96% | 0.955 | 71% | 0.714 | S | S | * | * | -4.7 | 51.2 | 75.8 | -53.6 | -164 | -150.9 | -150.4 | 6.8 | 115.6 | P84 | R82-P84 WeakPolarHBondContact O-CD 3.17Š| |||
| 83 | G | 31.9 | Very low | 42.3 | Very low | 52 Ų | 52 | 136.2 Ų | 136.2 | 54% | 0.536 | 71% | 0.706 | S | S | . | * | trans | -76.8 | 117.3 | 153.4 | 0 | 0 | 0 | 0 | 0 | 105.2 | G81 K85 | G81-G83 VanDerWaalsContact CA-N 3.26Å; G81-G83 PolarHBondContact O-N 3.35Å; G83-K85 PolarHBondContact O-N 3.48Å | ||
| 84 | P | 40.2 | Very low | 41.9 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 70% | 0.699 | S | S | * | * | trans | -54.8 | 113 | 165.3 | 23.5 | -30.2 | 0 | 0 | 0 | 106.2 | R82 Q86 | R82-P84 WeakPolarHBondContact O-CD 3.17Å; P84-Q86 PolarHBondContact O-N 3.46Å; P84-Q86 VanDerWaalsContact O-N 3.1Å | ||
| 85 | K | 36.9 | Very low | 41.7 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 79% | 0.787 | 70% | 0.704 | S | S | * | * | trans | -47 | 126.6 | 165.8 | -89.5 | -176.7 | 164.6 | 161.6 | 0 | 106.4 | G83 | G83-K85 PolarHBondContact O-N 3.48Š| ||
| 86 | Q | 33.6 | Very low | 41.6 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 76% | 0.757 | 70% | 0.697 | S | S | * | * | trans | -52 | 147.6 | -156.9 | -65.5 | 153.9 | -67.3 | 0 | 0 | 112.3 | P84 E88 | P84-Q86 PolarHBondContact O-N 3.46Å; P84-Q86 VanDerWaalsContact O-N 3.1Å; Q86-E88 PolarHBondContact O-N 2.98Å | ||
| 87 | P | 38.9 | Very low | 41.5 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 51% | 0.513 | 69% | 0.692 | S | S | . | * | trans | -71.5 | 64.8 | 179.6 | 30.8 | -35.7 | 0 | 0 | 0 | 112.3 | R89 E90 | P87-R89 PolarHBondContact O-N 2.93Å; P87-E90 HydrophobicContact CB-CB 4.2Å; P87-E90 HydrophobicContact CB-CG 4.01Å; P87-E90 VanDerWaalsContact CB-OE2 3.31Å; P87-E90 WeakPolarHBondContact CB-OE2 3.37Å; P87-E90 PolarHBondContact O-N 3.4Å | ||
| 88 | E | 41.1 | Very low | 41.6 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -65.9 | -20.6 | 161.3 | -81 | -172.3 | 76.4 | 0 | 0 | 111.2 | Q86 E90 L91 | Q86-E88 PolarHBondContact O-N 2.98Å; E88-E90 PolarHBondContact O-N 3.34Å; E88-L91 PolarHBondContact O-N 3.21Å |
| 89 | R | 45.4 | Very low | 41.9 | Very low | 220 Ų | 220 | 137.4 Ų | 137.4 | 83% | 0.83 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -65.7 | -20.1 | 171 | -85.3 | -177.6 | 161.3 | -148.6 | -2.5 | 113.9 | P87 V93 | P87-R89 PolarHBondContact O-N 2.93Å; R89-V93 WeakPolarHBondContact O-CG2 3.11Å; R89-V93 PolarHBondContact O-N 3.3Å |
| 90 | E | 39.4 | Very low | 42.4 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -77.8 | -24.9 | 176.5 | -81 | -173.6 | 73.4 | 0 | 0 | 113.3 | P87 E88 C92 V93 L94 | P87-E90 HydrophobicContact CB-CB 4.2Å; P87-E90 HydrophobicContact CB-CG 4.01Å; P87-E90 VanDerWaalsContact CB-OE2 3.31Å; P87-E90 WeakPolarHBondContact CB-OE2 3.37Å; P87-E90 PolarHBondContact O-N 3.4Å; E88-E90 PolarHBondContact O-N 3.34Å; E90-C92 VanDerWaalsContact C-N 3.34Å; E90-C92 PolarHBondContact O-N 3.01Å; E90-V93 PolarHBondContact O-N 3.48Å; E90-L94 WeakPolarHBondContact O-CB 3.38Å; E90-L94 PolarHBondContact O-N 2.93Å |
| 91 | L | 39.5 | Very low | 42.5 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 69% | 0.686 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.2 | -33.1 | 175 | -91.2 | 153.7 | 0 | 0 | 0 | 112.1 | E88 R95 | E88-L91 PolarHBondContact O-N 3.21Å; L91-R95 WeakPolarHBondContact O-CB 3.43Å; L91-R95 PolarHBondContact O-N 2.98Å; L91-R95 VanDerWaalsContact O-N 3.17Å |
| 92 | C | 34.6 | Very low | 43.2 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 62% | 0.622 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.9 | -37.3 | 173.7 | -97.5 | 0 | 0 | 0 | 0 | 112.9 | E90 R95 A96 | E90-C92 VanDerWaalsContact C-N 3.34Å; E90-C92 PolarHBondContact O-N 3.01Å; C92-R95 PolarHBondContact O-N 3.31Å; C92-A96 PolarHBondContact O-N 3.33Å |
| 93 | V | 43.5 | Very low | 43.7 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -71.9 | -35.2 | 178.3 | 177 | 0 | 0 | 0 | 0 | 111.4 | R89 E90 A96 R97 | R89-V93 WeakPolarHBondContact O-CG2 3.11Å; R89-V93 PolarHBondContact O-N 3.3Å; E90-V93 PolarHBondContact O-N 3.48Å; V93-A96 PolarHBondContact O-N 3.42Å; V93-R97 WeakPolarHBondContact O-CB 3.19Å; V93-R97 PolarHBondContact O-N 3.26Å |
| 94 | L | 42.2 | Very low | 44.9 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 63% | 0.628 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70 | -33.1 | 172.7 | -159.9 | 80.2 | 0 | 0 | 0 | 111.7 | E90 R97 R98 | E90-L94 WeakPolarHBondContact O-CB 3.38Å; E90-L94 PolarHBondContact O-N 2.93Å; L94-R97 PolarHBondContact O-N 3.21Å; L94-R98 WeakPolarHBondContact O-CB 3.3Å; L94-R98 PolarHBondContact O-N 3.46Å |
| 95 | R | 46.9 | Very low | 45.8 | Very low | 201 Ų | 201 | 137.1 Ų | 137.1 | 76% | 0.758 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.5 | -43.1 | 172.6 | -131.7 | 176.6 | -168.7 | 175.4 | 3.4 | 111.8 | L91 C92 R98 D99 | L91-R95 WeakPolarHBondContact O-CB 3.43Å; L91-R95 PolarHBondContact O-N 2.98Å; L91-R95 VanDerWaalsContact O-N 3.17Å; C92-R95 PolarHBondContact O-N 3.31Å; R95-R98 PolarHBondContact O-N 3.49Å; R95-D99 PolarHBondContact O-N 3.3Å |
| 96 | A | 45.3 | Very low | 46.6 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 58% | 0.579 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.8 | -31 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | C92 V93 D99 | C92-A96 PolarHBondContact O-N 3.33Å; V93-A96 PolarHBondContact O-N 3.42Å; A96-D99 PolarHBondContact O-N 3.36Å |
| 97 | R | 48.1 | Very low | 47.4 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.1 | -24.6 | 174.4 | -149.1 | -167.8 | -67.4 | -169.7 | 1.2 | 112.7 | V93 L94 D99 | V93-R97 WeakPolarHBondContact O-CB 3.19Å; V93-R97 PolarHBondContact O-N 3.26Å; L94-R97 PolarHBondContact O-N 3.21Å; R97-D99 VanDerWaalsContact C-N 3.28Å |
| 98 | R | 50.7 | Low | 47.8 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 68% | 0.679 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.7 | -16.2 | 174.3 | -150.8 | 168.2 | 90.5 | 147.2 | 5.3 | 113.3 | L94 R95 L102 | L94-R98 WeakPolarHBondContact O-CB 3.3Å; L94-R98 PolarHBondContact O-N 3.46Å; R95-R98 PolarHBondContact O-N 3.49Å; R98-L102 PolarHBondContact O-N 2.93Å |
| 99 | D | 48.1 | Very low | 48.6 | Very low | 110 Ų | 110 | 140 Ų | 140 | 59% | 0.588 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -76.8 | -34.3 | 174.5 | -152.5 | -103.6 | 0 | 0 | 0 | 111.9 | R95 A96 R97 A101 L102 L103 | R95-D99 PolarHBondContact O-N 3.3Å; A96-D99 PolarHBondContact O-N 3.36Å; R97-D99 VanDerWaalsContact C-N 3.28Å; D99-A101 VanDerWaalsContact C-N 3.32Å; D99-A101 PolarHBondContact O-N 2.7Å; D99-L102 PolarHBondContact O-N 3.41Å; D99-L103 PolarHBondContact O-N 2.99Å |
| 100 | R | 51.8 | Low | 48.8 | Very low | 207 Ų | 207 | 132.6 Ų | 132.6 | 78% | 0.781 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -73.7 | -21.8 | 176.5 | -155.7 | 173.2 | 169.9 | 152.9 | -1.2 | 113.6 | ||
| 101 | A | 50.5 | Low | 49 | Very low | 61 Ų | 61 | 131.1 Ų | 131.1 | 50% | 0.504 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -82.8 | -31.6 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | D99 L103 L104 L105 | D99-A101 VanDerWaalsContact C-N 3.32Å; D99-A101 PolarHBondContact O-N 2.7Å; A101-L103 VanDerWaalsContact C-N 3.34Å; A101-L104 PolarHBondContact O-N 3.11Å; A101-L105 PolarHBondContact O-N 2.83Å |
| 102 | L | 54.1 | Low | 49.3 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 49% | 0.492 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -69.3 | -31.3 | 171 | -101.6 | 157 | 0 | 0 | 0 | 112.3 | R98 D99 L104 L105 L106 | R98-L102 PolarHBondContact O-N 2.93Å; D99-L102 PolarHBondContact O-N 3.41Å; L102-L104 PolarHBondContact O-N 3.21Å; L102-L105 CarbonylContact O-C 3.57Å; L102-L105 PolarHBondContact O-N 2.99Å; L102-L106 PolarHBondContact O-N 3.09Å |
| 103 | L | 55.7 | Low | 50.1 | Low | 125 Ų | 125 | 129.7 Ų | 129.7 | 65% | 0.654 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -62.9 | -27.5 | 172.9 | -161.7 | 74.1 | 0 | 0 | 0 | 112.8 | D99 A101 | D99-L103 PolarHBondContact O-N 2.99Å; A101-L103 VanDerWaalsContact C-N 3.34Å |
| 104 | L | 57.2 | Low | 50.4 | Low | 139 Ų | 139 | 130.5 Ų | 130.5 | 73% | 0.728 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -83.8 | -19.4 | 172.5 | -101.2 | 144.5 | 0 | 0 | 0 | 113.2 | A101 L102 | A101-L104 PolarHBondContact O-N 3.11Å; L102-L104 PolarHBondContact O-N 3.21Å |
| 105 | L | 58.7 | Low | 50.8 | Low | 147 Ų | 147 | 129.5 Ų | 129.5 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -86.3 | -15.4 | 172.6 | -139.5 | 90.3 | 0 | 0 | 0 | 112.9 | A101 L102 L107 | A101-L105 PolarHBondContact O-N 2.83Å; L102-L105 CarbonylContact O-C 3.57Å; L102-L105 PolarHBondContact O-N 2.99Å; L105-L107 VanDerWaalsContact C-N 3.32Å |
| 106 | L | 54.1 | Low | 51 | Low | 148 Ų | 148 | 132.2 Ų | 132.2 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 24.6 | 168.9 | -157.3 | 73.7 | 0 | 0 | 0 | 112 | L102 | L102-L106 PolarHBondContact O-N 3.09Š|
| 107 | L | 50.8 | Low | 51.1 | Low | 124 Ų | 124 | 132.4 Ų | 132.4 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -74.4 | 124.9 | 160.3 | -162 | 73.5 | 0 | 0 | 0 | 107.2 | L105 R109 | L105-L107 VanDerWaalsContact C-N 3.32Å; L107-R109 PolarHBondContact O-N 3.13Å |
| 108 | P | 46.6 | Very low | 51.3 | Low | 118 Ų | 118 | 128.9 Ų | 128.9 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | -63 | 100.8 | -179 | 25.6 | -33.2 | 0 | 0 | 0 | 109.5 | G110 | P108-G110 VanDerWaalsContact C-N 3.32Å; P108-G110 PolarHBondContact O-N 3.33Å | ||
| 109 | R | 58.4 | Low | 51.3 | Low | 252 Ų | 252 | 132.2 Ų | 132.2 | 95% | 0.951 | 76% | 0.762 | S | S | * | * | trans | -69.1 | 94.6 | 163.5 | -81.6 | -178.3 | 72.1 | 140.6 | -0.6 | 107.9 | L107 | L107-R109 PolarHBondContact O-N 3.13Š| ||
| 110 | G | 49.1 | Very low | 51.4 | Low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | trans | 90.7 | 94.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | P108 A112 | P108-G110 VanDerWaalsContact C-N 3.32Å; P108-G110 PolarHBondContact O-N 3.33Å; G110-A112 VanDerWaalsContact C-N 3.34Å | ||
| 111 | A | 43.3 | Very low | 51.9 | Low | 105 Ų | 105 | 126.8 Ų | 126.8 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -87.7 | 85.4 | 135.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 112 | A | 46.1 | Very low | 51.7 | Low | 84 Ų | 84 | 132.4 Ų | 132.4 | 69% | 0.694 | 82% | 0.818 | S | S | * | * | 60.3 | 83.8 | 93.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G110 A114 | G110-A112 VanDerWaalsContact C-N 3.34Å; A112-A114 PolarHBondContact O-N 2.9Å; A112-A114 VanDerWaalsContact O-N 3.13Å | |||
| 113 | A | 50.7 | Low | 51.5 | Low | 109 Ų | 109 | 134.3 Ų | 134.3 | 90% | 0.901 | 83% | 0.834 | S | S | * | * | trans | -51.9 | 110.8 | 160 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 114 | A | 50.3 | Low | 51.3 | Low | 100 Ų | 100 | 134.8 Ų | 134.8 | 83% | 0.826 | 84% | 0.844 | S | S | * | * | trans | -121 | 83.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | A112 | A112-A114 PolarHBondContact O-N 2.9Å; A112-A114 VanDerWaalsContact O-N 3.13Å | ||
| 115 | A | 51.3 | Low | 51 | Low | 98 Ų | 98 | 134.6 Ų | 134.6 | 81% | 0.81 | 85% | 0.85 | S | S | * | * | trans | -158.3 | 65.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 116 | R | 49.6 | Very low | 50.5 | Low | 258 Ų | 258 | 133.8 Ų | 133.8 | 97% | 0.974 | 86% | 0.855 | S | S | * | * | trans | -159.5 | 112.4 | 158.5 | -119.4 | 177.6 | 174.8 | -161.7 | -2.3 | 109.8 | ||||
| 117 | G | 47.3 | Very low | 50.3 | Low | 75 Ų | 75 | 132.9 Ų | 132.9 | 77% | 0.773 | 86% | 0.86 | S | S | * | * | trans | 166.2 | 36.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | R119 | G117-R119 VanDerWaalsContact C-N 3.29Å; G117-R119 PolarHBondContact O-N 3.31Å | ||
| 118 | A | 52.4 | Low | 50.3 | Low | 108 Ų | 108 | 133.5 Ų | 133.5 | 89% | 0.893 | 87% | 0.874 | S | S | * | * | trans | -68.4 | 92 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 119 | R | 51.3 | Low | 50.6 | Low | 250 Ų | 250 | 134.6 Ų | 134.6 | 94% | 0.943 | 88% | 0.881 | S | S | * | * | trans | -67.2 | 128 | 147.8 | -91.2 | 179.3 | 161.1 | -163.1 | -4.6 | 105.1 | G117 | G117-R119 VanDerWaalsContact C-N 3.29Å; G117-R119 PolarHBondContact O-N 3.31Å | ||
| 120 | G | 50.3 | Low | 50 | Low | 65 Ų | 65 | 125.6 Ų | 125.6 | 67% | 0.67 | 88% | 0.876 | S | S | * | * | cis | 115.2 | 139.5 | 39.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 121 | P | 61.8 | Low | 50 | Low | 138 Ų | 138 | 130.7 Ų | 130.7 | 90% | 0.896 | 89% | 0.893 | S | S | * | * | trans | -85.5 | 154.4 | -157.8 | 35.4 | -36.9 | 0 | 0 | 0 | 114.4 | ||||
| 122 | A | 45.8 | Very low | 50.6 | Low | 178 Ų | 178 | 133 Ų | 133 | 100% | 1.471 | 90% | 0.896 | S | S | * | * | trans | -167.2 | 0 | 141.8 | 0 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 122 of 122 residues in 64.5 ms
(Link to these results)