| 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 | L | 33.6 | Very low | 38.5 | Very low | 232 Ų | 232 | 159.8 Ų | 159.8 | 100% | 1.215 | 84% | 0.838 | S | S | * | * | 0 | 111.7 | 0 | -92.1 | 139.9 | 0 | 0 | 0 | 108.1 | |||||
| 2 | F | 41.8 | Very low | 38.4 | Very low | 211 Ų | 211 | 152.9 Ų | 152.9 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -74.8 | 132.1 | 168.8 | -112.1 | -94.2 | 0 | 0 | 0 | 108.6 | ||||
| 3 | C | 36.1 | Very low | 38.5 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 76% | 0.757 | 83% | 0.833 | S | S | * | * | trans | -175.5 | 108.6 | 144.8 | -115.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 4 | C | 42.1 | Very low | 38.7 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 71% | 0.709 | 83% | 0.83 | S | S | * | * | 77.3 | 118.5 | 96 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 5 | L | 38.5 | Very low | 38.7 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | 177.9 | 99.1 | 122.3 | -86.6 | 158.2 | 0 | 0 | 0 | 106.6 | Y7 | L5-Y7 HydrophobicContact CD2-CD2 4.43Å; L5-Y7 HydrophobicContact CD2-CE2 3.6Å | |||
| 6 | G | 46.5 | Very low | 39.7 | Very low | 67 Ų | 67 | 145.9 Ų | 145.9 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | trans | -87.3 | 136.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 7 | Y | 33 | Very low | 40 | Very low | 186 Ų | 186 | 150 Ų | 150 | 73% | 0.729 | 82% | 0.821 | S | S | * | * | trans | -153.7 | 108 | 154.9 | -67.8 | -78 | 0 | 0 | 0 | 104.8 | L5 | L5-Y7 HydrophobicContact CD2-CD2 4.43Å; L5-Y7 HydrophobicContact CD2-CE2 3.6Å | ||
| 8 | E | 38.2 | Very low | 40.3 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | 96.1 | 124.8 | 98.7 | -88.7 | -172.7 | 129.2 | 0 | 0 | 113 | |||||
| 9 | W | 44.9 | Very low | 40.8 | Very low | 238 Ų | 238 | 146.3 Ų | 146.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -29.8 | 141.3 | 161.4 | -67 | 77.1 | 0 | 0 | 0 | 115.5 | ||||
| 10 | L | 34.2 | Very low | 41.4 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | 161.9 | 153.6 | 117.1 | -88.3 | 158.6 | 0 | 0 | 0 | 111.2 | |||||
| 11 | S | 34.8 | Very low | 41.5 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 70.3 | 111.9 | 168.2 | -101.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 12 | G | 37.2 | Very low | 42.4 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | 89.1 | 100.1 | 60.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 13 | G | 39.1 | Very low | 43 | Very low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 73% | 0.728 | S | S | * | * | trans | 99.6 | 120.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 14 | C | 42 | Very low | 43.7 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | 80.8 | 96.4 | 147.7 | -152.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 15 | K | 38 | Very low | 44 | Very low | 192 Ų | 192 | 129.7 Ų | 129.7 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | -173.8 | 64.4 | 126.1 | -97.2 | 158.6 | -174.2 | 173 | 0 | 110.6 | W17 | K15-W17 PolarHBondContact O-N 2.99Š| |||
| 16 | T | 54.9 | Low | 44.4 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | trans | -85.6 | 70.7 | 169.9 | 47.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 17 | W | 44.3 | Very low | 44.6 | Very low | 215 Ų | 215 | 127.2 Ų | 127.2 | 81% | 0.814 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -149.1 | -35.2 | 166.9 | -73.2 | 100 | 0 | 0 | 0 | 113.2 | K15 | K15-W17 PolarHBondContact O-N 2.99Š|
| 18 | H | 46.1 | Very low | 45.2 | Very low | 155 Ų | 155 | 123.6 Ų | 123.6 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80 | -33.2 | -174.2 | -124.4 | -78.8 | 0 | 0 | 0 | 114.2 | V22 | H18-V22 WeakPolarHBondContact O-CG2 3.4Å; H18-V22 PolarHBondContact O-N 3.14Å |
| 19 | S | 49.9 | Very low | 45.7 | Very low | 75 Ų | 75 | 121.8 Ų | 121.8 | 52% | 0.524 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -77.8 | -30.4 | 179.1 | 40.3 | 0 | 0 | 0 | 0 | 113 | I23 | S19-I23 WeakPolarHBondContact O-CB 3.32Å; S19-I23 WeakPolarHBondContact O-CD1 3.4Å; S19-I23 WeakPolarHBondContact O-CG1 3.42Å; S19-I23 PolarHBondContact O-N 3.31Å; S19-I23 VanDerWaalsContact O-N 3.09Å |
| 20 | A | 51.8 | Low | 45.8 | Very low | 52 Ų | 52 | 118 Ų | 118 | 43% | 0.43 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69.4 | -36.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | I23 N24 | A20-I23 PolarHBondContact O-N 2.96Å; A20-N24 WeakPolarHBondContact O-CB 3.37Å; A20-N24 PolarHBondContact O-N 3.4Å |
| 21 | W | 45.2 | Very low | 46.3 | Very low | 185 Ų | 185 | 118.4 Ų | 118.4 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66 | -43.1 | 177.1 | -155.7 | 63.9 | 0 | 0 | 0 | 111.3 | I23 N24 T25 | W21-I23 PolarHBondContact O-N 3.43Å; W21-N24 PolarHBondContact O-N 3.26Å; W21-T25 WeakPolarHBondContact O-CB 3.19Å; W21-T25 PolarHBondContact O-N 2.88Å; W21-T25 PolarHBondContact O-OG1 3.46Å |
| 22 | V | 52.5 | Low | 47 | Very low | 88 Ų | 88 | 122.8 Ų | 122.8 | 53% | 0.533 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -66 | -39.6 | 177.1 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | H18 L26 | H18-V22 WeakPolarHBondContact O-CG2 3.4Å; H18-V22 PolarHBondContact O-N 3.14Å; V22-L26 VanDerWaalsContact O-CB 3.28Å; V22-L26 WeakPolarHBondContact O-CB 3.01Å; V22-L26 PolarHBondContact O-N 2.81Å |
| 23 | I | 53.3 | Low | 47.4 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 58% | 0.579 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70 | -40.4 | 177.8 | -64.7 | 165.8 | 0 | 0 | 0 | 111.3 | S19 A20 W21 L26 A27 | S19-I23 WeakPolarHBondContact O-CB 3.32Å; S19-I23 WeakPolarHBondContact O-CD1 3.4Å; S19-I23 WeakPolarHBondContact O-CG1 3.42Å; S19-I23 PolarHBondContact O-N 3.31Å; S19-I23 VanDerWaalsContact O-N 3.09Å; A20-I23 PolarHBondContact O-N 2.96Å; W21-I23 PolarHBondContact O-N 3.43Å; I23-L26 PolarHBondContact O-N 3.48Å; I23-A27 VanDerWaalsContact O-CB 3.29Å; I23-A27 WeakPolarHBondContact O-CB 2.98Å; I23-A27 PolarHBondContact O-N 2.98Å |
| 24 | N | 50.8 | Low | 47.8 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 60% | 0.599 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.2 | -37 | 175.8 | -82.5 | -13.8 | 0 | 0 | 0 | 112.2 | A20 W21 L26 A27 D28 | A20-N24 WeakPolarHBondContact O-CB 3.37Å; A20-N24 PolarHBondContact O-N 3.4Å; W21-N24 PolarHBondContact O-N 3.26Å; N24-L26 VanDerWaalsContact C-N 3.31Å; N24-L26 PolarHBondContact O-N 3.08Å; N24-A27 PolarHBondContact O-N 3.09Å; N24-D28 WeakPolarHBondContact O-CB 3.5Å; N24-D28 PolarHBondContact O-N 3.31Å |
| 25 | T | 49.3 | Very low | 48.1 | Very low | 54 Ų | 54 | 125.5 Ų | 125.5 | 33% | 0.331 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.6 | -35.8 | 176.6 | -43 | 0 | 0 | 0 | 0 | 110.9 | W21 H29 | W21-T25 WeakPolarHBondContact O-CB 3.19Å; W21-T25 PolarHBondContact O-N 2.88Å; W21-T25 PolarHBondContact O-OG1 3.46Å; T25-H29 WeakPolarHBondContact O-CB 3.48Å; T25-H29 PolarHBondContact O-N 2.9Å; T25-H29 VanDerWaalsContact O-N 3.15Å; T25-H29 PolarHBondContact O-ND1 3.35Å |
| 26 | L | 46.3 | Very low | 48.4 | Very low | 113 Ų | 113 | 124 Ų | 124 | 59% | 0.592 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.3 | -37.9 | 175.3 | -167.2 | 71.5 | 0 | 0 | 0 | 112.5 | V22 I23 N24 H29 H30 | V22-L26 VanDerWaalsContact O-CB 3.28Å; V22-L26 WeakPolarHBondContact O-CB 3.01Å; V22-L26 PolarHBondContact O-N 2.81Å; I23-L26 PolarHBondContact O-N 3.48Å; N24-L26 VanDerWaalsContact C-N 3.31Å; N24-L26 PolarHBondContact O-N 3.08Å; L26-H29 PolarHBondContact O-N 3.33Å; L26-H30 PolarHBondContact O-CD2 2.88Å; L26-H30 PolarHBondContact O-N 2.97Å |
| 27 | A | 49.9 | Very low | 48.3 | Very low | 53 Ų | 53 | 122.6 Ų | 122.6 | 44% | 0.438 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -70.2 | -36.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I23 N24 H29 H30 | I23-A27 VanDerWaalsContact O-CB 3.29Å; I23-A27 WeakPolarHBondContact O-CB 2.98Å; I23-A27 PolarHBondContact O-N 2.98Å; N24-A27 PolarHBondContact O-N 3.09Å; A27-H29 VanDerWaalsContact C-N 3.29Å; A27-H29 PolarHBondContact O-N 3.36Å; A27-H30 PolarHBondContact O-N 3.43Å |
| 28 | D | 46 | Very low | 48.6 | Very low | 110 Ų | 110 | 115.5 Ų | 115.5 | 59% | 0.588 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.9 | -30.3 | 176.5 | -162.2 | 63.7 | 0 | 0 | 0 | 111.7 | N24 | N24-D28 WeakPolarHBondContact O-CB 3.5Å; N24-D28 PolarHBondContact O-N 3.31Å |
| 29 | H | 48.4 | Very low | 49.1 | Very low | 134 Ų | 134 | 111 Ų | 111 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -78.8 | -19 | 174.3 | -78 | 39.2 | 0 | 0 | 0 | 114.3 | T25 L26 A27 | T25-H29 WeakPolarHBondContact O-CB 3.48Å; T25-H29 PolarHBondContact O-N 2.9Å; T25-H29 VanDerWaalsContact O-N 3.15Å; T25-H29 PolarHBondContact O-ND1 3.35Å; L26-H29 PolarHBondContact O-N 3.33Å; A27-H29 VanDerWaalsContact C-N 3.29Å; A27-H29 PolarHBondContact O-N 3.36Å |
| 30 | H | 47.9 | Very low | 49.7 | Very low | 159 Ų | 159 | 112.1 Ų | 112.1 | 74% | 0.736 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -87.6 | -7.5 | 177.4 | -95.2 | -74.3 | 0 | 0 | 0 | 114.1 | L26 A27 | L26-H30 PolarHBondContact O-CD2 2.88Å; L26-H30 PolarHBondContact O-N 2.97Å; A27-H30 PolarHBondContact O-N 3.43Å |
| 31 | H | 43.7 | Very low | 49.9 | Very low | 172 Ų | 172 | 118.9 Ų | 118.9 | 80% | 0.796 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -103 | -0.4 | 178 | -107.3 | -61.5 | 0 | 0 | 0 | 115.2 | ||
| 32 | R | 50.7 | Low | 50.8 | Low | 212 Ų | 212 | 112.5 Ų | 112.5 | 80% | 0.8 | 62% | 0.623 | S | S | * | * | trans | -106.3 | 78 | -175.9 | -146.6 | 172.4 | 177.1 | -176.5 | -2.1 | 111 | ||||
| 33 | G | 44.5 | Very low | 51.3 | Low | 64 Ų | 64 | 115.5 Ų | 115.5 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | trans | -176.6 | 24.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 34 | T | 47.6 | Very low | 51.8 | Low | 128 Ų | 128 | 114.2 Ų | 114.2 | 79% | 0.785 | 63% | 0.628 | S | S | * | * | trans | -128.7 | 31.9 | 160.6 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | F36 | T34-F36 PolarHBondContact O-N 3.49Å; T34-F36 VanDerWaalsContact O-N 3.08Å | ||
| 35 | D | 47.8 | Very low | 52.4 | Low | 138 Ų | 138 | 113.5 Ų | 113.5 | 74% | 0.738 | 62% | 0.623 | S | S | * | * | trans | -85.9 | 46.9 | 172.9 | -62.8 | -35.3 | 0 | 0 | 0 | 111.9 | ||||
| 36 | F | 45.8 | Very low | 53 | Low | 161 Ų | 161 | 116.5 Ų | 116.5 | 71% | 0.706 | 64% | 0.636 | S | S | * | * | trans | -89.9 | 14.1 | 160.2 | -87.7 | -62.9 | 0 | 0 | 0 | 111.4 | T34 G38 L42 | T34-F36 PolarHBondContact O-N 3.49Å; T34-F36 VanDerWaalsContact O-N 3.08Å; F36-G38 PolarHBondContact O-N 3.48Å; F36-G38 VanDerWaalsContact O-N 3.09Å; F36-L42 HydrophobicContact CB-CD1 3.46Å; F36-L42 VanDerWaalsContact CB-CD1 3.46Å; F36-L42 HydrophobicContact CD1-CD1 3.4Å; F36-L42 HydrophobicContact CE1-CD1 4.36Å; F36-L42 HydrophobicContact CG-CD1 3.68Å; F36-L42 WeakPolarHBondContact O-CD1 3.18Å | ||
| 37 | G | 51.6 | Low | 53.6 | Low | 81 Ų | 81 | 113.4 Ų | 113.4 | 84% | 0.835 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 47.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 38 | G | 51.8 | Low | 54 | Low | 66 Ų | 66 | 118 Ų | 118 | 68% | 0.68 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169 | -7.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | F36 P40 | F36-G38 PolarHBondContact O-N 3.48Å; F36-G38 VanDerWaalsContact O-N 3.09Å; G38-P40 VanDerWaalsContact O-CD 3.32Å; G38-P40 WeakPolarHBondContact O-CD 2.83Å |
| 39 | S | 57 | Low | 54.9 | Low | 61 Ų | 61 | 115 Ų | 115 | 43% | 0.427 | 62% | 0.624 | S | S | . | * | trans | -85.4 | 118 | 176.6 | -89.4 | 0 | 0 | 0 | 0 | 111.3 | W41 L42 | S39-W41 PolarHBondContact O-N 3.46Å; S39-L42 PolarHBondContact O-N 3.08Å | ||
| 40 | P | 62.2 | Low | 55.6 | Low | 98 Ų | 98 | 112.6 Ų | 112.6 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -52.6 | -28.5 | 174.6 | -25.8 | 34.9 | 0 | 0 | 0 | 112.7 | G38 L42 H43 V44 | G38-P40 VanDerWaalsContact O-CD 3.32Å; G38-P40 WeakPolarHBondContact O-CD 2.83Å; P40-L42 PolarHBondContact O-N 3.37Å; P40-H43 PolarHBondContact O-N 2.88Å; P40-V44 WeakPolarHBondContact O-CG2 3.41Å; P40-V44 PolarHBondContact O-N 3.39Å; P40-V44 VanDerWaalsContact O-N 3.14Å |
| 41 | W | 56 | Low | 56.6 | Low | 194 Ų | 194 | 108.3 Ų | 108.3 | 74% | 0.735 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.3 | -32.3 | 177.2 | -88.9 | 75.1 | 0 | 0 | 0 | 114.8 | S39 V44 I45 | S39-W41 PolarHBondContact O-N 3.46Å; W41-V44 WeakPolarHBondContact O-CB 3.04Å; W41-V44 PolarHBondContact O-N 2.93Å; W41-I45 WeakPolarHBondContact O-CD1 3.39Å; W41-I45 WeakPolarHBondContact O-CG1 3.22Å; W41-I45 PolarHBondContact O-N 3.44Å |
| 42 | L | 63.9 | Low | 58.1 | Low | 52 Ų | 52 | 105.2 Ų | 105.2 | 27% | 0.272 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -74.4 | -36.2 | 178 | -76.8 | 172.1 | 0 | 0 | 0 | 112.4 | F36 S39 P40 V44 I45 I46 | F36-L42 HydrophobicContact CB-CD1 3.46Å; F36-L42 VanDerWaalsContact CB-CD1 3.46Å; F36-L42 HydrophobicContact CD1-CD1 3.4Å; F36-L42 HydrophobicContact CE1-CD1 4.36Å; F36-L42 HydrophobicContact CG-CD1 3.68Å; F36-L42 WeakPolarHBondContact O-CD1 3.18Å; S39-L42 PolarHBondContact O-N 3.08Å; P40-L42 PolarHBondContact O-N 3.37Å; L42-V44 VanDerWaalsContact C-N 3.27Å; L42-V44 PolarHBondContact O-N 3.22Å; L42-I45 HydrophobicContact CD2-CD1 4.41Å; L42-I45 PolarHBondContact O-N 2.58Å; L42-I46 WeakPolarHBondContact O-CG1 3.19Å; L42-I46 PolarHBondContact O-N 3.04Å |
| 43 | H | 62.2 | Low | 59.4 | Low | 151 Ų | 151 | 101 Ų | 101 | 70% | 0.699 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.2 | -41.1 | 168.9 | -84.6 | -88.9 | 0 | 0 | 0 | 110.9 | P40 I46 A47 | P40-H43 PolarHBondContact O-N 2.88Å; H43-I46 PolarHBondContact O-N 2.83Å; H43-A47 WeakPolarHBondContact O-CA 3.35Å; H43-A47 WeakPolarHBondContact O-CB 3.32Å; H43-A47 PolarHBondContact O-N 3.09Å |
| 44 | V | 63.7 | Low | 60.9 | Low | 85 Ų | 85 | 101.8 Ų | 101.8 | 52% | 0.515 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.2 | -45.9 | 174.2 | 176.2 | 0 | 0 | 0 | 0 | 111 | P40 W41 L42 I46 F48 | P40-V44 WeakPolarHBondContact O-CG2 3.41Å; P40-V44 PolarHBondContact O-N 3.39Å; P40-V44 VanDerWaalsContact O-N 3.14Å; W41-V44 WeakPolarHBondContact O-CB 3.04Å; W41-V44 PolarHBondContact O-N 2.93Å; L42-V44 VanDerWaalsContact C-N 3.27Å; L42-V44 PolarHBondContact O-N 3.22Å; V44-I46 VanDerWaalsContact C-N 3.32Å; V44-I46 PolarHBondContact O-N 3.42Å; V44-F48 WeakPolarHBondContact O-CB 3.37Å; V44-F48 PolarHBondContact O-N 3.5Å |
| 45 | I | 63.4 | Low | 62.4 | Low | 97 Ų | 97 | 100.1 Ų | 100.1 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.2 | -29.3 | -178.7 | -67.2 | 160.5 | 0 | 0 | 0 | 112.9 | W41 L42 P49 | W41-I45 WeakPolarHBondContact O-CD1 3.39Å; W41-I45 WeakPolarHBondContact O-CG1 3.22Å; W41-I45 PolarHBondContact O-N 3.44Å; L42-I45 HydrophobicContact CD2-CD1 4.41Å; L42-I45 PolarHBondContact O-N 2.58Å; I45-P49 WeakPolarHBondContact O-CD 3.33Å; I45-P49 WeakPolarHBondContact O-CG 3.39Å |
| 46 | I | 62.6 | Low | 64.1 | Low | 117 Ų | 117 | 97.5 Ų | 97.5 | 60% | 0.6 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -91.6 | -38.8 | 178.7 | -62.5 | 168.9 | 0 | 0 | 0 | 111.9 | L42 H43 V44 P49 T50 | L42-I46 WeakPolarHBondContact O-CG1 3.19Å; L42-I46 PolarHBondContact O-N 3.04Å; H43-I46 PolarHBondContact O-N 2.83Å; V44-I46 VanDerWaalsContact C-N 3.32Å; V44-I46 PolarHBondContact O-N 3.42Å; I46-P49 WeakPolarHBondContact O-CD 3.47Å; I46-T50 PolarHBondContact O-OG1 2.83Å; I46-T50 VanDerWaalsContact O-OG1 3.08Å |
| 47 | A | 59.3 | Low | 65.8 | Low | 48 Ų | 48 | 93.8 Ų | 93.8 | 40% | 0.397 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.5 | -39 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H43 T50 S51 | H43-A47 WeakPolarHBondContact O-CA 3.35Å; H43-A47 WeakPolarHBondContact O-CB 3.32Å; H43-A47 PolarHBondContact O-N 3.09Å; A47-T50 PolarHBondContact O-N 3.01Å; A47-T50 VanDerWaalsContact O-N 3.09Å; A47-S51 WeakPolarHBondContact O-CB 3.14Å; A47-S51 PolarHBondContact O-N 3.05Å; A47-S51 PolarHBondContact O-OG 3.24Å |
| 48 | F | 58.9 | Low | 67.2 | Low | 149 Ų | 149 | 95.3 Ų | 95.3 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.1 | -41.3 | -178.4 | -167.1 | -90.9 | 0 | 0 | 0 | 112.6 | V44 T50 Y52 | V44-F48 WeakPolarHBondContact O-CB 3.37Å; V44-F48 PolarHBondContact O-N 3.5Å; F48-T50 VanDerWaalsContact C-N 3.33Å; F48-T50 PolarHBondContact O-N 3.46Å; F48-Y52 WeakPolarHBondContact O-CD1 3.25Å; F48-Y52 PolarHBondContact O-N 3.3Å |
| 49 | P | 63.8 | Low | 68.8 | Low | 47 Ų | 47 | 100.2 Ų | 100.2 | 31% | 0.305 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 171.5 | -29.9 | 36.1 | 0 | 0 | 0 | 115.5 | I45 I46 Y52 K53 | I45-P49 WeakPolarHBondContact O-CD 3.33Å; I45-P49 WeakPolarHBondContact O-CG 3.39Å; I46-P49 WeakPolarHBondContact O-CD 3.47Å; P49-Y52 HydrophobicContact CB-CD1 4.28Å; P49-Y52 HydrophobicContact CB-CE1 3.78Å; P49-Y52 WeakPolarHBondContact O-CD1 3.37Å; P49-Y52 WeakPolarHBondContact O-CE1 3.37Å; P49-K53 VanDerWaalsContact O-CG 3.32Å; P49-K53 WeakPolarHBondContact O-CG 3.5Å; P49-K53 PolarHBondContact O-N 2.82Å |
| 50 | T | 62.4 | Low | 70.3 | Confident | 85 Ų | 85 | 101.5 Ų | 101.5 | 52% | 0.521 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.9 | -43.8 | -176.3 | -53 | 0 | 0 | 0 | 0 | 109.8 | I46 A47 F48 K53 V54 | I46-T50 PolarHBondContact O-OG1 2.83Å; I46-T50 VanDerWaalsContact O-OG1 3.08Å; A47-T50 PolarHBondContact O-N 3.01Å; A47-T50 VanDerWaalsContact O-N 3.09Å; F48-T50 VanDerWaalsContact C-N 3.33Å; F48-T50 PolarHBondContact O-N 3.46Å; T50-K53 PolarHBondContact O-N 3.22Å; T50-V54 WeakPolarHBondContact O-CG2 3.35Å; T50-V54 PolarHBondContact O-N 3.48Å; T50-V54 VanDerWaalsContact O-N 3.09Å |
| 51 | S | 69 | Low | 71.6 | Confident | 68 Ų | 68 | 100.7 Ų | 100.7 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 176.5 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | A47 K53 V54 V55 | A47-S51 WeakPolarHBondContact O-CB 3.14Å; A47-S51 PolarHBondContact O-N 3.05Å; A47-S51 PolarHBondContact O-OG 3.24Å; S51-K53 VanDerWaalsContact C-N 3.29Å; S51-K53 PolarHBondContact O-N 3.27Å; S51-V54 PolarHBondContact O-N 3.15Å; S51-V55 WeakPolarHBondContact O-CG2 3.31Å; S51-V55 PolarHBondContact O-N 3.23Å |
| 52 | Y | 76.9 | Confident | 73 | Confident | 108 Ų | 108 | 99.2 Ų | 99.2 | 42% | 0.424 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 178.5 | 86.6 | -114.4 | 0 | 0 | 0 | 111.2 | F48 P49 V54 V55 I56 | F48-Y52 WeakPolarHBondContact O-CD1 3.25Å; F48-Y52 PolarHBondContact O-N 3.3Å; P49-Y52 HydrophobicContact CB-CD1 4.28Å; P49-Y52 HydrophobicContact CB-CE1 3.78Å; P49-Y52 WeakPolarHBondContact O-CD1 3.37Å; P49-Y52 WeakPolarHBondContact O-CE1 3.37Å; Y52-V54 VanDerWaalsContact C-N 3.33Å; Y52-V54 PolarHBondContact O-N 3.46Å; Y52-V55 PolarHBondContact O-N 3.5Å; Y52-I56 HydrophobicContact CD2-CD1 3.67Å; Y52-I56 HydrophobicContact CE2-CD1 4.26Å; Y52-I56 WeakPolarHBondContact O-CB 3.33Å; Y52-I56 VanDerWaalsContact O-CG1 3.22Å; Y52-I56 WeakPolarHBondContact O-CG1 3.27Å; Y52-I56 PolarHBondContact O-N 2.95Å |
| 53 | K | 77.3 | Confident | 74.1 | Confident | 124 Ų | 124 | 101.4 Ų | 101.4 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 178 | -75.9 | -178.9 | -179.7 | 176.3 | 0 | 111.2 | P49 T50 S51 T57 | P49-K53 VanDerWaalsContact O-CG 3.32Å; P49-K53 WeakPolarHBondContact O-CG 3.5Å; P49-K53 PolarHBondContact O-N 2.82Å; T50-K53 PolarHBondContact O-N 3.22Å; S51-K53 VanDerWaalsContact C-N 3.29Å; S51-K53 PolarHBondContact O-N 3.27Å; K53-T57 VanDerWaalsContact O-CB 3.28Å; K53-T57 WeakPolarHBondContact O-CB 3.45Å; K53-T57 PolarHBondContact O-N 3.32Å; K53-T57 PolarHBondContact O-OG1 3.33Å |
| 54 | V | 76 | Confident | 75.3 | Confident | 79 Ų | 79 | 102.3 Ų | 102.3 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 176.2 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | T50 S51 Y52 I56 T57 L58 | T50-V54 WeakPolarHBondContact O-CG2 3.35Å; T50-V54 PolarHBondContact O-N 3.48Å; T50-V54 VanDerWaalsContact O-N 3.09Å; S51-V54 PolarHBondContact O-N 3.15Å; Y52-V54 VanDerWaalsContact C-N 3.33Å; Y52-V54 PolarHBondContact O-N 3.46Å; V54-I56 PolarHBondContact O-N 3.25Å; V54-T57 PolarHBondContact O-N 2.93Å; V54-L58 HydrophobicContact CG1-CD1 3.81Å; V54-L58 HydrophobicContact CG1-CG 4.35Å; V54-L58 WeakPolarHBondContact O-CB 3.42Å; V54-L58 VanDerWaalsContact O-CG 3.3Å; V54-L58 WeakPolarHBondContact O-CG 3.28Å; V54-L58 PolarHBondContact O-N 3.32Å |
| 55 | V | 79 | Confident | 76.3 | Confident | 94 Ų | 94 | 102.2 Ų | 102.2 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.2 | -45.5 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | S51 Y52 T57 L58 W59 | S51-V55 WeakPolarHBondContact O-CG2 3.31Å; S51-V55 PolarHBondContact O-N 3.23Å; Y52-V55 PolarHBondContact O-N 3.5Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 2.84Å; V55-L58 PolarHBondContact O-N 3.05Å; V55-W59 WeakPolarHBondContact O-CB 3.33Å; V55-W59 PolarHBondContact O-N 2.66Å |
| 56 | I | 83 | Confident | 77.1 | Confident | 83 Ų | 83 | 99.7 Ų | 99.7 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 176.7 | -69.2 | 176 | 0 | 0 | 0 | 110.6 | Y52 V54 W59 I60 | Y52-I56 HydrophobicContact CD2-CD1 3.67Å; Y52-I56 HydrophobicContact CE2-CD1 4.26Å; Y52-I56 WeakPolarHBondContact O-CB 3.33Å; Y52-I56 VanDerWaalsContact O-CG1 3.22Å; Y52-I56 WeakPolarHBondContact O-CG1 3.27Å; Y52-I56 PolarHBondContact O-N 2.95Å; V54-I56 PolarHBondContact O-N 3.25Å; I56-W59 PolarHBondContact O-N 2.96Å; I56-I60 HydrophobicContact CG2-CD1 3.74Å; I56-I60 HydrophobicContact CG2-CG1 4.4Å; I56-I60 VanDerWaalsContact O-CG1 3.25Å; I56-I60 WeakPolarHBondContact O-CG1 3.42Å; I56-I60 PolarHBondContact O-N 2.89Å |
| 57 | T | 80.9 | Confident | 78 | Confident | 83 Ų | 83 | 98.6 Ų | 98.6 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 179.8 | -55.6 | 0 | 0 | 0 | 0 | 111 | K53 V54 V55 W59 I60 V61 | K53-T57 VanDerWaalsContact O-CB 3.28Å; K53-T57 WeakPolarHBondContact O-CB 3.45Å; K53-T57 PolarHBondContact O-N 3.32Å; K53-T57 PolarHBondContact O-OG1 3.33Å; V54-T57 PolarHBondContact O-N 2.93Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 2.84Å; T57-W59 VanDerWaalsContact C-N 3.34Å; T57-W59 PolarHBondContact O-N 3.36Å; T57-I60 PolarHBondContact O-N 3.48Å; T57-V61 VanDerWaalsContact O-CG2 3.31Å; T57-V61 WeakPolarHBondContact O-CG2 3.31Å; T57-V61 PolarHBondContact O-N 3.47Å |
| 58 | L | 82.6 | Confident | 79.1 | Confident | 112 Ų | 112 | 100.8 Ų | 100.8 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 175.3 | -73.3 | 171 | 0 | 0 | 0 | 111.8 | V54 V55 V61 Y62 | V54-L58 HydrophobicContact CG1-CD1 3.81Å; V54-L58 HydrophobicContact CG1-CG 4.35Å; V54-L58 WeakPolarHBondContact O-CB 3.42Å; V54-L58 VanDerWaalsContact O-CG 3.3Å; V54-L58 WeakPolarHBondContact O-CG 3.28Å; V54-L58 PolarHBondContact O-N 3.32Å; V55-L58 PolarHBondContact O-N 3.05Å; L58-V61 PolarHBondContact O-N 2.86Å; L58-Y62 VanDerWaalsContact O-CB 3.27Å; L58-Y62 WeakPolarHBondContact O-CB 3.37Å; L58-Y62 PolarHBondContact O-N 2.95Å |
| 59 | W | 84.6 | Confident | 79.9 | Confident | 169 Ų | 169 | 101.3 Ų | 101.3 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 177.3 | -172.9 | 51.6 | 0 | 0 | 0 | 112 | V55 I56 T57 Y62 L63 | V55-W59 WeakPolarHBondContact O-CB 3.33Å; V55-W59 PolarHBondContact O-N 2.66Å; I56-W59 PolarHBondContact O-N 2.96Å; T57-W59 VanDerWaalsContact C-N 3.34Å; T57-W59 PolarHBondContact O-N 3.36Å; W59-Y62 PolarHBondContact O-N 2.94Å; W59-L63 HydrophobicContact CZ2-CD1 4.5Å; W59-L63 WeakPolarHBondContact O-CB 3.5Å; W59-L63 PolarHBondContact O-N 3.44Å |
| 60 | I | 88.3 | Confident | 80.3 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 45% | 0.451 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 175.9 | -69.5 | 166.7 | 0 | 0 | 0 | 111 | I56 T57 L63 W64 | I56-I60 HydrophobicContact CG2-CD1 3.74Å; I56-I60 HydrophobicContact CG2-CG1 4.4Å; I56-I60 VanDerWaalsContact O-CG1 3.25Å; I56-I60 WeakPolarHBondContact O-CG1 3.42Å; I56-I60 PolarHBondContact O-N 2.89Å; T57-I60 PolarHBondContact O-N 3.48Å; I60-L63 PolarHBondContact O-N 2.94Å; I60-W64 WeakPolarHBondContact O-CB 3.3Å; I60-W64 PolarHBondContact O-N 3.39Å |
| 61 | V | 88.8 | Confident | 80.8 | Confident | 81 Ų | 81 | 104 Ų | 104 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | T57 L58 L63 W64 V65 | T57-V61 VanDerWaalsContact O-CG2 3.31Å; T57-V61 WeakPolarHBondContact O-CG2 3.31Å; T57-V61 PolarHBondContact O-N 3.47Å; L58-V61 PolarHBondContact O-N 2.86Å; V61-L63 PolarHBondContact O-N 3.45Å; V61-W64 PolarHBondContact O-N 3.44Å; V61-V65 HydrophobicContact CG1-CG2 4.37Å; V61-V65 WeakPolarHBondContact O-CG2 3.19Å; V61-V65 PolarHBondContact O-N 3.4Å |
| 62 | Y | 87 | Confident | 80.6 | Confident | 163 Ų | 163 | 106.6 Ų | 106.6 | 64% | 0.639 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.1 | -44.2 | 177.2 | -179.9 | -99.2 | 0 | 0 | 0 | 112.3 | L58 W59 W64 V65 S66 | L58-Y62 VanDerWaalsContact O-CB 3.27Å; L58-Y62 WeakPolarHBondContact O-CB 3.37Å; L58-Y62 PolarHBondContact O-N 2.95Å; W59-Y62 PolarHBondContact O-N 2.94Å; Y62-W64 VanDerWaalsContact C-N 3.33Å; Y62-W64 PolarHBondContact O-N 3.29Å; Y62-V65 PolarHBondContact O-N 2.77Å; Y62-S66 VanDerWaalsContact O-CB 3.31Å; Y62-S66 WeakPolarHBondContact O-CB 3.49Å; Y62-S66 PolarHBondContact O-N 3.03Å; Y62-S66 PolarHBondContact O-OG 3.09Å |
| 63 | L | 86.4 | Confident | 79.5 | Confident | 99 Ų | 99 | 111.9 Ų | 111.9 | 52% | 0.518 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 177.4 | -147.8 | 100.3 | 0 | 0 | 0 | 111.1 | W59 I60 V61 S66 L67 | W59-L63 HydrophobicContact CZ2-CD1 4.5Å; W59-L63 WeakPolarHBondContact O-CB 3.5Å; W59-L63 PolarHBondContact O-N 3.44Å; I60-L63 PolarHBondContact O-N 2.94Å; V61-L63 PolarHBondContact O-N 3.45Å; L63-S66 PolarHBondContact O-N 3.44Å; L63-L67 WeakPolarHBondContact O-CB 3.39Å; L63-L67 PolarHBondContact O-N 3.45Å |
| 64 | W | 86.4 | Confident | 78.5 | Confident | 169 Ų | 169 | 110 Ų | 110 | 64% | 0.64 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65 | -46.6 | 177 | -107.9 | 83.4 | 0 | 0 | 0 | 112.6 | I60 V61 Y62 S66 L67 L68 | I60-W64 WeakPolarHBondContact O-CB 3.3Å; I60-W64 PolarHBondContact O-N 3.39Å; V61-W64 PolarHBondContact O-N 3.44Å; Y62-W64 VanDerWaalsContact C-N 3.33Å; Y62-W64 PolarHBondContact O-N 3.29Å; W64-S66 VanDerWaalsContact C-N 3.3Å; W64-S66 PolarHBondContact O-N 3.44Å; W64-L67 PolarHBondContact O-N 2.89Å; W64-L68 HydrophobicContact CE3-CD1 3.64Å; W64-L68 HydrophobicContact CE3-CG 4.21Å; W64-L68 HydrophobicContact CZ3-CD1 4.17Å; W64-L68 WeakPolarHBondContact O-CB 3.22Å; W64-L68 WeakPolarHBondContact O-CD1 3.29Å; W64-L68 WeakPolarHBondContact O-CG 3.28Å; W64-L68 PolarHBondContact O-N 3.31Å |
| 65 | V | 84.7 | Confident | 77.3 | Confident | 84 Ų | 84 | 114.8 Ų | 114.8 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.3 | -38.9 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | V61 Y62 L68 K69 | V61-V65 HydrophobicContact CG1-CG2 4.37Å; V61-V65 WeakPolarHBondContact O-CG2 3.19Å; V61-V65 PolarHBondContact O-N 3.4Å; Y62-V65 PolarHBondContact O-N 2.77Å; V65-L68 PolarHBondContact O-N 2.88Å; V65-K69 VanDerWaalsContact O-CB 3.23Å; V65-K69 WeakPolarHBondContact O-CB 3.23Å; V65-K69 PolarHBondContact O-N 3.47Å |
| 66 | S | 81.9 | Confident | 76.1 | Confident | 44 Ų | 44 | 115.2 Ų | 115.2 | 31% | 0.308 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.3 | -41.6 | 176.3 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | Y62 L63 W64 K69 T70 | Y62-S66 VanDerWaalsContact O-CB 3.31Å; Y62-S66 WeakPolarHBondContact O-CB 3.49Å; Y62-S66 PolarHBondContact O-N 3.03Å; Y62-S66 PolarHBondContact O-OG 3.09Å; L63-S66 PolarHBondContact O-N 3.44Å; W64-S66 VanDerWaalsContact C-N 3.3Å; W64-S66 PolarHBondContact O-N 3.44Å; S66-K69 PolarHBondContact O-N 3.09Å; S66-T70 WeakPolarHBondContact O-CG2 3.41Å; S66-T70 PolarHBondContact O-N 2.86Å; S66-T70 PolarHBondContact O-OG1 2.9Å; S66-T70 VanDerWaalsContact O-OG1 3.05Å |
| 67 | L | 80.9 | Confident | 74.6 | Confident | 94 Ų | 94 | 114.2 Ų | 114.2 | 49% | 0.492 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.1 | -39.8 | 175.8 | -166.4 | 125.1 | 0 | 0 | 0 | 112.1 | L63 W64 T70 I71 | L63-L67 WeakPolarHBondContact O-CB 3.39Å; L63-L67 PolarHBondContact O-N 3.45Å; W64-L67 PolarHBondContact O-N 2.89Å; L67-T70 WeakPolarHBondContact CA-OG1 3.31Å; L67-T70 PolarHBondContact O-N 3.39Å; L67-T70 PolarHBondContact O-OG1 3.13Å; L67-I71 HydrophobicContact CD2-CD1 3.65Å; L67-I71 HydrophobicContact CG-CD1 4.25Å; L67-I71 VanDerWaalsContact O-CG1 3.26Å; L67-I71 WeakPolarHBondContact O-CG1 3.43Å; L67-I71 PolarHBondContact O-N 3.34Å |
| 68 | L | 82.4 | Confident | 73.3 | Confident | 93 Ų | 93 | 115.5 Ų | 115.5 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.4 | -43.2 | 172.9 | -85 | 155.5 | 0 | 0 | 0 | 111.6 | W64 V65 I71 F72 | W64-L68 HydrophobicContact CE3-CD1 3.64Å; W64-L68 HydrophobicContact CE3-CG 4.21Å; W64-L68 HydrophobicContact CZ3-CD1 4.17Å; W64-L68 WeakPolarHBondContact O-CB 3.22Å; W64-L68 WeakPolarHBondContact O-CD1 3.29Å; W64-L68 WeakPolarHBondContact O-CG 3.28Å; W64-L68 PolarHBondContact O-N 3.31Å; V65-L68 PolarHBondContact O-N 2.88Å; L68-I71 PolarHBondContact O-N 3.2Å; L68-F72 VanDerWaalsContact O-CB 3.31Å; L68-F72 WeakPolarHBondContact O-CB 3.3Å; L68-F72 PolarHBondContact O-N 3.21Å |
| 69 | K | 75.4 | Confident | 71.9 | Confident | 160 Ų | 160 | 116.2 Ų | 116.2 | 70% | 0.696 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.7 | -41.3 | 179.4 | -172.9 | 164.1 | 176.7 | 164.7 | 0 | 111.8 | V65 S66 F72 W73 | V65-K69 VanDerWaalsContact O-CB 3.23Å; V65-K69 WeakPolarHBondContact O-CB 3.23Å; V65-K69 PolarHBondContact O-N 3.47Å; S66-K69 PolarHBondContact O-N 3.09Å; K69-F72 PolarHBondContact O-N 2.92Å; K69-W73 VanDerWaalsContact O-CB 3.28Å; K69-W73 WeakPolarHBondContact O-CB 3.21Å; K69-W73 PolarHBondContact O-N 3.44Å |
| 70 | T | 72.4 | Confident | 70.4 | Confident | 91 Ų | 91 | 111 Ų | 111 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.9 | -41.5 | 175.2 | 47.7 | 0 | 0 | 0 | 0 | 112.6 | S66 L67 S74 | S66-T70 WeakPolarHBondContact O-CG2 3.41Å; S66-T70 PolarHBondContact O-N 2.86Å; S66-T70 PolarHBondContact O-OG1 2.9Å; S66-T70 VanDerWaalsContact O-OG1 3.05Å; L67-T70 WeakPolarHBondContact CA-OG1 3.31Å; L67-T70 PolarHBondContact O-N 3.39Å; L67-T70 PolarHBondContact O-OG1 3.13Å; T70-S74 WeakPolarHBondContact O-CB 3.35Å; T70-S74 PolarHBondContact O-N 2.83Å |
| 71 | I | 72.6 | Confident | 68.9 | Low | 97 Ų | 97 | 109.4 Ų | 109.4 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.3 | -42.8 | 175.9 | -67.2 | 168.2 | 0 | 0 | 0 | 111.6 | L67 L68 S74 R75 | L67-I71 HydrophobicContact CD2-CD1 3.65Å; L67-I71 HydrophobicContact CG-CD1 4.25Å; L67-I71 VanDerWaalsContact O-CG1 3.26Å; L67-I71 WeakPolarHBondContact O-CG1 3.43Å; L67-I71 PolarHBondContact O-N 3.34Å; L68-I71 PolarHBondContact O-N 3.2Å; I71-S74 WeakPolarHBondContact O-CB 3.26Å; I71-S74 PolarHBondContact O-N 3.45Å; I71-R75 PolarHBondContact O-N 3.33Å; I71-R75 VanDerWaalsContact O-N 3.12Å |
| 72 | F | 64.6 | Low | 67.4 | Low | 124 Ų | 124 | 108.6 Ų | 108.6 | 54% | 0.544 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.3 | -37.2 | -178 | -161.2 | -99.9 | 0 | 0 | 0 | 111.9 | L68 K69 S74 R75 N76 | L68-F72 VanDerWaalsContact O-CB 3.31Å; L68-F72 WeakPolarHBondContact O-CB 3.3Å; L68-F72 PolarHBondContact O-N 3.21Å; K69-F72 PolarHBondContact O-N 2.92Å; F72-S74 VanDerWaalsContact C-N 3.35Å; F72-R75 PolarHBondContact O-N 2.95Å; F72-R75 VanDerWaalsContact O-N 3.13Å; F72-N76 VanDerWaalsContact CE1-ND2 3.25Å; F72-N76 WeakPolarHBondContact CE1-ND2 3.41Å; F72-N76 PolarHBondContact O-N 3.14Å |
| 73 | W | 54.8 | Low | 66.2 | Low | 219 Ų | 219 | 104.8 Ų | 104.8 | 83% | 0.83 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.8 | -36.2 | 174.2 | -152.6 | 35.2 | 0 | 0 | 0 | 112 | K69 R75 G77 | K69-W73 VanDerWaalsContact O-CB 3.28Å; K69-W73 WeakPolarHBondContact O-CB 3.21Å; K69-W73 PolarHBondContact O-N 3.44Å; W73-R75 PolarHBondContact O-N 3.43Å; W73-G77 PolarHBondContact O-N 2.88Å |
| 74 | S | 56.4 | Low | 64.9 | Low | 85 Ų | 85 | 104.8 Ų | 104.8 | 59% | 0.594 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.3 | -26.1 | 170.4 | 176.5 | 0 | 0 | 0 | 0 | 113.4 | T70 I71 F72 | T70-S74 WeakPolarHBondContact O-CB 3.35Å; T70-S74 PolarHBondContact O-N 2.83Å; I71-S74 WeakPolarHBondContact O-CB 3.26Å; I71-S74 PolarHBondContact O-N 3.45Å; F72-S74 VanDerWaalsContact C-N 3.35Å |
| 75 | R | 51.4 | Low | 63.6 | Low | 179 Ų | 179 | 103.4 Ų | 103.4 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -87.9 | -40.5 | -179.4 | -162.2 | 145 | 85.9 | 176.1 | 8.6 | 112.5 | I71 F72 W73 G77 | I71-R75 PolarHBondContact O-N 3.33Å; I71-R75 VanDerWaalsContact O-N 3.12Å; F72-R75 PolarHBondContact O-N 2.95Å; F72-R75 VanDerWaalsContact O-N 3.13Å; W73-R75 PolarHBondContact O-N 3.43Å; R75-G77 VanDerWaalsContact C-N 3.34Å; R75-G77 PolarHBondContact O-N 3.4Å |
| 76 | N | 52.2 | Low | 62.5 | Low | 102 Ų | 102 | 104.3 Ų | 104.3 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -75.9 | -17 | -178.7 | -77.9 | 16.3 | 0 | 0 | 0 | 114.4 | F72 | F72-N76 VanDerWaalsContact CE1-ND2 3.25Å; F72-N76 WeakPolarHBondContact CE1-ND2 3.41Å; F72-N76 PolarHBondContact O-N 3.14Å |
| 77 | G | 52.5 | Low | 61.8 | Low | 63 Ų | 63 | 110.2 Ų | 110.2 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -2.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | W73 R75 | W73-G77 PolarHBondContact O-N 2.88Å; R75-G77 VanDerWaalsContact C-N 3.34Å; R75-G77 PolarHBondContact O-N 3.4Å |
| 78 | H | 52.9 | Low | 60.9 | Low | 109 Ų | 109 | 108.4 Ų | 108.4 | 51% | 0.505 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -110.6 | -4.6 | -167.4 | -117.6 | 14.2 | 0 | 0 | 0 | 116.1 | G80 T82 | H78-G80 PolarHBondContact O-N 3.11Å; H78-T82 PolarHBondContact O-OG1 3.08Å |
| 79 | D | 52.4 | Low | 60.1 | Low | 128 Ų | 128 | 111.3 Ų | 111.3 | 68% | 0.684 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -17.1 | -174.1 | -74.6 | -16.8 | 0 | 0 | 0 | 114.1 | ||
| 80 | G | 54.8 | Low | 59.4 | Low | 58 Ų | 58 | 111.2 Ų | 111.2 | 60% | 0.598 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -30.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H78 | H78-G80 PolarHBondContact O-N 3.11Š|
| 81 | S | 55.1 | Low | 58.8 | Low | 55 Ų | 55 | 110.9 Ų | 110.9 | 39% | 0.385 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -81.4 | -33.9 | -172.9 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | Q85 | S81-Q85 WeakPolarHBondContact O-CB 3.47Å; S81-Q85 WeakPolarHBondContact O-CG 3.34Å; S81-Q85 PolarHBondContact O-N 3.05Å |
| 82 | T | 57.9 | Low | 58.4 | Low | 65 Ų | 65 | 110.9 Ų | 110.9 | 40% | 0.399 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.3 | -37.9 | -178.1 | 40.3 | 0 | 0 | 0 | 0 | 112.4 | H78 Q85 Q86 | H78-T82 PolarHBondContact O-OG1 3.08Å; T82-Q85 PolarHBondContact O-N 3.27Å; T82-Q86 WeakPolarHBondContact O-CB 3.35Å; T82-Q86 PolarHBondContact O-N 2.9Å |
| 83 | D | 61.8 | Low | 58.1 | Low | 82 Ų | 82 | 111.4 Ų | 111.4 | 44% | 0.439 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.1 | -42.4 | 176.6 | -170.9 | 62.5 | 0 | 0 | 0 | 112 | Q86 R87 | D83-Q86 PolarHBondContact O-N 3.43Å; D83-R87 WeakPolarHBondContact O-CB 3.23Å; D83-R87 PolarHBondContact O-N 2.82Å; D83-R87 IonicContact OD2-CZ 3.51Å; D83-R87 IonicContact OD2-NE 3.7Å; D83-R87 IonicContact OD2-NH2 2.88Å; D83-R87 PolarHBondContact OD2-NH2 3.06Å |
| 84 | V | 59.9 | Low | 58.4 | Low | 99 Ų | 99 | 111 Ų | 111 | 60% | 0.6 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.4 | -44.6 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 111 | R87 A88 | V84-R87 PolarHBondContact O-N 3.37Å; V84-A88 WeakPolarHBondContact O-CB 3.45Å; V84-A88 PolarHBondContact O-N 3.48Å |
| 85 | Q | 58.1 | Low | 58.3 | Low | 141 Ų | 141 | 116.2 Ų | 116.2 | 66% | 0.659 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.3 | -36.2 | 177.1 | -70.8 | -146.4 | -20.2 | 0 | 0 | 112.3 | S81 T82 W89 | S81-Q85 WeakPolarHBondContact O-CB 3.47Å; S81-Q85 WeakPolarHBondContact O-CG 3.34Å; S81-Q85 PolarHBondContact O-N 3.05Å; T82-Q85 PolarHBondContact O-N 3.27Å; Q85-W89 WeakPolarHBondContact O-CB 3.45Å; Q85-W89 PolarHBondContact O-N 2.98Å |
| 86 | Q | 62.5 | Low | 58.4 | Low | 102 Ų | 102 | 112.4 Ų | 112.4 | 48% | 0.477 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -73.4 | -33.6 | 178.3 | -166.8 | 156 | -27.5 | 0 | 0 | 112.1 | T82 D83 R90 | T82-Q86 WeakPolarHBondContact O-CB 3.35Å; T82-Q86 PolarHBondContact O-N 2.9Å; D83-Q86 PolarHBondContact O-N 3.43Å; Q86-R90 WeakPolarHBondContact O-CG 3.31Å; Q86-R90 PolarHBondContact O-N 3.34Å |
| 87 | R | 67 | Low | 58.6 | Low | 169 Ų | 169 | 113 Ų | 113 | 64% | 0.638 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69 | -43.7 | 171.9 | -167.6 | 175 | -64.6 | -173.3 | 4.7 | 111.5 | D83 V84 W89 R90 S91 | D83-R87 WeakPolarHBondContact O-CB 3.23Å; D83-R87 PolarHBondContact O-N 2.82Å; D83-R87 IonicContact OD2-CZ 3.51Å; D83-R87 IonicContact OD2-NE 3.7Å; D83-R87 IonicContact OD2-NH2 2.88Å; D83-R87 PolarHBondContact OD2-NH2 3.06Å; V84-R87 PolarHBondContact O-N 3.37Å; R87-W89 VanDerWaalsContact C-N 3.34Å; R87-W89 PolarHBondContact O-N 3.5Å; R87-R90 PolarHBondContact O-N 2.95Å; R87-S91 PolarHBondContact O-N 2.91Å; R87-S91 VanDerWaalsContact O-N 3.13Å |
| 88 | A | 62.5 | Low | 58.8 | Low | 56 Ų | 56 | 112.5 Ų | 112.5 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.7 | -40.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V84 S91 N92 | V84-A88 WeakPolarHBondContact O-CB 3.45Å; V84-A88 PolarHBondContact O-N 3.48Å; A88-S91 PolarHBondContact O-N 2.85Å; A88-N92 PolarHBondContact O-N 2.87Å |
| 89 | W | 65.8 | Low | 58.6 | Low | 153 Ų | 153 | 112.9 Ų | 112.9 | 58% | 0.58 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.3 | -41.7 | 177.9 | -173.2 | 85 | 0 | 0 | 0 | 112.7 | Q85 R87 S91 N92 R93 | Q85-W89 WeakPolarHBondContact O-CB 3.45Å; Q85-W89 PolarHBondContact O-N 2.98Å; R87-W89 VanDerWaalsContact C-N 3.34Å; R87-W89 PolarHBondContact O-N 3.5Å; W89-S91 VanDerWaalsContact C-N 3.32Å; W89-S91 PolarHBondContact O-N 3.33Å; W89-N92 PolarHBondContact O-N 3.43Å; W89-R93 WeakPolarHBondContact O-CB 3.28Å; W89-R93 PolarHBondContact O-N 3.42Å |
| 90 | R | 59.8 | Low | 58.5 | Low | 158 Ų | 158 | 115.6 Ų | 115.6 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.8 | -38 | 174.4 | -79.7 | -173.4 | -178.2 | 142.4 | -1.4 | 112.4 | Q86 R87 | Q86-R90 WeakPolarHBondContact O-CG 3.31Å; Q86-R90 PolarHBondContact O-N 3.34Å; R87-R90 PolarHBondContact O-N 2.95Å |
| 91 | S | 59.8 | Low | 58.3 | Low | 84 Ų | 84 | 117.8 Ų | 117.8 | 59% | 0.587 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.6 | -45.6 | 175.6 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | R87 A88 W89 R93 R94 R95 | R87-S91 PolarHBondContact O-N 2.91Å; R87-S91 VanDerWaalsContact O-N 3.13Å; A88-S91 PolarHBondContact O-N 2.85Å; W89-S91 VanDerWaalsContact C-N 3.32Å; W89-S91 PolarHBondContact O-N 3.33Å; S91-R93 VanDerWaalsContact C-N 3.33Å; S91-R93 PolarHBondContact O-N 3.41Å; S91-R94 PolarHBondContact O-N 3.39Å; S91-R95 PolarHBondContact O-N 2.9Å |
| 92 | N | 63.4 | Low | 58.2 | Low | 98 Ų | 98 | 121.9 Ų | 121.9 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.6 | -29.5 | -178.9 | -122.8 | -22.8 | 0 | 0 | 0 | 113.1 | A88 W89 R95 Q96 | A88-N92 PolarHBondContact O-N 2.87Å; W89-N92 PolarHBondContact O-N 3.43Å; N92-R95 PolarHBondContact O-N 3.24Å; N92-Q96 PolarHBondContact O-N 2.96Å |
| 93 | R | 60.1 | Low | 57.8 | Low | 134 Ų | 134 | 123.4 Ų | 123.4 | 51% | 0.506 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.7 | -43.5 | 177.6 | -170.8 | 166.3 | -177.8 | 168.8 | 0.8 | 112.5 | W89 S91 R95 Q96 E97 | W89-R93 WeakPolarHBondContact O-CB 3.28Å; W89-R93 PolarHBondContact O-N 3.42Å; S91-R93 VanDerWaalsContact C-N 3.33Å; S91-R93 PolarHBondContact O-N 3.41Å; R93-R95 VanDerWaalsContact C-N 3.32Å; R93-R95 PolarHBondContact O-N 3.29Å; R93-Q96 PolarHBondContact O-N 2.93Å; R93-E97 IonicContact NE-OE1 3.76Å; R93-E97 PolarHBondContact O-N 3.29Å; R93-E97 VanDerWaalsContact O-N 3.07Å |
| 94 | R | 59.9 | Low | 57.4 | Low | 210 Ų | 210 | 127.9 Ų | 127.9 | 79% | 0.792 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.9 | -36.7 | 174.9 | -69 | -170.7 | -176.7 | -174.5 | 1.3 | 112.2 | S91 | S91-R94 PolarHBondContact O-N 3.39Å |
| 95 | R | 55.4 | Low | 56.7 | Low | 196 Ų | 196 | 131 Ų | 131 | 74% | 0.74 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.4 | -33 | 176.7 | -134.7 | -175.2 | -168.2 | -169.8 | 4.1 | 112.9 | S91 N92 R93 L99 | S91-R95 PolarHBondContact O-N 2.9Å; N92-R95 PolarHBondContact O-N 3.24Å; R93-R95 VanDerWaalsContact C-N 3.32Å; R93-R95 PolarHBondContact O-N 3.29Å; R95-L99 PolarHBondContact O-N 3.49Å |
| 96 | Q | 52.9 | Low | 56.5 | Low | 99 Ų | 99 | 130.5 Ų | 130.5 | 46% | 0.463 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -75.8 | -28.3 | 175.3 | -80 | -147 | 10.9 | 0 | 0 | 113.9 | N92 R93 G98 L99 R100 | N92-Q96 PolarHBondContact O-N 2.96Å; R93-Q96 PolarHBondContact O-N 2.93Å; Q96-G98 VanDerWaalsContact C-N 3.26Å; Q96-G98 PolarHBondContact O-N 3.11Å; Q96-L99 PolarHBondContact O-N 3.41Å; Q96-R100 VanDerWaalsContact O-CB 3.24Å; Q96-R100 WeakPolarHBondContact O-CB 3.34Å; Q96-R100 VanDerWaalsContact O-CG 3.26Å; Q96-R100 WeakPolarHBondContact O-CG 3.33Å; Q96-R100 PolarHBondContact O-N 3.01Å |
| 97 | E | 55.7 | Low | 55.6 | Low | 115 Ų | 115 | 135.3 Ų | 135.3 | 54% | 0.537 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -64.8 | -31.5 | 174 | -77.2 | 162.5 | -173.8 | 0 | 0 | 111.8 | R93 | R93-E97 IonicContact NE-OE1 3.76Å; R93-E97 PolarHBondContact O-N 3.29Å; R93-E97 VanDerWaalsContact O-N 3.07Å |
| 98 | G | 56.8 | Low | 54.6 | Low | 52 Ų | 52 | 137 Ų | 137 | 54% | 0.536 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -77.5 | -24 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q96 | Q96-G98 VanDerWaalsContact C-N 3.26Å; Q96-G98 PolarHBondContact O-N 3.11Å |
| 99 | L | 50.2 | Low | 53.8 | Low | 116 Ų | 116 | 146 Ų | 146 | 61% | 0.607 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -94 | -18.5 | 177.8 | -79.2 | 165.9 | 0 | 0 | 0 | 113.6 | R95 Q96 S101 I102 | R95-L99 PolarHBondContact O-N 3.49Å; Q96-L99 PolarHBondContact O-N 3.41Å; L99-S101 PolarHBondContact O-N 3.47Å; L99-I102 PolarHBondContact O-N 2.95Å |
| 100 | R | 48.7 | Very low | 52.8 | Low | 186 Ų | 186 | 145.4 Ų | 145.4 | 70% | 0.702 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -15.1 | -179 | -93 | 179.5 | 177.3 | -160.2 | -1.5 | 114.3 | Q96 I102 | Q96-R100 VanDerWaalsContact O-CB 3.24Å; Q96-R100 WeakPolarHBondContact O-CB 3.34Å; Q96-R100 VanDerWaalsContact O-CG 3.26Å; Q96-R100 WeakPolarHBondContact O-CG 3.33Å; Q96-R100 PolarHBondContact O-N 3.01Å; R100-I102 VanDerWaalsContact C-N 3.34Å |
| 101 | S | 50.5 | Low | 52.3 | Low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -11.1 | 173.8 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | L99 | L99-S101 PolarHBondContact O-N 3.47Š|
| 102 | I | 53.4 | Low | 52 | Low | 142 Ų | 142 | 144.3 Ų | 144.3 | 73% | 0.728 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | -17.1 | -170.7 | -59.9 | 175.4 | 0 | 0 | 0 | 113.8 | L99 R100 | L99-I102 PolarHBondContact O-N 2.95Å; R100-I102 VanDerWaalsContact C-N 3.34Å |
| 103 | C | 50.8 | Low | 51.4 | Low | 97 Ų | 97 | 149.1 Ų | 149.1 | 66% | 0.655 | 73% | 0.731 | S | S | * | * | trans | -134.6 | 86.6 | -174.7 | -171.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 104 | M | 51.6 | Low | 51.1 | Low | 175 Ų | 175 | 153.8 Ų | 153.8 | 86% | 0.862 | 75% | 0.749 | S | S | * | * | trans | -93.1 | 94 | 151.5 | -86.2 | -141.9 | 80.9 | 0 | 0 | 108.7 | ||||
| 105 | H | 46.6 | Very low | 50.8 | Low | 166 Ų | 166 | 146.3 Ų | 146.3 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | -148.6 | 115.7 | 151.2 | -94.4 | -72.7 | 0 | 0 | 0 | 111.3 | ||||
| 106 | T | 54.3 | Low | 51 | Low | 129 Ų | 129 | 143.7 Ų | 143.7 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | 36.9 | 90.2 | 156.2 | 56.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 107 | K | 42.2 | Very low | 51.3 | Low | 204 Ų | 204 | 145.9 Ų | 145.9 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | -101.1 | 102.3 | 151.7 | -92.8 | -176.1 | 177.3 | 178.3 | 0 | 110.3 | R109 | K107-R109 PolarHBondContact O-N 3.48Š| ||
| 108 | K | 47.2 | Very low | 51.5 | Low | 204 Ų | 204 | 145.7 Ų | 145.7 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | trans | -54.8 | 118 | 163.2 | -87.4 | -176.3 | 176.6 | 177.4 | 0 | 108.4 | V110 | K108-V110 PolarHBondContact O-N 3.03Š| ||
| 109 | R | 45.8 | Very low | 51.8 | Low | 246 Ų | 246 | 147.7 Ų | 147.7 | 93% | 0.928 | 75% | 0.749 | S | S | * | * | trans | -75.1 | 108.5 | 169.7 | -69.5 | -172.4 | -179.8 | -171.3 | 1.7 | 108 | K107 S111 | K107-R109 PolarHBondContact O-N 3.48Å; R109-S111 PolarHBondContact O-N 2.89Å | ||
| 110 | V | 44.9 | Very low | 52.8 | Low | 139 Ų | 139 | 147.4 Ų | 147.4 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | trans | -64.7 | 115.9 | 162.4 | 177.9 | 0 | 0 | 0 | 0 | 106.7 | K108 S112 | K108-V110 PolarHBondContact O-N 3.03Å; V110-S112 PolarHBondContact O-N 3.43Å | ||
| 111 | S | 48.5 | Very low | 53.9 | Low | 110 Ų | 110 | 145.4 Ų | 145.4 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -62.5 | 116.1 | -179.2 | 52.7 | 0 | 0 | 0 | 0 | 110.2 | R109 F113 | R109-S111 PolarHBondContact O-N 2.89Å; S111-F113 PolarHBondContact O-N 3.12Å | ||
| 112 | S | 53.2 | Low | 55.1 | Low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | -68.9 | 119.3 | 173.7 | 45.5 | 0 | 0 | 0 | 0 | 110.8 | V110 | V110-S112 PolarHBondContact O-N 3.43Š| ||
| 113 | F | 51.8 | Low | 56.3 | Low | 198 Ų | 198 | 142.4 Ų | 142.4 | 87% | 0.868 | 73% | 0.725 | S | S | * | * | trans | 12.9 | 109.4 | 163.7 | -91.8 | -101.7 | 0 | 0 | 0 | 118.1 | S111 | S111-F113 PolarHBondContact O-N 3.12Š| ||
| 114 | R | 53.3 | Low | 57.8 | Low | 233 Ų | 233 | 141.4 Ų | 141.4 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -87.3 | 4.2 | 178.9 | -156.4 | 177.4 | -172.1 | -135.9 | 3.6 | 114.2 | ||
| 115 | G | 53.7 | Low | 59.4 | Low | 53 Ų | 53 | 137 Ų | 137 | 55% | 0.546 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -81.8 | -37 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 116 | N | 58.8 | Low | 61.3 | Low | 141 Ų | 141 | 134.5 Ų | 134.5 | 75% | 0.754 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -98 | -5.5 | -166.6 | -116.7 | 27.8 | 0 | 0 | 0 | 115.9 | ||
| 117 | K | 59.1 | Low | 62.9 | Low | 145 Ų | 145 | 136.3 Ų | 136.3 | 63% | 0.63 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -80.4 | -18.7 | -175.9 | -72.5 | -179.7 | -179.3 | 175.2 | 0 | 113.9 | K121 | K117-K121 WeakPolarHBondContact O-CD 3.38Å; K117-K121 VanDerWaalsContact O-CG 3.22Å; K117-K121 WeakPolarHBondContact O-CG 3.48Å |
| 118 | I | 61.2 | Low | 65 | Low | 111 Ų | 111 | 134.8 Ų | 134.8 | 57% | 0.569 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -79 | -53 | -177.1 | -61.1 | 171.4 | 0 | 0 | 0 | 109.5 | L120 K121 D122 | I118-L120 PolarHBondContact O-N 3.13Å; I118-K121 WeakPolarHBondContact O-CB 3.32Å; I118-K121 PolarHBondContact O-N 3.33Å; I118-K121 VanDerWaalsContact O-N 3.14Å; I118-D122 PolarHBondContact O-N 3.26Å; I118-D122 VanDerWaalsContact O-N 3.13Å |
| 119 | V | 61.2 | Low | 67 | Low | 93 Ų | 93 | 129.5 Ų | 129.5 | 56% | 0.564 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -59.9 | -42.6 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 112.6 | K121 D122 V123 | V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.36Å; V119-D122 PolarHBondContact O-N 3.33Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.5Å; V119-V123 PolarHBondContact O-N 3.44Å; V119-V123 VanDerWaalsContact O-N 3.08Å |
| 120 | L | 72.6 | Confident | 69.2 | Low | 110 Ų | 110 | 121.5 Ų | 121.5 | 58% | 0.576 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.7 | -37.2 | 179.2 | -176.5 | 64 | 0 | 0 | 0 | 112.3 | I118 I124 | I118-L120 PolarHBondContact O-N 3.13Å; L120-I124 HydrophobicContact CD1-CD1 4.18Å; L120-I124 HydrophobicContact CD1-CG1 4.49Å; L120-I124 HydrophobicContact CG-CD1 3.93Å; L120-I124 WeakPolarHBondContact O-CD1 3.38Å; L120-I124 WeakPolarHBondContact O-CG1 3.38Å; L120-I124 PolarHBondContact O-N 3.01Å; L120-I124 VanDerWaalsContact O-N 3.11Å |
| 121 | K | 71.7 | Confident | 71.2 | Confident | 144 Ų | 144 | 118.4 Ų | 118.4 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64 | -45.4 | 176.6 | -78.3 | 176.8 | 179.4 | -173.2 | 0 | 110.7 | K117 I118 V119 V123 I124 T125 | K117-K121 WeakPolarHBondContact O-CD 3.38Å; K117-K121 VanDerWaalsContact O-CG 3.22Å; K117-K121 WeakPolarHBondContact O-CG 3.48Å; I118-K121 WeakPolarHBondContact O-CB 3.32Å; I118-K121 PolarHBondContact O-N 3.33Å; I118-K121 VanDerWaalsContact O-N 3.14Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.36Å; K121-V123 PolarHBondContact O-N 2.89Å; K121-I124 PolarHBondContact O-N 3.46Å; K121-T125 PolarHBondContact O-N 3Å; K121-T125 PolarHBondContact O-OG1 3.48Å |
| 122 | D | 76.4 | Confident | 73.3 | Confident | 96 Ų | 96 | 117.2 Ų | 117.2 | 51% | 0.513 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.9 | -41.7 | -178.8 | -68 | -22.3 | 0 | 0 | 0 | 112 | I118 V119 T125 L126 | I118-D122 PolarHBondContact O-N 3.26Å; I118-D122 VanDerWaalsContact O-N 3.13Å; V119-D122 PolarHBondContact O-N 3.33Å; D122-T125 VanDerWaalsContact CA-OG1 3.23Å; D122-T125 WeakPolarHBondContact CA-OG1 3.25Å; D122-T125 PolarHBondContact O-N 2.86Å; D122-T125 PolarHBondContact O-OG1 2.88Å; D122-L126 VanDerWaalsContact O-CB 3.3Å; D122-L126 WeakPolarHBondContact O-CB 3.26Å; D122-L126 PolarHBondContact O-N 3.25Å |
| 123 | V | 77.9 | Confident | 75.2 | Confident | 87 Ų | 87 | 117.9 Ų | 117.9 | 53% | 0.527 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.8 | -41.9 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | V119 K121 L126 R127 | V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.5Å; V119-V123 PolarHBondContact O-N 3.44Å; V119-V123 VanDerWaalsContact O-N 3.08Å; K121-V123 PolarHBondContact O-N 2.89Å; V123-L126 PolarHBondContact O-N 3.43Å; V123-R127 WeakPolarHBondContact O-CB 3.4Å; V123-R127 PolarHBondContact O-N 3.17Å |
| 124 | I | 82 | Confident | 77.2 | Confident | 75 Ų | 75 | 112 Ų | 112 | 39% | 0.385 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.2 | -41.7 | 178.2 | -67.8 | 166.7 | 0 | 0 | 0 | 110.9 | L120 K121 R127 R128 | L120-I124 HydrophobicContact CD1-CD1 4.18Å; L120-I124 HydrophobicContact CD1-CG1 4.49Å; L120-I124 HydrophobicContact CG-CD1 3.93Å; L120-I124 WeakPolarHBondContact O-CD1 3.38Å; L120-I124 WeakPolarHBondContact O-CG1 3.38Å; L120-I124 PolarHBondContact O-N 3.01Å; L120-I124 VanDerWaalsContact O-N 3.11Å; K121-I124 PolarHBondContact O-N 3.46Å; I124-R127 PolarHBondContact O-N 3.23Å; I124-R128 WeakPolarHBondContact O-CG 3.32Å; I124-R128 PolarHBondContact O-N 2.92Å |
| 125 | T | 85.5 | Confident | 78.8 | Confident | 84 Ų | 84 | 109.4 Ų | 109.4 | 52% | 0.515 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 175.7 | 36.5 | 0 | 0 | 0 | 0 | 112.1 | K121 D122 R128 H129 | K121-T125 PolarHBondContact O-N 3Å; K121-T125 PolarHBondContact O-OG1 3.48Å; D122-T125 VanDerWaalsContact CA-OG1 3.23Å; D122-T125 WeakPolarHBondContact CA-OG1 3.25Å; D122-T125 PolarHBondContact O-N 2.86Å; D122-T125 PolarHBondContact O-OG1 2.88Å; T125-R128 PolarHBondContact O-N 3.49Å; T125-H129 WeakPolarHBondContact O-CB 3.33Å; T125-H129 PolarHBondContact O-N 3.44Å |
| 126 | L | 85.1 | Confident | 80.6 | Confident | 113 Ų | 113 | 109.3 Ų | 109.3 | 59% | 0.592 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 177.9 | -172.2 | 64.6 | 0 | 0 | 0 | 111 | D122 V123 R128 H129 V130 | D122-L126 VanDerWaalsContact O-CB 3.3Å; D122-L126 WeakPolarHBondContact O-CB 3.26Å; D122-L126 PolarHBondContact O-N 3.25Å; V123-L126 PolarHBondContact O-N 3.43Å; L126-R128 PolarHBondContact O-N 3.4Å; L126-H129 PolarHBondContact O-N 3.07Å; L126-V130 WeakPolarHBondContact O-CG2 3.28Å; L126-V130 PolarHBondContact O-N 3.38Å |
| 127 | R | 89.7 | Confident | 82.2 | Confident | 167 Ų | 167 | 109.7 Ų | 109.7 | 63% | 0.63 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.6 | -48.6 | 174.9 | -178.5 | -178.3 | 167.7 | -172.7 | -0.2 | 111.8 | V123 I124 H129 V130 E131 | V123-R127 WeakPolarHBondContact O-CB 3.4Å; V123-R127 PolarHBondContact O-N 3.17Å; I124-R127 PolarHBondContact O-N 3.23Å; R127-H129 VanDerWaalsContact C-N 3.31Å; R127-H129 PolarHBondContact O-N 3.29Å; R127-V130 PolarHBondContact O-N 3.36Å; R127-E131 IonicContact CZ-OE1 3.47Å; R127-E131 IonicContact NE-OE1 2.95Å; R127-E131 PolarHBondContact NE-OE1 2.96Å; R127-E131 IonicContact NH2-OE1 3.12Å; R127-E131 PolarHBondContact NH2-OE1 3.38Å; R127-E131 VanDerWaalsContact NH2-OE1 3.12Å; R127-E131 WeakPolarHBondContact O-CB 3.24Å; R127-E131 PolarHBondContact O-N 3.44Å |
| 128 | R | 85.8 | Confident | 83.7 | Confident | 171 Ų | 171 | 107.9 Ų | 107.9 | 65% | 0.645 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.2 | -41.9 | 178.4 | -75.4 | 178.6 | 177.7 | 179.1 | -0 | 111.8 | I124 T125 L126 E131 T132 | I124-R128 WeakPolarHBondContact O-CG 3.32Å; I124-R128 PolarHBondContact O-N 2.92Å; T125-R128 PolarHBondContact O-N 3.49Å; L126-R128 PolarHBondContact O-N 3.4Å; R128-E131 PolarHBondContact O-N 2.97Å; R128-T132 WeakPolarHBondContact O-CG2 3.47Å; R128-T132 PolarHBondContact O-N 3.46Å; R128-T132 PolarHBondContact O-OG1 2.97Å |
| 129 | H | 88.5 | Confident | 85.1 | Confident | 94 Ų | 94 | 111.8 Ų | 111.8 | 44% | 0.435 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 178.8 | 175 | -103.5 | 0 | 0 | 0 | 112.9 | T125 L126 R127 T132 K133 | T125-H129 WeakPolarHBondContact O-CB 3.33Å; T125-H129 PolarHBondContact O-N 3.44Å; L126-H129 PolarHBondContact O-N 3.07Å; R127-H129 VanDerWaalsContact C-N 3.31Å; R127-H129 PolarHBondContact O-N 3.29Å; H129-T132 PolarHBondContact O-OG1 2.94Å; H129-K133 WeakPolarHBondContact CE1-CE 3.36Å; H129-K133 PolarHBondContact CE1-NZ 3.4Å; H129-K133 VanDerWaalsContact NE2-CE 3.34Å; H129-K133 WeakPolarHBondContact NE2-CE 3.21Å; H129-K133 PolarHBondContact O-N 3.45Å; H129-K133 VanDerWaalsContact O-N 3.11Å |
| 130 | V | 91.6 | Very high | 86.4 | Confident | 77 Ų | 77 | 114.8 Ų | 114.8 | 47% | 0.467 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 174.1 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | L126 R127 T132 K133 V134 | L126-V130 WeakPolarHBondContact O-CG2 3.28Å; L126-V130 PolarHBondContact O-N 3.38Å; R127-V130 PolarHBondContact O-N 3.36Å; V130-T132 VanDerWaalsContact C-N 3.33Å; V130-T132 PolarHBondContact O-N 3.47Å; V130-K133 PolarHBondContact O-N 2.92Å; V130-V134 HydrophobicContact CG1-CG2 4.28Å; V130-V134 WeakPolarHBondContact O-CG2 3.34Å; V130-V134 PolarHBondContact O-N 3.12Å |
| 131 | E | 88.3 | Confident | 87.1 | Confident | 74 Ų | 74 | 118.6 Ų | 118.6 | 35% | 0.346 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.9 | -42.1 | 176.9 | -81 | 179.7 | -175.1 | 0 | 0 | 112 | R127 R128 V134 R135 | R127-E131 IonicContact CZ-OE1 3.47Å; R127-E131 IonicContact NE-OE1 2.95Å; R127-E131 PolarHBondContact NE-OE1 2.96Å; R127-E131 IonicContact NH2-OE1 3.12Å; R127-E131 PolarHBondContact NH2-OE1 3.38Å; R127-E131 VanDerWaalsContact NH2-OE1 3.12Å; R127-E131 WeakPolarHBondContact O-CB 3.24Å; R127-E131 PolarHBondContact O-N 3.44Å; R128-E131 PolarHBondContact O-N 2.97Å; E131-V134 PolarHBondContact O-N 3.13Å; E131-R135 WeakPolarHBondContact O-CB 3.39Å; E131-R135 VanDerWaalsContact O-CG 3.28Å; E131-R135 WeakPolarHBondContact O-CG 3.41Å; E131-R135 PolarHBondContact O-N 2.99Å |
| 132 | T | 92 | Very high | 87.8 | Confident | 85 Ų | 85 | 120 Ų | 120 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.2 | -41.2 | 176.8 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | R128 H129 V130 V134 R135 A136 | R128-T132 WeakPolarHBondContact O-CG2 3.47Å; R128-T132 PolarHBondContact O-N 3.46Å; R128-T132 PolarHBondContact O-OG1 2.97Å; H129-T132 PolarHBondContact O-OG1 2.94Å; V130-T132 VanDerWaalsContact C-N 3.33Å; V130-T132 PolarHBondContact O-N 3.47Å; T132-V134 PolarHBondContact O-N 2.85Å; T132-R135 PolarHBondContact O-N 3.49Å; T132-A136 WeakPolarHBondContact O-CB 3.06Å; T132-A136 PolarHBondContact O-N 2.85Å |
| 133 | K | 92.4 | Very high | 88.1 | Confident | 125 Ų | 125 | 118.4 Ų | 118.4 | 54% | 0.543 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 174.7 | -82.5 | -170.9 | 174.1 | -178.8 | 0 | 112.4 | H129 V130 A136 K137 | H129-K133 WeakPolarHBondContact CE1-CE 3.36Å; H129-K133 PolarHBondContact CE1-NZ 3.4Å; H129-K133 VanDerWaalsContact NE2-CE 3.34Å; H129-K133 WeakPolarHBondContact NE2-CE 3.21Å; H129-K133 PolarHBondContact O-N 3.45Å; H129-K133 VanDerWaalsContact O-N 3.11Å; V130-K133 PolarHBondContact O-N 2.92Å; K133-A136 PolarHBondContact O-N 3.35Å; K133-K137 PolarHBondContact O-N 3.1Å |
| 134 | V | 93.6 | Very high | 88 | Confident | 74 Ų | 74 | 117.7 Ų | 117.7 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.7 | -47.5 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | V130 E131 T132 A136 K137 I138 | V130-V134 HydrophobicContact CG1-CG2 4.28Å; V130-V134 WeakPolarHBondContact O-CG2 3.34Å; V130-V134 PolarHBondContact O-N 3.12Å; E131-V134 PolarHBondContact O-N 3.13Å; T132-V134 PolarHBondContact O-N 2.85Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-A136 PolarHBondContact O-N 2.99Å; V134-K137 PolarHBondContact O-N 3.46Å; V134-K137 VanDerWaalsContact O-N 3.17Å; V134-I138 HydrophobicContact CG1-CD1 3.83Å; V134-I138 HydrophobicContact CG1-CG1 4.45Å; V134-I138 WeakPolarHBondContact O-CG1 3.18Å; V134-I138 PolarHBondContact O-N 3.39Å |
| 135 | R | 88.8 | Confident | 88 | Confident | 178 Ų | 178 | 118.6 Ų | 118.6 | 67% | 0.672 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58.9 | -42.2 | 176.1 | -74.7 | 178.6 | -176.6 | -156.6 | 2.4 | 112.3 | E131 T132 I138 R139 | E131-R135 WeakPolarHBondContact O-CB 3.39Å; E131-R135 VanDerWaalsContact O-CG 3.28Å; E131-R135 WeakPolarHBondContact O-CG 3.41Å; E131-R135 PolarHBondContact O-N 2.99Å; T132-R135 PolarHBondContact O-N 3.49Å; R135-I138 PolarHBondContact O-N 2.82Å; R135-R139 WeakPolarHBondContact O-CB 3.43Å; R135-R139 PolarHBondContact O-N 2.88Å |
| 136 | A | 91.4 | Very high | 87.7 | Confident | 51 Ų | 51 | 119.2 Ų | 119.2 | 42% | 0.421 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T132 K133 V134 R139 K140 | T132-A136 WeakPolarHBondContact O-CB 3.06Å; T132-A136 PolarHBondContact O-N 2.85Å; K133-A136 PolarHBondContact O-N 3.35Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-A136 PolarHBondContact O-N 2.99Å; A136-R139 PolarHBondContact O-N 3.38Å; A136-K140 WeakPolarHBondContact O-CB 3.48Å; A136-K140 WeakPolarHBondContact O-CG 3.42Å; A136-K140 PolarHBondContact O-N 3.48Å |
| 137 | K | 91.1 | Very high | 87.4 | Confident | 149 Ų | 149 | 118 Ų | 118 | 65% | 0.648 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 174.8 | -80.9 | -178.4 | 177.1 | -178.5 | 0 | 112.2 | K133 V134 K140 R141 | K133-K137 PolarHBondContact O-N 3.1Å; V134-K137 PolarHBondContact O-N 3.46Å; V134-K137 VanDerWaalsContact O-N 3.17Å; K137-K140 PolarHBondContact O-N 3.44Å; K137-R141 WeakPolarHBondContact O-CG 3.35Å; K137-R141 PolarHBondContact O-N 2.8Å |
| 138 | I | 91.3 | Very high | 86.5 | Confident | 108 Ų | 108 | 114.8 Ų | 114.8 | 55% | 0.554 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 176.4 | -67.7 | 167.8 | 0 | 0 | 0 | 110.2 | V134 R135 K140 R141 R142 | V134-I138 HydrophobicContact CG1-CD1 3.83Å; V134-I138 HydrophobicContact CG1-CG1 4.45Å; V134-I138 WeakPolarHBondContact O-CG1 3.18Å; V134-I138 PolarHBondContact O-N 3.39Å; R135-I138 PolarHBondContact O-N 2.82Å; I138-K140 PolarHBondContact O-N 3.44Å; I138-R141 PolarHBondContact O-N 3.35Å; I138-R142 PolarHBondContact O-N 2.94Å |
| 139 | R | 89.6 | Confident | 86 | Confident | 192 Ų | 192 | 112 Ų | 112 | 73% | 0.725 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.4 | -45.9 | 178.1 | -172.7 | 176.1 | 178.7 | 173.2 | -0.2 | 111.8 | R135 A136 R142 V143 | R135-R139 WeakPolarHBondContact O-CB 3.43Å; R135-R139 PolarHBondContact O-N 2.88Å; A136-R139 PolarHBondContact O-N 3.38Å; R139-R142 PolarHBondContact O-N 3.32Å; R139-V143 VanDerWaalsContact O-CG2 3.31Å; R139-V143 WeakPolarHBondContact O-CG2 3.49Å; R139-V143 PolarHBondContact O-N 2.94Å |
| 140 | K | 89.3 | Confident | 85.3 | Confident | 157 Ų | 157 | 113.3 Ų | 113.3 | 68% | 0.683 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.7 | -48.2 | 176.3 | -78.1 | -173.5 | 178 | -170.2 | 0 | 111.8 | A136 K137 I138 R142 V143 T144 | A136-K140 WeakPolarHBondContact O-CB 3.48Å; A136-K140 WeakPolarHBondContact O-CG 3.42Å; A136-K140 PolarHBondContact O-N 3.48Å; K137-K140 PolarHBondContact O-N 3.44Å; I138-K140 PolarHBondContact O-N 3.44Å; K140-R142 PolarHBondContact O-N 3.38Å; K140-V143 PolarHBondContact O-N 2.93Å; K140-T144 WeakPolarHBondContact O-CG2 3.47Å; K140-T144 PolarHBondContact O-N 3.35Å; K140-T144 PolarHBondContact O-OG1 3.13Å; K140-T144 VanDerWaalsContact O-OG1 3.1Å |
| 141 | R | 86.9 | Confident | 84.4 | Confident | 190 Ų | 190 | 114.2 Ų | 114.2 | 72% | 0.717 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.9 | -43.3 | 178.2 | -75.5 | -171.8 | -174.7 | -145.9 | 1.8 | 112.3 | K137 I138 T144 T145 | K137-R141 WeakPolarHBondContact O-CG 3.35Å; K137-R141 PolarHBondContact O-N 2.8Å; I138-R141 PolarHBondContact O-N 3.35Å; R141-T144 WeakPolarHBondContact CA-OG1 3.3Å; R141-T144 PolarHBondContact O-N 2.94Å; R141-T144 PolarHBondContact O-OG1 3.03Å; R141-T145 WeakPolarHBondContact O-CB 3.47Å; R141-T145 PolarHBondContact O-N 2.98Å; R141-T145 PolarHBondContact O-OG1 3.4Å |
| 142 | R | 86.8 | Confident | 83.9 | Confident | 173 Ų | 173 | 117.9 Ų | 117.9 | 65% | 0.653 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.9 | -48.1 | 177.9 | -173.7 | 176.4 | 177 | 174.6 | 1.2 | 111.8 | I138 R139 K140 T144 T145 E146 | I138-R142 PolarHBondContact O-N 2.94Å; R139-R142 PolarHBondContact O-N 3.32Å; K140-R142 PolarHBondContact O-N 3.38Å; R142-T144 PolarHBondContact O-N 2.98Å; R142-T145 PolarHBondContact O-N 3.24Å; R142-E146 PolarHBondContact O-N 3.27Å |
| 143 | V | 82.8 | Confident | 83.3 | Confident | 63 Ų | 63 | 117.9 Ų | 117.9 | 38% | 0.382 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.5 | -45.3 | 178 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | R139 K140 T145 E146 I147 | R139-V143 VanDerWaalsContact O-CG2 3.31Å; R139-V143 WeakPolarHBondContact O-CG2 3.49Å; R139-V143 PolarHBondContact O-N 2.94Å; K140-V143 PolarHBondContact O-N 2.93Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.03Å; V143-E146 PolarHBondContact O-N 3.1Å; V143-I147 HydrophobicContact CG1-CD1 3.77Å; V143-I147 HydrophobicContact CG1-CG1 4.46Å; V143-I147 VanDerWaalsContact O-CG1 3.3Å; V143-I147 WeakPolarHBondContact O-CG1 3.38Å; V143-I147 PolarHBondContact O-N 3.04Å |
| 144 | T | 75.3 | Confident | 82.8 | Confident | 72 Ų | 72 | 115.5 Ų | 115.5 | 44% | 0.442 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64 | -36.5 | 177.9 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | K140 R141 R142 N148 | K140-T144 WeakPolarHBondContact O-CG2 3.47Å; K140-T144 PolarHBondContact O-N 3.35Å; K140-T144 PolarHBondContact O-OG1 3.13Å; K140-T144 VanDerWaalsContact O-OG1 3.1Å; R141-T144 WeakPolarHBondContact CA-OG1 3.3Å; R141-T144 PolarHBondContact O-N 2.94Å; R141-T144 PolarHBondContact O-OG1 3.03Å; R142-T144 PolarHBondContact O-N 2.98Å; T144-N148 WeakPolarHBondContact O-CB 3.42Å; T144-N148 PolarHBondContact O-N 3.4Å; T144-N148 PolarHBondContact O-ND2 2.98Å; T144-N148 VanDerWaalsContact O-ND2 3.13Å |
| 145 | T | 82.4 | Confident | 82.3 | Confident | 94 Ų | 94 | 113.6 Ų | 113.6 | 58% | 0.577 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.4 | -40.1 | 177.3 | -59 | 0 | 0 | 0 | 0 | 111.6 | R141 R142 V143 H149 | R141-T145 WeakPolarHBondContact O-CB 3.47Å; R141-T145 PolarHBondContact O-N 2.98Å; R141-T145 PolarHBondContact O-OG1 3.4Å; R142-T145 PolarHBondContact O-N 3.24Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.03Å; T145-H149 WeakPolarHBondContact O-CB 3.31Å; T145-H149 PolarHBondContact O-N 3.4Å |
| 146 | E | 78.6 | Confident | 82 | Confident | 96 Ų | 96 | 112.8 Ų | 112.8 | 45% | 0.449 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 174.8 | -81.6 | 177.6 | 160.6 | 0 | 0 | 111.6 | R142 V143 N148 H149 H150 | R142-E146 PolarHBondContact O-N 3.27Å; V143-E146 PolarHBondContact O-N 3.1Å; E146-N148 VanDerWaalsContact C-N 3.34Å; E146-N148 PolarHBondContact O-N 3Å; E146-H149 WeakPolarHBondContact O-CB 3.36Å; E146-H149 PolarHBondContact O-N 3.22Å; E146-H149 VanDerWaalsContact O-N 3.1Å; E146-H150 PolarHBondContact O-CD2 3.48Å; E146-H150 PolarHBondContact O-N 3.49Å |
| 147 | I | 79.1 | Confident | 81.6 | Confident | 89 Ų | 89 | 119.7 Ų | 119.7 | 46% | 0.456 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -56.7 | -48.9 | 177.2 | -66.4 | 167 | 0 | 0 | 0 | 110.5 | V143 H149 H150 D151 | V143-I147 HydrophobicContact CG1-CD1 3.77Å; V143-I147 HydrophobicContact CG1-CG1 4.46Å; V143-I147 VanDerWaalsContact O-CG1 3.3Å; V143-I147 WeakPolarHBondContact O-CG1 3.38Å; V143-I147 PolarHBondContact O-N 3.04Å; I147-H149 VanDerWaalsContact C-N 3.26Å; I147-H149 PolarHBondContact O-N 3.47Å; I147-H150 PolarHBondContact O-N 2.84Å; I147-D151 PolarHBondContact O-N 2.99Å |
| 148 | N | 70.4 | Confident | 81.2 | Confident | 98 Ų | 98 | 118.8 Ų | 118.8 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.4 | -33.5 | 178.6 | -73.5 | -26.2 | 0 | 0 | 0 | 113.1 | T144 E146 K152 | T144-N148 WeakPolarHBondContact O-CB 3.42Å; T144-N148 PolarHBondContact O-N 3.4Å; T144-N148 PolarHBondContact O-ND2 2.98Å; T144-N148 VanDerWaalsContact O-ND2 3.13Å; E146-N148 VanDerWaalsContact C-N 3.34Å; E146-N148 PolarHBondContact O-N 3Å; N148-K152 WeakPolarHBondContact O-CG 3.37Å; N148-K152 PolarHBondContact O-N 3.31Å |
| 149 | H | 76.6 | Confident | 80.9 | Confident | 114 Ų | 114 | 117.4 Ų | 117.4 | 53% | 0.528 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.3 | -42.7 | 176.6 | -175.8 | -104.4 | 0 | 0 | 0 | 111.6 | T145 E146 I147 D151 K152 I153 | T145-H149 WeakPolarHBondContact O-CB 3.31Å; T145-H149 PolarHBondContact O-N 3.4Å; E146-H149 WeakPolarHBondContact O-CB 3.36Å; E146-H149 PolarHBondContact O-N 3.22Å; E146-H149 VanDerWaalsContact O-N 3.1Å; I147-H149 VanDerWaalsContact C-N 3.26Å; I147-H149 PolarHBondContact O-N 3.47Å; H149-D151 PolarHBondContact O-N 2.89Å; H149-K152 PolarHBondContact O-N 3.05Å; H149-I153 WeakPolarHBondContact CE1-CD1 3.41Å; H149-I153 WeakPolarHBondContact ND1-CD1 3.37Å; H149-I153 WeakPolarHBondContact O-CG1 3.49Å; H149-I153 PolarHBondContact O-N 2.93Å |
| 150 | H | 73.6 | Confident | 80.9 | Confident | 120 Ų | 120 | 110.4 Ų | 110.4 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.2 | -42.1 | 175.6 | -76.2 | -67.9 | 0 | 0 | 0 | 112.2 | E146 I147 I153 N154 | E146-H150 PolarHBondContact O-CD2 3.48Å; E146-H150 PolarHBondContact O-N 3.49Å; I147-H150 PolarHBondContact O-N 2.84Å; H150-I153 PolarHBondContact O-N 3.36Å; H150-N154 WeakPolarHBondContact O-CB 3.18Å; H150-N154 PolarHBondContact O-N 3.36Å |
| 151 | D | 72.8 | Confident | 81 | Confident | 97 Ų | 97 | 111.7 Ų | 111.7 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 178 | -72.8 | -24.5 | 0 | 0 | 0 | 112.3 | I147 H149 N154 G155 | I147-D151 PolarHBondContact O-N 2.99Å; H149-D151 PolarHBondContact O-N 2.89Å; D151-N154 PolarHBondContact O-N 3.32Å; D151-G155 PolarHBondContact O-N 3.02Å |
| 152 | K | 78.4 | Confident | 81.1 | Confident | 151 Ų | 151 | 110 Ų | 110 | 66% | 0.657 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 174.6 | -77.8 | 178.8 | -179.9 | -177.3 | 0 | 112.2 | N148 H149 K156 | N148-K152 WeakPolarHBondContact O-CG 3.37Å; N148-K152 PolarHBondContact O-N 3.31Å; H149-K152 PolarHBondContact O-N 3.05Å; K152-K156 WeakPolarHBondContact O-CG 3.39Å; K152-K156 PolarHBondContact O-N 3.18Å |
| 153 | I | 79.3 | Confident | 81.4 | Confident | 85 Ų | 85 | 107.4 Ų | 107.4 | 44% | 0.436 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 176.5 | -70 | 173.7 | 0 | 0 | 0 | 110.5 | H149 H150 G155 K156 R157 | H149-I153 WeakPolarHBondContact CE1-CD1 3.41Å; H149-I153 WeakPolarHBondContact ND1-CD1 3.37Å; H149-I153 WeakPolarHBondContact O-CG1 3.49Å; H149-I153 PolarHBondContact O-N 2.93Å; H150-I153 PolarHBondContact O-N 3.36Å; I153-G155 PolarHBondContact O-N 3.01Å; I153-K156 PolarHBondContact O-N 3.38Å; I153-R157 WeakPolarHBondContact O-CB 3.46Å; I153-R157 PolarHBondContact O-N 2.99Å |
| 154 | N | 80.2 | Confident | 81.9 | Confident | 75 Ų | 75 | 111 Ų | 111 | 40% | 0.401 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 179.9 | -165.9 | 20.6 | 0 | 0 | 0 | 111.5 | H150 D151 R157 K158 | H150-N154 WeakPolarHBondContact O-CB 3.18Å; H150-N154 PolarHBondContact O-N 3.36Å; D151-N154 PolarHBondContact O-N 3.32Å; N154-R157 PolarHBondContact O-N 3.05Å; N154-K158 WeakPolarHBondContact O-CG 3.45Å; N154-K158 PolarHBondContact O-N 3.24Å |
| 155 | G | 83.2 | Confident | 82.8 | Confident | 33 Ų | 33 | 112.6 Ų | 112.6 | 34% | 0.34 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.4 | -51.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D151 I153 R157 K158 T159 | D151-G155 PolarHBondContact O-N 3.02Å; I153-G155 PolarHBondContact O-N 3.01Å; G155-R157 VanDerWaalsContact C-N 3.33Å; G155-R157 PolarHBondContact O-N 3.49Å; G155-K158 PolarHBondContact O-N 3.33Å; G155-T159 PolarHBondContact O-N 3.4Å; G155-T159 PolarHBondContact O-OG1 2.95Å; G155-T159 VanDerWaalsContact O-OG1 3.11Å |
| 156 | K | 83.7 | Confident | 83.3 | Confident | 162 Ų | 162 | 114.4 Ų | 114.4 | 70% | 0.704 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.7 | -42.4 | 176.9 | -73.7 | -179.5 | 177.8 | -173.6 | 0 | 112.4 | K152 I153 K158 T159 A160 | K152-K156 WeakPolarHBondContact O-CG 3.39Å; K152-K156 PolarHBondContact O-N 3.18Å; I153-K156 PolarHBondContact O-N 3.38Å; K156-K158 PolarHBondContact O-N 2.94Å; K156-T159 PolarHBondContact O-N 2.95Å; K156-A160 WeakPolarHBondContact O-CB 3.5Å; K156-A160 PolarHBondContact O-N 3.35Å |
| 157 | R | 81.6 | Confident | 84.1 | Confident | 195 Ų | 195 | 115.9 Ų | 115.9 | 74% | 0.736 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.4 | -41.2 | 178.5 | -169.5 | 177.4 | -176.7 | 178.2 | 1.1 | 112.1 | I153 N154 G155 R161 | I153-R157 WeakPolarHBondContact O-CB 3.46Å; I153-R157 PolarHBondContact O-N 2.99Å; N154-R157 PolarHBondContact O-N 3.05Å; G155-R157 VanDerWaalsContact C-N 3.33Å; G155-R157 PolarHBondContact O-N 3.49Å; R157-R161 WeakPolarHBondContact O-CB 3.46Å; R157-R161 PolarHBondContact O-N 2.94Å |
| 158 | K | 83.9 | Confident | 84.8 | Confident | 130 Ų | 130 | 120.1 Ų | 120.1 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.6 | -43.3 | 175.8 | -73 | 177.8 | -178.7 | -179.1 | 0 | 111.7 | N154 G155 K156 R161 K162 | N154-K158 WeakPolarHBondContact O-CG 3.45Å; N154-K158 PolarHBondContact O-N 3.24Å; G155-K158 PolarHBondContact O-N 3.33Å; K156-K158 PolarHBondContact O-N 2.94Å; K158-R161 PolarHBondContact O-N 3.11Å; K158-K162 PolarHBondContact O-N 3.21Å |
| 159 | T | 85.8 | Confident | 86 | Confident | 80 Ų | 80 | 118 Ų | 118 | 49% | 0.491 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.9 | -45.9 | 177.4 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | G155 K156 R161 K162 Q163 | G155-T159 PolarHBondContact O-N 3.4Å; G155-T159 PolarHBondContact O-OG1 2.95Å; G155-T159 VanDerWaalsContact O-OG1 3.11Å; K156-T159 PolarHBondContact O-N 2.95Å; T159-R161 VanDerWaalsContact C-N 3.32Å; T159-R161 PolarHBondContact O-N 3.34Å; T159-K162 PolarHBondContact O-N 3.04Å; T159-Q163 PolarHBondContact O-N 3.38Å |
| 160 | A | 88.8 | Confident | 86.9 | Confident | 45 Ų | 45 | 116.7 Ų | 116.7 | 37% | 0.372 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | K156 Q163 K164 | K156-A160 WeakPolarHBondContact O-CB 3.5Å; K156-A160 PolarHBondContact O-N 3.35Å; A160-Q163 PolarHBondContact O-N 3.47Å; A160-K164 WeakPolarHBondContact O-CG 3.45Å; A160-K164 PolarHBondContact O-N 3.02Å |
| 161 | R | 90.7 | Very high | 87.9 | Confident | 184 Ų | 184 | 115.7 Ų | 115.7 | 69% | 0.694 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 175.8 | -166.5 | 179.1 | 178.3 | 174.5 | 0 | 111.7 | R157 K158 T159 K164 M165 | R157-R161 WeakPolarHBondContact O-CB 3.46Å; R157-R161 PolarHBondContact O-N 2.94Å; K158-R161 PolarHBondContact O-N 3.11Å; T159-R161 VanDerWaalsContact C-N 3.32Å; T159-R161 PolarHBondContact O-N 3.34Å; R161-K164 PolarHBondContact O-N 3.47Å; R161-M165 HydrophobicContact CG-CE 4.16Å; R161-M165 WeakPolarHBondContact O-CG 3.47Å; R161-M165 PolarHBondContact O-N 3.28Å |
| 162 | K | 90.4 | Very high | 88.9 | Confident | 153 Ų | 153 | 116.5 Ų | 116.5 | 67% | 0.665 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.4 | -45.8 | 174.3 | -81 | -173.3 | 174.4 | -174 | 0 | 111.9 | K158 T159 K164 M165 F166 | K158-K162 PolarHBondContact O-N 3.21Å; T159-K162 PolarHBondContact O-N 3.04Å; K162-K164 PolarHBondContact O-N 3.43Å; K162-M165 PolarHBondContact O-N 2.92Å; K162-F166 WeakPolarHBondContact O-CB 3.4Å; K162-F166 PolarHBondContact O-N 3.27Å |
| 163 | Q | 91.2 | Very high | 89.6 | Confident | 120 Ų | 120 | 118.1 Ų | 118.1 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.4 | -44.2 | 177.4 | -76 | 178.5 | -22.6 | 0 | 0 | 112.2 | T159 A160 M165 F166 Q167 | T159-Q163 PolarHBondContact O-N 3.38Å; A160-Q163 PolarHBondContact O-N 3.47Å; Q163-M165 PolarHBondContact O-N 3.45Å; Q163-F166 PolarHBondContact O-N 3.04Å; Q163-Q167 WeakPolarHBondContact O-CG 3.43Å; Q163-Q167 PolarHBondContact O-N 3.03Å |
| 164 | K | 94.6 | Very high | 90.3 | Very high | 139 Ų | 139 | 122.1 Ų | 122.1 | 60% | 0.604 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.8 | -40.5 | 175.9 | -75.3 | -175.7 | 178.2 | -173.7 | 0 | 113 | A160 R161 K162 R168 | A160-K164 WeakPolarHBondContact O-CG 3.45Å; A160-K164 PolarHBondContact O-N 3.02Å; R161-K164 PolarHBondContact O-N 3.47Å; K162-K164 PolarHBondContact O-N 3.43Å; K164-R168 WeakPolarHBondContact O-CG 3.4Å; K164-R168 PolarHBondContact O-N 3.5Å |
| 165 | M | 94.1 | Very high | 90.8 | Very high | 104 Ų | 104 | 125.9 Ų | 125.9 | 51% | 0.512 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.5 | -39.9 | 176.2 | -72.5 | -173.1 | -63.5 | 0 | 0 | 111.6 | R161 K162 Q163 R168 A169 | R161-M165 HydrophobicContact CG-CE 4.16Å; R161-M165 WeakPolarHBondContact O-CG 3.47Å; R161-M165 PolarHBondContact O-N 3.28Å; K162-M165 PolarHBondContact O-N 2.92Å; Q163-M165 PolarHBondContact O-N 3.45Å; M165-R168 PolarHBondContact O-N 2.97Å; M165-A169 WeakPolarHBondContact O-CB 3.47Å; M165-A169 PolarHBondContact O-N 3.28Å |
| 166 | F | 93.1 | Very high | 91.2 | Very high | 132 Ų | 132 | 127.3 Ų | 127.3 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.7 | -45 | 176.6 | -171.5 | -101.8 | 0 | 0 | 0 | 112.1 | K162 Q163 R168 A169 Q170 | K162-F166 WeakPolarHBondContact O-CB 3.4Å; K162-F166 PolarHBondContact O-N 3.27Å; Q163-F166 PolarHBondContact O-N 3.04Å; F166-R168 PolarHBondContact O-N 3.03Å; F166-A169 PolarHBondContact O-N 3.44Å; F166-Q170 HydrophobicContact CD1-CG 4.44Å; F166-Q170 HydrophobicContact CE1-CG 4.17Å; F166-Q170 HydrophobicContact CZ-CG 4.46Å; F166-Q170 WeakPolarHBondContact O-CG 3.49Å; F166-Q170 PolarHBondContact O-N 3.04Å |
| 167 | Q | 94.8 | Very high | 91.6 | Very high | 127 Ų | 127 | 124.8 Ų | 124.8 | 59% | 0.593 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.9 | -45.7 | 174.4 | -75.8 | 177.3 | -15.9 | 0 | 0 | 112.1 | Q163 A169 Q170 E171 | Q163-Q167 WeakPolarHBondContact O-CG 3.43Å; Q163-Q167 PolarHBondContact O-N 3.03Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-A169 PolarHBondContact O-N 2.91Å; Q167-Q170 PolarHBondContact O-N 3.02Å; Q167-E171 PolarHBondContact O-N 2.99Å |
| 168 | R | 94.4 | Very high | 92 | Very high | 178 Ų | 178 | 119.7 Ų | 119.7 | 67% | 0.672 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.2 | -39.7 | 176.3 | -76.3 | -179 | 179 | -171.7 | -2 | 112.7 | K164 M165 F166 Q170 E171 L172 | K164-R168 WeakPolarHBondContact O-CG 3.4Å; K164-R168 PolarHBondContact O-N 3.5Å; M165-R168 PolarHBondContact O-N 2.97Å; F166-R168 PolarHBondContact O-N 3.03Å; R168-Q170 VanDerWaalsContact C-N 3.35Å; R168-E171 PolarHBondContact O-N 3.24Å; R168-L172 WeakPolarHBondContact O-CG 3.48Å; R168-L172 PolarHBondContact O-N 3.41Å |
| 169 | A | 94.8 | Very high | 92.3 | Very high | 53 Ų | 53 | 120.9 Ų | 120.9 | 44% | 0.438 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.4 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | M165 F166 Q167 L172 R173 | M165-A169 WeakPolarHBondContact O-CB 3.47Å; M165-A169 PolarHBondContact O-N 3.28Å; F166-A169 PolarHBondContact O-N 3.44Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-A169 PolarHBondContact O-N 2.91Å; A169-L172 PolarHBondContact O-N 3.49Å; A169-R173 PolarHBondContact O-N 3.39Å |
| 170 | Q | 94.8 | Very high | 92.2 | Very high | 88 Ų | 88 | 122.9 Ų | 122.9 | 41% | 0.411 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65 | -40.6 | 173.5 | -74.7 | -174.1 | -30.4 | 0 | 0 | 112.3 | F166 Q167 R168 R173 R174 | F166-Q170 HydrophobicContact CD1-CG 4.44Å; F166-Q170 HydrophobicContact CE1-CG 4.17Å; F166-Q170 HydrophobicContact CZ-CG 4.46Å; F166-Q170 WeakPolarHBondContact O-CG 3.49Å; F166-Q170 PolarHBondContact O-N 3.04Å; Q167-Q170 PolarHBondContact O-N 3.02Å; R168-Q170 VanDerWaalsContact C-N 3.35Å; Q170-R173 WeakPolarHBondContact O-CB 3.37Å; Q170-R173 PolarHBondContact O-N 3.32Å; Q170-R174 PolarHBondContact O-N 2.94Å |
| 171 | E | 94.8 | Very high | 92 | Very high | 98 Ų | 98 | 127.5 Ų | 127.5 | 46% | 0.458 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.2 | -41.7 | 177 | -167.5 | -179.9 | 169 | 0 | 0 | 112 | Q167 R168 R173 R174 R175 | Q167-E171 PolarHBondContact O-N 2.99Å; R168-E171 PolarHBondContact O-N 3.24Å; E171-R173 VanDerWaalsContact C-N 3.34Å; E171-R173 PolarHBondContact O-N 3.4Å; E171-R174 PolarHBondContact O-N 2.97Å; E171-R175 WeakPolarHBondContact O-CG 3.39Å; E171-R175 PolarHBondContact O-N 3.34Å; E171-R175 IonicContact OE1-CZ 3.55Å; E171-R175 IonicContact OE1-NE 3.73Å; E171-R175 IonicContact OE1-NH2 2.73Å; E171-R175 PolarHBondContact OE1-NH2 3.18Å |
| 172 | L | 95.4 | Very high | 91.6 | Very high | 114 Ų | 114 | 122.8 Ų | 122.8 | 60% | 0.597 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.1 | -40.3 | 173.9 | -73.8 | 171.6 | 0 | 0 | 0 | 112.2 | R168 A169 R175 A176 | R168-L172 WeakPolarHBondContact O-CG 3.48Å; R168-L172 PolarHBondContact O-N 3.41Å; A169-L172 PolarHBondContact O-N 3.49Å; L172-R175 PolarHBondContact O-N 3.48Å; L172-A176 WeakPolarHBondContact O-CB 3.42Å; L172-A176 PolarHBondContact O-N 3.27Å |
| 173 | R | 92.9 | Very high | 91 | Very high | 185 Ų | 185 | 120.1 Ų | 120.1 | 70% | 0.698 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.2 | -48.5 | 172.9 | -92.1 | -174.5 | 170.5 | -179.3 | -3.7 | 111.8 | A169 Q170 E171 R175 A176 E177 | A169-R173 PolarHBondContact O-N 3.39Å; Q170-R173 WeakPolarHBondContact O-CB 3.37Å; Q170-R173 PolarHBondContact O-N 3.32Å; E171-R173 VanDerWaalsContact C-N 3.34Å; E171-R173 PolarHBondContact O-N 3.4Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 2.88Å; R173-A176 PolarHBondContact O-N 2.94Å; R173-E177 WeakPolarHBondContact O-CG 3.48Å; R173-E177 PolarHBondContact O-N 2.73Å |
| 174 | R | 92.5 | Very high | 90.3 | Very high | 170 Ų | 170 | 117.6 Ų | 117.6 | 64% | 0.642 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58.9 | -44.7 | 177.5 | -71.8 | -179 | -176.8 | 175.8 | 0.5 | 112 | Q170 E171 A176 E177 D178 | Q170-R174 PolarHBondContact O-N 2.94Å; E171-R174 PolarHBondContact O-N 2.97Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A176 PolarHBondContact O-N 3.42Å; R174-E177 PolarHBondContact O-N 2.94Å; R174-D178 WeakPolarHBondContact O-CB 3.48Å; R174-D178 VanDerWaalsContact O-CG 3.3Å; R174-D178 PolarHBondContact O-N 3.45Å |
| 175 | R | 92.1 | Very high | 89.2 | Confident | 154 Ų | 154 | 121 Ų | 121 | 58% | 0.581 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.9 | -37.6 | 176.8 | -71.3 | -175.1 | -168.8 | 176.5 | 3.8 | 113 | E171 L172 R173 Y179 | E171-R175 WeakPolarHBondContact O-CG 3.39Å; E171-R175 PolarHBondContact O-N 3.34Å; E171-R175 IonicContact OE1-CZ 3.55Å; E171-R175 IonicContact OE1-NE 3.73Å; E171-R175 IonicContact OE1-NH2 2.73Å; E171-R175 PolarHBondContact OE1-NH2 3.18Å; L172-R175 PolarHBondContact O-N 3.48Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 2.88Å; R175-Y179 WeakPolarHBondContact O-CB 3.47Å; R175-Y179 PolarHBondContact O-N 3.38Å |
| 176 | A | 91.8 | Very high | 88 | Confident | 62 Ų | 62 | 120.3 Ų | 120.3 | 51% | 0.512 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.2 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L172 R173 R174 Y179 H180 | L172-A176 WeakPolarHBondContact O-CB 3.42Å; L172-A176 PolarHBondContact O-N 3.27Å; R173-A176 PolarHBondContact O-N 2.94Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A176 PolarHBondContact O-N 3.42Å; A176-Y179 PolarHBondContact O-N 2.97Å; A176-H180 WeakPolarHBondContact O-CB 3.31Å; A176-H180 PolarHBondContact O-N 3.27Å |
| 177 | E | 91.3 | Very high | 86.7 | Confident | 110 Ų | 110 | 121.4 Ų | 121.4 | 51% | 0.514 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.7 | -43.7 | 173.9 | -72.5 | 169.9 | -159.3 | 0 | 0 | 111.7 | R173 R174 H180 K181 | R173-E177 WeakPolarHBondContact O-CG 3.48Å; R173-E177 PolarHBondContact O-N 2.73Å; R174-E177 PolarHBondContact O-N 2.94Å; E177-H180 PolarHBondContact O-N 2.89Å; E177-K181 WeakPolarHBondContact O-CG 3.35Å; E177-K181 PolarHBondContact O-N 3.26Å |
| 178 | D | 90.6 | Very high | 85 | Confident | 87 Ų | 87 | 121 Ų | 121 | 47% | 0.465 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.3 | -43.1 | 176.9 | -71 | -24.2 | 0 | 0 | 0 | 111.6 | R174 H180 K181 C182 | R174-D178 WeakPolarHBondContact O-CB 3.48Å; R174-D178 VanDerWaalsContact O-CG 3.3Å; R174-D178 PolarHBondContact O-N 3.45Å; D178-H180 VanDerWaalsContact C-N 3.29Å; D178-H180 PolarHBondContact O-N 3.28Å; D178-K181 PolarHBondContact O-N 3.4Å; D178-C182 WeakPolarHBondContact O-CB 3.49Å; D178-C182 PolarHBondContact O-N 3.38Å; D178-C182 PolarHBondContact O-SG 2.89Å; D178-C182 VanDerWaalsContact O-SG 3.38Å |
| 179 | Y | 88.6 | Confident | 83.3 | Confident | 156 Ų | 156 | 117.7 Ų | 117.7 | 61% | 0.612 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.3 | -42.9 | 172.9 | 178.7 | -96.9 | 0 | 0 | 0 | 111.3 | R175 A176 K183 | R175-Y179 WeakPolarHBondContact O-CB 3.47Å; R175-Y179 PolarHBondContact O-N 3.38Å; A176-Y179 PolarHBondContact O-N 2.97Å; Y179-K183 HydrophobicContact CE1-CD 4.1Å; Y179-K183 VanDerWaalsContact O-CB 3.29Å; Y179-K183 WeakPolarHBondContact O-CB 3.35Å; Y179-K183 PolarHBondContact O-N 3.45Å |
| 180 | H | 85.1 | Confident | 81.7 | Confident | 122 Ų | 122 | 119.7 Ų | 119.7 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.9 | -43.6 | 177.4 | -168.1 | 25.4 | 0 | 0 | 0 | 112.2 | A176 E177 D178 K183 V184 | A176-H180 WeakPolarHBondContact O-CB 3.31Å; A176-H180 PolarHBondContact O-N 3.27Å; E177-H180 PolarHBondContact O-N 2.89Å; D178-H180 VanDerWaalsContact C-N 3.29Å; D178-H180 PolarHBondContact O-N 3.28Å; H180-K183 PolarHBondContact O-N 2.87Å; H180-V184 WeakPolarHBondContact O-CG2 3.46Å; H180-V184 PolarHBondContact O-N 2.88Å |
| 181 | K | 83.6 | Confident | 80 | Confident | 141 Ų | 141 | 122.2 Ų | 122.2 | 61% | 0.613 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.9 | -46.4 | 174.9 | -78.9 | 179.3 | 179.9 | 173.8 | 0 | 112.3 | E177 D178 K183 V184 R185 | E177-K181 WeakPolarHBondContact O-CG 3.35Å; E177-K181 PolarHBondContact O-N 3.26Å; D178-K181 PolarHBondContact O-N 3.4Å; K181-K183 VanDerWaalsContact C-N 3.3Å; K181-K183 PolarHBondContact O-N 3.25Å; K181-V184 PolarHBondContact O-N 2.97Å; K181-R185 VanDerWaalsContact O-CB 3.31Å; K181-R185 WeakPolarHBondContact O-CB 3.29Å; K181-R185 PolarHBondContact O-N 2.92Å |
| 182 | C | 82.9 | Confident | 77.8 | Confident | 86 Ų | 86 | 121.8 Ų | 121.8 | 58% | 0.581 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.3 | -41.4 | 176.4 | -72.5 | 0 | 0 | 0 | 0 | 111.4 | D178 R185 S186 | D178-C182 WeakPolarHBondContact O-CB 3.49Å; D178-C182 PolarHBondContact O-N 3.38Å; D178-C182 PolarHBondContact O-SG 2.89Å; D178-C182 VanDerWaalsContact O-SG 3.38Å; C182-R185 PolarHBondContact O-N 3.25Å; C182-S186 PolarHBondContact O-N 3.45Å; C182-S186 PolarHBondContact O-OG 3.26Å |
| 183 | K | 77.9 | Confident | 75.5 | Confident | 96 Ų | 96 | 123.5 Ų | 123.5 | 42% | 0.417 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -64.8 | -45.4 | 177.3 | -169.6 | 165 | -173.4 | 176.8 | 0 | 111.9 | Y179 H180 K181 R185 S186 F187 | Y179-K183 HydrophobicContact CE1-CD 4.1Å; Y179-K183 VanDerWaalsContact O-CB 3.29Å; Y179-K183 WeakPolarHBondContact O-CB 3.35Å; Y179-K183 PolarHBondContact O-N 3.45Å; H180-K183 PolarHBondContact O-N 2.87Å; K181-K183 VanDerWaalsContact C-N 3.3Å; K181-K183 PolarHBondContact O-N 3.25Å; K183-R185 VanDerWaalsContact C-N 3.35Å; K183-R185 PolarHBondContact O-N 3.1Å; K183-S186 WeakPolarHBondContact CA-OG 2.97Å; K183-S186 PolarHBondContact O-N 3.4Å; K183-S186 PolarHBondContact O-OG 2.95Å; K183-F187 HydrophobicContact CD-CE2 4.49Å; K183-F187 HydrophobicContact CG-CD2 4.22Å; K183-F187 HydrophobicContact CG-CE2 3.64Å; K183-F187 WeakPolarHBondContact O-CD2 3.44Å; K183-F187 PolarHBondContact O-N 3.48Å |
| 184 | V | 75.4 | Confident | 74.6 | Confident | 68 Ų | 68 | 120.4 Ų | 120.4 | 41% | 0.412 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -62.8 | -42.3 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | H180 K181 S186 F187 L188 | H180-V184 WeakPolarHBondContact O-CG2 3.46Å; H180-V184 PolarHBondContact O-N 2.88Å; K181-V184 PolarHBondContact O-N 2.97Å; V184-S186 VanDerWaalsContact C-N 3.29Å; V184-S186 PolarHBondContact O-N 3.37Å; V184-F187 PolarHBondContact O-N 3.37Å; V184-F187 VanDerWaalsContact O-N 3.1Å; V184-L188 HydrophobicContact CG1-CD1 4.14Å; V184-L188 PolarHBondContact O-N 3.33Å |
| 185 | R | 72.1 | Confident | 73.7 | Confident | 209 Ų | 209 | 117.8 Ų | 117.8 | 79% | 0.789 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -62.7 | -33 | 176.6 | -168.1 | 175.2 | -169.6 | 175.7 | 3.5 | 112.8 | K181 C182 K183 F187 | K181-R185 VanDerWaalsContact O-CB 3.31Å; K181-R185 WeakPolarHBondContact O-CB 3.29Å; K181-R185 PolarHBondContact O-N 2.92Å; C182-R185 PolarHBondContact O-N 3.25Å; K183-R185 VanDerWaalsContact C-N 3.35Å; K183-R185 PolarHBondContact O-N 3.1Å; R185-F187 VanDerWaalsContact C-N 3.27Å; R185-F187 PolarHBondContact O-N 2.67Å |
| 186 | S | 68.7 | Low | 72.6 | Confident | 90 Ų | 90 | 115.8 Ų | 115.8 | 63% | 0.629 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72.6 | -16.4 | 175.2 | 58.3 | 0 | 0 | 0 | 0 | 114.5 | C182 K183 V184 | C182-S186 PolarHBondContact O-N 3.45Å; C182-S186 PolarHBondContact O-OG 3.26Å; K183-S186 WeakPolarHBondContact CA-OG 2.97Å; K183-S186 PolarHBondContact O-N 3.4Å; K183-S186 PolarHBondContact O-OG 2.95Å; V184-S186 VanDerWaalsContact C-N 3.29Å; V184-S186 PolarHBondContact O-N 3.37Å |
| 187 | F | 66.1 | Low | 71.5 | Confident | 156 Ų | 156 | 118.9 Ų | 118.9 | 68% | 0.684 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -98.5 | -13.2 | 177.1 | -70.3 | -65 | 0 | 0 | 0 | 113.8 | K183 V184 R185 | K183-F187 HydrophobicContact CD-CE2 4.49Å; K183-F187 HydrophobicContact CG-CD2 4.22Å; K183-F187 HydrophobicContact CG-CE2 3.64Å; K183-F187 WeakPolarHBondContact O-CD2 3.44Å; K183-F187 PolarHBondContact O-N 3.48Å; V184-F187 PolarHBondContact O-N 3.37Å; V184-F187 VanDerWaalsContact O-N 3.1Å; R185-F187 VanDerWaalsContact C-N 3.27Å; R185-F187 PolarHBondContact O-N 2.67Å |
| 188 | L | 60.2 | Low | 70.3 | Confident | 119 Ų | 119 | 119.5 Ų | 119.5 | 62% | 0.623 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -89.9 | 117.2 | 172.6 | -77.5 | 161.9 | 0 | 0 | 0 | 108.7 | V184 A190 | V184-L188 HydrophobicContact CG1-CD1 4.14Å; V184-L188 PolarHBondContact O-N 3.33Å; L188-A190 PolarHBondContact O-N 2.84Å |
| 189 | P | 57.6 | Low | 68.9 | Low | 107 Ų | 107 | 121.7 Ų | 121.7 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | trans | -60 | 133.8 | 173.7 | 24.6 | -30.4 | 0 | 0 | 0 | 108.3 | V191 | P189-V191 VanDerWaalsContact C-N 3.33Å; P189-V191 PolarHBondContact O-N 3.33Å | ||
| 190 | A | 62.1 | Low | 67.5 | Low | 96 Ų | 96 | 119.2 Ų | 119.2 | 79% | 0.793 | 71% | 0.709 | S | S | * | * | trans | -60.3 | 100.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | L188 A192 | L188-A190 PolarHBondContact O-N 2.84Å; A190-A192 PolarHBondContact O-N 2.86Å | ||
| 191 | V | 57.7 | Low | 66.1 | Low | 140 Ų | 140 | 119 Ų | 119 | 85% | 0.848 | 72% | 0.721 | S | S | * | * | trans | -71.2 | 84.6 | 164.1 | -178.4 | 0 | 0 | 0 | 0 | 105.1 | P189 | P189-V191 VanDerWaalsContact C-N 3.33Å; P189-V191 PolarHBondContact O-N 3.33Å | ||
| 192 | A | 50.2 | Low | 64.7 | Low | 89 Ų | 89 | 117.2 Ų | 117.2 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | trans | -70.5 | 120.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | A190 | A190-A192 PolarHBondContact O-N 2.86Š| ||
| 193 | G | 45.4 | Very low | 63 | Low | 150 Ų | 150 | 120 Ų | 120 | 100% | 1.546 | 74% | 0.743 | S | S | * | * | trans | -76.8 | 0 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.1 |
Retrieved 193 of 193 residues in 87.6 ms
(Link to these results)