| 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 | 48.7 | Very low | 66.8 | Low | 240 Ų | 240 | 120.7 Ų | 120.7 | 100% | 1.182 | 65% | 0.647 | S | S | * | * | 0 | 120.3 | 0 | -71.3 | 165.3 | 140.4 | 0 | 0 | 107.8 | I3 | M1-I3 PolarHBondContact O-N 3.08Š| |||
| 2 | K | 55.9 | Low | 67.3 | Low | 213 Ų | 213 | 119.6 Ų | 119.6 | 93% | 0.926 | 64% | 0.64 | S | S | * | * | trans | -81.6 | 106.2 | 179.1 | -84.9 | 166.3 | 168.3 | 173.5 | 0 | 108 | ||||
| 3 | I | 62.4 | Low | 67.9 | Low | 129 Ų | 129 | 116 Ų | 116 | 66% | 0.662 | 63% | 0.63 | S | S | * | * | trans | -70.3 | 125 | 174.5 | -56.9 | 169.5 | 0 | 0 | 0 | 106.7 | M1 I5 V8 | M1-I3 PolarHBondContact O-N 3.08Å; I3-I5 PolarHBondContact O-N 3.05Å; I3-V8 HydrophobicContact CG2-CG2 3.83Å | ||
| 4 | P | 62.6 | Low | 68.2 | Low | 84 Ų | 84 | 115.1 Ų | 115.1 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | trans | -61.9 | 121.4 | 175.8 | 23.9 | -30.5 | 0 | 0 | 0 | 108.5 | L6 P7 | P4-L6 PolarHBondContact O-N 3.31Å; P4-P7 HydrophobicContact CB-CG 3.93Å; P4-P7 HydrophobicContact CG-CG 3.63Å; P4-P7 WeakPolarHBondContact O-CD 3.17Å; P4-P7 WeakPolarHBondContact O-CG 3.35Å | ||
| 5 | I | 68.4 | Low | 68.6 | Low | 136 Ų | 136 | 115.4 Ų | 115.4 | 70% | 0.697 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.7 | -29.5 | -175 | -63.4 | 163 | 0 | 0 | 0 | 110.7 | I3 V8 V9 | I3-I5 PolarHBondContact O-N 3.05Å; I5-V8 PolarHBondContact O-N 3.16Å; I5-V9 HydrophobicContact CG2-CG2 4.1Å; I5-V9 WeakPolarHBondContact O-CG2 3.22Å; I5-V9 PolarHBondContact O-N 2.89Å |
| 6 | L | 63.8 | Low | 68.7 | Low | 147 Ų | 147 | 112.3 Ų | 112.3 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59.5 | -51.1 | -176.6 | -159.6 | 68.9 | 0 | 0 | 0 | 114.1 | P4 V8 V9 A10 | P4-L6 PolarHBondContact O-N 3.31Å; L6-V8 VanDerWaalsContact C-N 3.3Å; L6-V8 PolarHBondContact O-N 3.42Å; L6-V9 PolarHBondContact O-N 2.61Å; L6-A10 PolarHBondContact O-N 3.48Å |
| 7 | P | 71.8 | Confident | 68.5 | Low | 60 Ų | 60 | 109.9 Ų | 109.9 | 39% | 0.39 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.8 | -31 | 175.5 | 21.9 | -32.8 | 0 | 0 | 0 | 113.2 | P4 A10 L11 | P4-P7 HydrophobicContact CB-CG 3.93Å; P4-P7 HydrophobicContact CG-CG 3.63Å; P4-P7 WeakPolarHBondContact O-CD 3.17Å; P4-P7 WeakPolarHBondContact O-CG 3.35Å; P7-A10 PolarHBondContact O-N 3.18Å; P7-L11 WeakPolarHBondContact O-CB 3.45Å; P7-L11 WeakPolarHBondContact O-CG 3.15Å; P7-L11 PolarHBondContact O-N 3.22Å |
| 8 | V | 75.7 | Confident | 68 | Low | 67 Ų | 67 | 110.8 Ų | 110.8 | 41% | 0.406 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65 | -43.6 | 177.4 | -180 | 0 | 0 | 0 | 0 | 110.7 | I3 I5 L6 L11 L12 | I3-V8 HydrophobicContact CG2-CG2 3.83Å; I5-V8 PolarHBondContact O-N 3.16Å; L6-V8 VanDerWaalsContact C-N 3.3Å; L6-V8 PolarHBondContact O-N 3.42Å; V8-L11 PolarHBondContact O-N 3.13Å; V8-L12 HydrophobicContact CG1-CD1 4.23Å; V8-L12 PolarHBondContact O-N 2.86Å |
| 9 | V | 76.1 | Confident | 67.6 | Low | 79 Ų | 79 | 108.9 Ų | 108.9 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.3 | -42.4 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 111 | I5 L6 L11 L12 S13 | I5-V9 HydrophobicContact CG2-CG2 4.1Å; I5-V9 WeakPolarHBondContact O-CG2 3.22Å; I5-V9 PolarHBondContact O-N 2.89Å; L6-V9 PolarHBondContact O-N 2.61Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 PolarHBondContact O-N 3.06Å; V9-L12 PolarHBondContact O-N 3.25Å; V9-S13 PolarHBondContact O-N 3.5Å; V9-S13 PolarHBondContact O-OG 3.04Å |
| 10 | A | 74.5 | Confident | 67.1 | Low | 52 Ų | 52 | 108.2 Ų | 108.2 | 43% | 0.43 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.5 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L6 P7 S13 L14 | L6-A10 PolarHBondContact O-N 3.48Å; P7-A10 PolarHBondContact O-N 3.18Å; A10-S13 PolarHBondContact O-N 3.5Å; A10-L14 PolarHBondContact O-N 3.4Å |
| 11 | L | 74.9 | Confident | 66.6 | Low | 121 Ų | 121 | 109.8 Ų | 109.8 | 63% | 0.634 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.8 | -39.8 | 177 | -70.9 | 170.5 | 0 | 0 | 0 | 112.1 | P7 V8 V9 L14 L15 | P7-L11 WeakPolarHBondContact O-CB 3.45Å; P7-L11 WeakPolarHBondContact O-CG 3.15Å; P7-L11 PolarHBondContact O-N 3.22Å; V8-L11 PolarHBondContact O-N 3.13Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 PolarHBondContact O-N 3.06Å; L11-L14 PolarHBondContact O-N 3.46Å; L11-L15 VanDerWaalsContact O-CB 3.32Å; L11-L15 WeakPolarHBondContact O-CB 3.29Å; L11-L15 PolarHBondContact O-N 3.24Å |
| 12 | L | 73 | Confident | 66.9 | Low | 107 Ų | 107 | 101.8 Ų | 101.8 | 56% | 0.56 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.9 | -40.3 | 174.2 | -85.3 | 161.4 | 0 | 0 | 0 | 112.1 | V8 V9 L15 A16 | V8-L12 HydrophobicContact CG1-CD1 4.23Å; V8-L12 PolarHBondContact O-N 2.86Å; V9-L12 PolarHBondContact O-N 3.25Å; L12-L15 PolarHBondContact O-N 3.39Å; L12-A16 WeakPolarHBondContact O-CB 3.34Å; L12-A16 PolarHBondContact O-N 2.93Å |
| 13 | S | 74.9 | Confident | 66.6 | Low | 73 Ų | 73 | 96.2 Ų | 96.2 | 51% | 0.51 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.7 | -43.2 | 175.1 | -63.3 | 0 | 0 | 0 | 0 | 112.4 | V9 A10 A16 L17 | V9-S13 PolarHBondContact O-N 3.5Å; V9-S13 PolarHBondContact O-OG 3.04Å; A10-S13 PolarHBondContact O-N 3.5Å; S13-A16 PolarHBondContact O-N 2.89Å; S13-L17 WeakPolarHBondContact O-CB 3.43Å; S13-L17 PolarHBondContact O-N 3.34Å |
| 14 | L | 72.6 | Confident | 66.2 | Low | 104 Ų | 104 | 94.7 Ų | 94.7 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.9 | -42.2 | 174.7 | -109.6 | 86 | 0 | 0 | 0 | 111.8 | A10 L11 L17 H18 | A10-L14 PolarHBondContact O-N 3.4Å; L11-L14 PolarHBondContact O-N 3.46Å; L14-L17 PolarHBondContact O-N 3.33Å; L14-H18 PolarHBondContact O-N 2.9Å |
| 15 | L | 73.7 | Confident | 65.6 | Low | 119 Ų | 119 | 99 Ų | 99 | 62% | 0.623 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.1 | -43.3 | 178.7 | -177 | 63.9 | 0 | 0 | 0 | 111.5 | L11 L12 H18 A19 | L11-L15 VanDerWaalsContact O-CB 3.32Å; L11-L15 WeakPolarHBondContact O-CB 3.29Å; L11-L15 PolarHBondContact O-N 3.24Å; L12-L15 PolarHBondContact O-N 3.39Å; L15-H18 PolarHBondContact O-N 3.08Å; L15-A19 WeakPolarHBondContact O-CB 3.47Å; L15-A19 PolarHBondContact O-N 3.42Å |
| 16 | A | 70.4 | Confident | 64.4 | Low | 65 Ų | 65 | 96 Ų | 96 | 54% | 0.537 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64 | -39.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L12 S13 A19 V20 | L12-A16 WeakPolarHBondContact O-CB 3.34Å; L12-A16 PolarHBondContact O-N 2.93Å; S13-A16 PolarHBondContact O-N 2.89Å; A16-A19 PolarHBondContact O-N 3.35Å; A16-V20 PolarHBondContact O-N 3.02Å |
| 17 | L | 65.3 | Low | 63.4 | Low | 73 Ų | 73 | 96 Ų | 96 | 38% | 0.382 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.5 | -39.1 | 177.9 | -171.4 | 62.8 | 0 | 0 | 0 | 112.2 | S13 L14 V20 F47 | S13-L17 WeakPolarHBondContact O-CB 3.43Å; S13-L17 PolarHBondContact O-N 3.34Å; L14-L17 PolarHBondContact O-N 3.33Å; L17-V20 WeakPolarHBondContact O-CG1 3.22Å; L17-V20 PolarHBondContact O-N 3.26Å; L17-F47 HydrophobicContact CD1-CD1 4.43Å; L17-F47 HydrophobicContact CD1-CE1 3.79Å; L17-F47 HydrophobicContact CD1-CE2 4.17Å; L17-F47 HydrophobicContact CD1-CZ 3.7Å |
| 18 | H | 59.5 | Low | 62.4 | Low | 125 Ų | 125 | 99.3 Ų | 99.3 | 58% | 0.579 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.5 | -33.9 | 174.2 | -82.6 | -159.4 | 0 | 0 | 0 | 112.9 | L14 L15 V20 Q21 | L14-H18 PolarHBondContact O-N 2.9Å; L15-H18 PolarHBondContact O-N 3.08Å; H18-V20 PolarHBondContact O-N 3.37Å; H18-Q21 PolarHBondContact O-N 2.76Å; H18-Q21 VanDerWaalsContact O-N 3.11Å |
| 19 | A | 61.3 | Low | 61.2 | Low | 76 Ų | 76 | 100.7 Ų | 100.7 | 63% | 0.628 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62 | -25.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L15 A16 Q21 | L15-A19 WeakPolarHBondContact O-CB 3.47Å; L15-A19 PolarHBondContact O-N 3.42Å; A16-A19 PolarHBondContact O-N 3.35Å; A19-Q21 VanDerWaalsContact C-N 3.29Å; A19-Q21 PolarHBondContact O-N 3.43Å |
| 20 | V | 57.6 | Low | 59.7 | Low | 93 Ų | 93 | 104.8 Ų | 104.8 | 56% | 0.564 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -21 | 177.4 | 113.9 | 0 | 0 | 0 | 0 | 113.3 | A16 L17 H18 G22 | A16-V20 PolarHBondContact O-N 3.02Å; L17-V20 WeakPolarHBondContact O-CG1 3.22Å; L17-V20 PolarHBondContact O-N 3.26Å; H18-V20 PolarHBondContact O-N 3.37Å; V20-G22 VanDerWaalsContact C-N 3.28Å; V20-G22 PolarHBondContact O-N 3.38Å |
| 21 | Q | 56.7 | Low | 58.1 | Low | 143 Ų | 143 | 112.8 Ų | 112.8 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -1.8 | -177.3 | -62.8 | 179 | -40.8 | 0 | 0 | 113.3 | H18 A19 A23 | H18-Q21 PolarHBondContact O-N 2.76Å; H18-Q21 VanDerWaalsContact O-N 3.11Å; A19-Q21 VanDerWaalsContact C-N 3.29Å; A19-Q21 PolarHBondContact O-N 3.43Å; Q21-A23 PolarHBondContact O-N 3.12Å |
| 22 | G | 54.3 | Low | 57.3 | Low | 72 Ų | 72 | 111.5 Ų | 111.5 | 74% | 0.742 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 19.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | V20 | V20-G22 VanDerWaalsContact C-N 3.28Å; V20-G22 PolarHBondContact O-N 3.38Å |
| 23 | A | 49.8 | Very low | 56.3 | Low | 96 Ų | 96 | 113.9 Ų | 113.9 | 79% | 0.793 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.8 | 15.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q21 | Q21-A23 PolarHBondContact O-N 3.12Š|
| 24 | A | 53 | Low | 55 | Low | 96 Ų | 96 | 117.8 Ų | 117.8 | 79% | 0.793 | 69% | 0.691 | S | S | * | * | trans | -105 | 53.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 25 | L | 49.4 | Very low | 53.8 | Low | 176 Ų | 176 | 117.6 Ų | 117.6 | 92% | 0.921 | 70% | 0.699 | S | S | * | * | trans | -117.3 | 32.6 | 170.6 | -99.1 | 164.2 | 0 | 0 | 0 | 111.7 | H27 | L25-H27 PolarHBondContact O-N 3.18Š| ||
| 26 | G | 44.8 | Very low | 52.6 | Low | 73 Ų | 73 | 116.3 Ų | 116.3 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | trans | -80.1 | 94.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 27 | H | 41.8 | Very low | 51.3 | Low | 145 Ų | 145 | 124.8 Ų | 124.8 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | trans | -41 | 126.1 | 170.1 | -169.5 | 97.8 | 0 | 0 | 0 | 112.8 | L25 T29 | L25-H27 PolarHBondContact O-N 3.18Å; H27-T29 WeakPolarHBondContact CD2-CG2 3.48Å; H27-T29 PolarHBondContact CD2-OG1 3.44Å; H27-T29 WeakPolarHBondContact NE2-CG2 3.48Å; H27-T29 PolarHBondContact O-N 2.87Å; H27-T29 VanDerWaalsContact O-N 3.13Å | ||
| 28 | P | 50.7 | Low | 50.6 | Low | 130 Ų | 130 | 127.7 Ų | 127.7 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | trans | -84.7 | 85.4 | 172.8 | 32.6 | -29 | 0 | 0 | 0 | 108.9 | ||||
| 29 | T | 50.8 | Low | 50.4 | Low | 97 Ų | 97 | 128.4 Ų | 128.4 | 60% | 0.595 | 74% | 0.743 | S | S | * | * | trans | -98.2 | 128.2 | 157.5 | 34.8 | 0 | 0 | 0 | 0 | 108.9 | H27 | H27-T29 WeakPolarHBondContact CD2-CG2 3.48Å; H27-T29 PolarHBondContact CD2-OG1 3.44Å; H27-T29 WeakPolarHBondContact NE2-CG2 3.48Å; H27-T29 PolarHBondContact O-N 2.87Å; H27-T29 VanDerWaalsContact O-N 3.13Å | ||
| 30 | I | 45.5 | Very low | 49.6 | Very low | 164 Ų | 164 | 135 Ų | 135 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 97.7 | 105.8 | 167 | -47.3 | -170 | 0 | 0 | 0 | 115 | ||
| 31 | Y | 41.2 | Very low | 49.2 | Very low | 221 Ų | 221 | 134.2 Ų | 134.2 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | trans | -61.8 | -179.8 | 164.8 | -63.7 | -89.9 | 0 | 0 | 0 | 112.7 | ||||
| 32 | P | 56.3 | Low | 49 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 60% | 0.604 | 74% | 0.742 | S | S | * | * | cis | -127.2 | -179.3 | -27.3 | 19.9 | 5 | 0 | 0 | 0 | 111.8 | ||||
| 33 | E | 52.1 | Low | 48.9 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | 57.2 | 135.1 | 153.2 | 76.4 | -149.4 | 133.2 | 0 | 0 | 120.9 | ||||
| 34 | D | 49.3 | Very low | 48.9 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | 96.5 | 18.5 | 148.8 | 99.2 | -6.7 | 0 | 0 | 0 | 123.8 | ||||
| 35 | S | 47.3 | Very low | 48.8 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -128.3 | 99 | 168 | 46.6 | 0 | 0 | 0 | 0 | 113.5 | Y37 | S35-Y37 PolarHBondContact O-N 2.93Š|
| 36 | S | 47.2 | Very low | 48.9 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | trans | 38.7 | 77.5 | 141.7 | -170.7 | 0 | 0 | 0 | 0 | 114.6 | N38 | S36-N38 PolarHBondContact O-N 2.98Š| ||
| 37 | Y | 44.1 | Very low | 49.2 | Very low | 244 Ų | 244 | 127.1 Ų | 127.1 | 96% | 0.957 | 67% | 0.674 | S | S | * | * | trans | -64.5 | 24.2 | 158.2 | -95.3 | -88.1 | 0 | 0 | 0 | 112.6 | S35 | S35-Y37 PolarHBondContact O-N 2.93Š| ||
| 38 | N | 49.2 | Very low | 49.8 | Very low | 133 Ų | 133 | 124.3 Ų | 124.3 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | trans | -98.3 | 118 | 172.7 | -64.7 | -50.8 | 0 | 0 | 0 | 108.4 | S36 | S36-N38 PolarHBondContact O-N 2.98Š| ||
| 39 | N | 56.4 | Low | 50 | Low | 140 Ų | 140 | 122.7 Ų | 122.7 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | trans | 88.6 | 55.1 | 150.8 | -150.7 | 7.5 | 0 | 0 | 0 | 117.1 | ||||
| 40 | Y | 44.2 | Very low | 50.2 | Low | 215 Ų | 215 | 125 Ų | 125 | 84% | 0.843 | 66% | 0.657 | S | S | * | * | trans | -110 | 121.5 | 130.9 | -90.1 | -91.5 | 0 | 0 | 0 | 106.5 | T42 | Y40-T42 VanDerWaalsContact C-N 3.32Å; Y40-T42 PolarHBondContact O-N 3.49Å | ||
| 41 | P | 48.8 | Very low | 50.5 | Low | 76 Ų | 76 | 120.3 Ų | 120.3 | 49% | 0.494 | 63% | 0.634 | S | S | . | * | trans | -58.5 | 110.6 | 166.2 | 24.8 | -29.2 | 0 | 0 | 0 | 104.7 | A43 E45 | P41-A43 PolarHBondContact O-N 2.94Å; P41-E45 WeakPolarHBondContact CA-OE2 3.27Å | ||
| 42 | T | 52.2 | Low | 51.2 | Low | 80 Ų | 80 | 114.8 Ų | 114.8 | 49% | 0.491 | 62% | 0.615 | S | S | . | * | trans | -49.6 | 134 | 172.3 | -54.2 | 0 | 0 | 0 | 0 | 104.4 | Y40 T44 E45 A46 | Y40-T42 VanDerWaalsContact C-N 3.32Å; Y40-T42 PolarHBondContact O-N 3.49Å; T42-T44 WeakPolarHBondContact CG2-OG1 3.27Å; T42-T44 CarbonylContact O-C 3.27Å; T42-T44 PolarHBondContact O-N 2.96Å; T42-E45 PolarHBondContact N-OE2 3.24Å; T42-E45 WeakPolarHBondContact O-CA 3.33Å; T42-E45 WeakPolarHBondContact O-CB 3.35Å; T42-E45 PolarHBondContact O-N 3.18Å; T42-A46 PolarHBondContact O-N 2.95Å | ||
| 43 | A | 52.4 | Low | 51.3 | Low | 52 Ų | 52 | 117.8 Ų | 117.8 | 43% | 0.43 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -45.6 | -37.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P41 E45 A46 F47 | P41-A43 PolarHBondContact O-N 2.94Å; A43-E45 VanDerWaalsContact C-N 3.3Å; A43-E45 PolarHBondContact O-N 3.17Å; A43-A46 CarbonylContact O-C 3.16Å; A43-A46 PolarHBondContact O-N 3.01Å; A43-F47 VanDerWaalsContact C-CD2 3.44Å; A43-F47 HydrophobicContact CB-CD2 3.93Å; A43-F47 HydrophobicContact CB-CE2 4.02Å; A43-F47 VanDerWaalsContact O-CB 3.3Å; A43-F47 WeakPolarHBondContact O-CB 3.28Å; A43-F47 WeakPolarHBondContact O-CD2 3.13Å; A43-F47 WeakPolarHBondContact O-CG 3.12Å; A43-F47 PolarHBondContact O-N 3.16Å |
| 44 | T | 49.6 | Very low | 52 | Low | 105 Ų | 105 | 113 Ų | 113 | 64% | 0.644 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -47.9 | -35.6 | 169.8 | -39.2 | 0 | 0 | 0 | 0 | 116.8 | T42 F47 | T42-T44 WeakPolarHBondContact CG2-OG1 3.27Å; T42-T44 CarbonylContact O-C 3.27Å; T42-T44 PolarHBondContact O-N 2.96Å; T44-F47 CarbonylContact O-C 3.55Å; T44-F47 VanDerWaalsContact O-O 3.09Å |
| 45 | E | 51.9 | Low | 52.7 | Low | 121 Ų | 121 | 114.7 Ų | 114.7 | 57% | 0.565 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -83.5 | -31.2 | 177 | -58.9 | 178 | 157.6 | 0 | 0 | 112.2 | P41 T42 A43 F47 Q48 | P41-E45 WeakPolarHBondContact CA-OE2 3.27Å; T42-E45 PolarHBondContact N-OE2 3.24Å; T42-E45 WeakPolarHBondContact O-CA 3.33Å; T42-E45 WeakPolarHBondContact O-CB 3.35Å; T42-E45 PolarHBondContact O-N 3.18Å; A43-E45 VanDerWaalsContact C-N 3.3Å; A43-E45 PolarHBondContact O-N 3.17Å; E45-F47 VanDerWaalsContact C-N 3.29Å; E45-Q48 WeakPolarHBondContact O-CG 3.2Å |
| 46 | A | 51.8 | Low | 53.9 | Low | 76 Ų | 76 | 115.8 Ų | 115.8 | 63% | 0.628 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -73.5 | -27.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T42 A43 Q48 | T42-A46 PolarHBondContact O-N 2.95Å; A43-A46 CarbonylContact O-C 3.16Å; A43-A46 PolarHBondContact O-N 3.01Å; A46-Q48 PolarHBondContact O-N 3.34Å |
| 47 | F | 51.4 | Low | 55.1 | Low | 73 Ų | 73 | 114.7 Ų | 114.7 | 32% | 0.32 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.9 | 46.5 | 169.1 | -70.1 | -75.8 | 0 | 0 | 0 | 110.1 | L17 A43 T44 E45 S49 F52 | L17-F47 HydrophobicContact CD1-CD1 4.43Å; L17-F47 HydrophobicContact CD1-CE1 3.79Å; L17-F47 HydrophobicContact CD1-CE2 4.17Å; L17-F47 HydrophobicContact CD1-CZ 3.7Å; A43-F47 VanDerWaalsContact C-CD2 3.44Å; A43-F47 HydrophobicContact CB-CD2 3.93Å; A43-F47 HydrophobicContact CB-CE2 4.02Å; A43-F47 VanDerWaalsContact O-CB 3.3Å; A43-F47 WeakPolarHBondContact O-CB 3.28Å; A43-F47 WeakPolarHBondContact O-CD2 3.13Å; A43-F47 WeakPolarHBondContact O-CG 3.12Å; A43-F47 PolarHBondContact O-N 3.16Å; T44-F47 CarbonylContact O-C 3.55Å; T44-F47 VanDerWaalsContact O-O 3.09Å; E45-F47 VanDerWaalsContact C-N 3.29Å; F47-S49 PolarHBondContact O-N 3.29Å; F47-F52 HydrophobicContact CB-CD2 4.49Å; F47-F52 HydrophobicContact CD1-CD1 4.43Å; F47-F52 AromaticContact CD1-CD2 3.37Å; F47-F52 HydrophobicContact CD1-CD2 3.37Å; F47-F52 HydrophobicContact CD1-CE1 4.05Å; F47-F52 AromaticContact CD1-CE2 2.96Å; F47-F52 HydrophobicContact CD1-CE2 2.96Å; F47-F52 HydrophobicContact CD1-CG 4.13Å; F47-F52 AromaticContact CD1-CZ 3.33Å; F47-F52 HydrophobicContact CD1-CZ 3.33Å; F47-F52 AromaticContact CE1-CD2 3.99Å; F47-F52 HydrophobicContact CE1-CD2 3.99Å; F47-F52 HydrophobicContact CE1-CE1 4.23Å; F47-F52 AromaticContact CE1-CE2 3.08Å; F47-F52 HydrophobicContact CE1-CE2 3.08Å; F47-F52 AromaticContact CE1-CZ 3.22Å; F47-F52 HydrophobicContact CE1-CZ 3.22Å; F47-F52 HydrophobicContact CG-CD2 4.37Å; F47-F52 HydrophobicContact CG-CE2 4.23Å; F47-F52 HydrophobicContact CZ-CE2 4.42Å |
| 48 | Q | 54.3 | Low | 56.5 | Low | 87 Ų | 87 | 107 Ų | 107 | 41% | 0.407 | 56% | 0.557 | S | S | . | * | trans | -53.8 | 107.8 | 166.4 | -66.6 | -157 | -60.4 | 0 | 0 | 107.4 | E45 A46 E50 N51 F52 | E45-Q48 WeakPolarHBondContact O-CG 3.2Å; A46-Q48 PolarHBondContact O-N 3.34Å; Q48-E50 HydrophobicContact CB-CG 3.76Å; Q48-E50 PolarHBondContact NE2-OE1 2.95Å; Q48-E50 VanDerWaalsContact NE2-OE1 3.13Å; Q48-E50 PolarHBondContact O-N 3.43Å; Q48-N51 HydrophobicContact CB-CB 4.31Å; Q48-N51 CarbonylContact O-C 3.52Å; Q48-N51 WeakPolarHBondContact O-CA 3.41Å; Q48-N51 PolarHBondContact O-N 3.05Å; Q48-N51 PolarHBondContact OE1-ND2 3.38Å; Q48-F52 PolarHBondContact O-N 3.06Å | ||
| 49 | S | 53.6 | Low | 57.6 | Low | 96 Ų | 96 | 102 Ų | 102 | 67% | 0.671 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -56.3 | -27.1 | -176.7 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | F47 N51 F52 | F47-S49 PolarHBondContact O-N 3.29Å; S49-N51 VanDerWaalsContact C-N 3.35Å; S49-F52 PolarHBondContact O-N 3.42Å |
| 50 | E | 54.6 | Low | 58.4 | Low | 144 Ų | 144 | 98 Ų | 98 | 67% | 0.673 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.9 | -30.5 | 170.3 | 46.9 | -163.6 | 171.6 | 0 | 0 | 114.1 | Q48 | Q48-E50 HydrophobicContact CB-CG 3.76Å; Q48-E50 PolarHBondContact NE2-OE1 2.95Å; Q48-E50 VanDerWaalsContact NE2-OE1 3.13Å; Q48-E50 PolarHBondContact O-N 3.43Å |
| 51 | N | 53.4 | Low | 59.7 | Low | 67 Ų | 67 | 94.4 Ų | 94.4 | 36% | 0.358 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -101.9 | -14.5 | 171.8 | -79.7 | -48.3 | 0 | 0 | 0 | 113.9 | Q48 S49 L53 N54 | Q48-N51 HydrophobicContact CB-CB 4.31Å; Q48-N51 CarbonylContact O-C 3.52Å; Q48-N51 WeakPolarHBondContact O-CA 3.41Å; Q48-N51 PolarHBondContact O-N 3.05Å; Q48-N51 PolarHBondContact OE1-ND2 3.38Å; S49-N51 VanDerWaalsContact C-N 3.35Å; N51-L53 PolarHBondContact O-N 3.35Å; N51-N54 HydrophobicContact CB-CB 4.46Å; N51-N54 WeakPolarHBondContact O-CB 3.39Å; N51-N54 PolarHBondContact O-N 3.22Å; N51-N54 PolarHBondContact OD1-ND2 3.18Å |
| 52 | F | 56.1 | Low | 61.1 | Low | 105 Ų | 105 | 95.8 Ų | 95.8 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.2 | -20.6 | -179.2 | -145.9 | -111.6 | 0 | 0 | 0 | 113.3 | F47 Q48 S49 | F47-F52 HydrophobicContact CB-CD2 4.49Å; F47-F52 HydrophobicContact CD1-CD1 4.43Å; F47-F52 AromaticContact CD1-CD2 3.37Å; F47-F52 HydrophobicContact CD1-CD2 3.37Å; F47-F52 HydrophobicContact CD1-CE1 4.05Å; F47-F52 AromaticContact CD1-CE2 2.96Å; F47-F52 HydrophobicContact CD1-CE2 2.96Å; F47-F52 HydrophobicContact CD1-CG 4.13Å; F47-F52 AromaticContact CD1-CZ 3.33Å; F47-F52 HydrophobicContact CD1-CZ 3.33Å; F47-F52 AromaticContact CE1-CD2 3.99Å; F47-F52 HydrophobicContact CE1-CD2 3.99Å; F47-F52 HydrophobicContact CE1-CE1 4.23Å; F47-F52 AromaticContact CE1-CE2 3.08Å; F47-F52 HydrophobicContact CE1-CE2 3.08Å; F47-F52 AromaticContact CE1-CZ 3.22Å; F47-F52 HydrophobicContact CE1-CZ 3.22Å; F47-F52 HydrophobicContact CG-CD2 4.37Å; F47-F52 HydrophobicContact CG-CE2 4.23Å; F47-F52 HydrophobicContact CZ-CE2 4.42Å; Q48-F52 PolarHBondContact O-N 3.06Å; S49-F52 PolarHBondContact O-N 3.42Å |
| 53 | L | 57.9 | Low | 62.1 | Low | 156 Ų | 156 | 96 Ų | 96 | 82% | 0.817 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 12.3 | 167.1 | -65.5 | 175.9 | 0 | 0 | 0 | 112.4 | N51 W55 | N51-L53 PolarHBondContact O-N 3.35Å; L53-W55 VanDerWaalsContact C-N 3.35Å; L53-W55 PolarHBondContact O-N 2.79Å |
| 54 | N | 65.2 | Low | 63.3 | Low | 58 Ų | 58 | 99.6 Ų | 99.6 | 31% | 0.31 | 51% | 0.507 | S | S | . | . | trans | -77.5 | 93.4 | 175.2 | -166.8 | -22.1 | 0 | 0 | 0 | 108.5 | N51 H56 V57 I58 | N51-N54 HydrophobicContact CB-CB 4.46Å; N51-N54 WeakPolarHBondContact O-CB 3.39Å; N51-N54 PolarHBondContact O-N 3.22Å; N51-N54 PolarHBondContact OD1-ND2 3.18Å; N54-H56 PolarHBondContact O-N 3.42Å; N54-H56 WeakPolarHBondContact OD1-CB 3.45Å; N54-H56 PolarHBondContact OD1-N 3.36Å; N54-V57 HydrophobicContact CB-CB 4.33Å; N54-V57 HydrophobicContact CB-CG2 3.99Å; N54-V57 PolarHBondContact O-N 3.06Å; N54-I58 PolarHBondContact O-N 3.44Å; N54-I58 VanDerWaalsContact O-N 3.17Å | ||
| 55 | W | 66.1 | Low | 64.4 | Low | 190 Ų | 190 | 97.6 Ų | 97.6 | 72% | 0.72 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -47.2 | -35.1 | 178.5 | 179 | -104.4 | 0 | 0 | 0 | 112.4 | L53 T59 | L53-W55 VanDerWaalsContact C-N 3.35Å; L53-W55 PolarHBondContact O-N 2.79Å; W55-T59 HydrophobicContact CD2-CG2 4.1Å; W55-T59 HydrophobicContact CG-CG2 4.41Å; W55-T59 HydrophobicContact CZ2-CG2 3.89Å; W55-T59 WeakPolarHBondContact O-CB 3.44Å; W55-T59 VanDerWaalsContact O-CG2 3.27Å; W55-T59 WeakPolarHBondContact O-CG2 3.21Å; W55-T59 PolarHBondContact O-N 3.05Å; W55-T59 PolarHBondContact O-OG1 3.44Å; W55-T59 VanDerWaalsContact O-OG1 3.08Å |
| 56 | H | 71.2 | Confident | 65.5 | Low | 123 Ų | 123 | 95.4 Ų | 95.4 | 57% | 0.569 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.7 | -49.5 | 179.2 | -155 | 73.3 | 0 | 0 | 0 | 112 | N54 I58 T59 D60 | N54-H56 PolarHBondContact O-N 3.42Å; N54-H56 WeakPolarHBondContact OD1-CB 3.45Å; N54-H56 PolarHBondContact OD1-N 3.36Å; H56-I58 VanDerWaalsContact C-N 3.35Å; H56-I58 PolarHBondContact O-N 2.76Å; H56-T59 WeakPolarHBondContact CA-OG1 3.44Å; H56-T59 PolarHBondContact O-N 3.42Å; H56-T59 PolarHBondContact O-OG1 3.39Å; H56-D60 IonicContact CD2-OD2 3.35Å; H56-D60 PolarHBondContact CD2-OD2 2.75Å; H56-D60 IonicContact NE2-OD2 3.51Å; H56-D60 PolarHBondContact O-N 3.39Å |
| 57 | V | 73.1 | Confident | 66.5 | Low | 67 Ų | 67 | 96.7 Ų | 96.7 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 111 | N54 T59 D60 M61 | N54-V57 HydrophobicContact CB-CB 4.33Å; N54-V57 HydrophobicContact CB-CG2 3.99Å; N54-V57 PolarHBondContact O-N 3.06Å; V57-T59 PolarHBondContact O-N 2.99Å; V57-D60 PolarHBondContact O-N 2.96Å; V57-M61 PolarHBondContact O-N 3.34Å |
| 58 | I | 72.4 | Confident | 67.7 | Low | 83 Ų | 83 | 100.8 Ų | 100.8 | 43% | 0.426 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 176.1 | -63 | 167 | 0 | 0 | 0 | 110.2 | N54 H56 D60 F62 | N54-I58 PolarHBondContact O-N 3.44Å; N54-I58 VanDerWaalsContact O-N 3.17Å; H56-I58 VanDerWaalsContact C-N 3.35Å; H56-I58 PolarHBondContact O-N 2.76Å; I58-D60 VanDerWaalsContact C-N 3.33Å; I58-D60 PolarHBondContact O-N 2.92Å; I58-F62 VanDerWaalsContact O-CB 3.28Å; I58-F62 WeakPolarHBondContact O-CB 3.44Å; I58-F62 PolarHBondContact O-N 3.42Å |
| 59 | T | 72.8 | Confident | 68.5 | Low | 29 Ų | 29 | 99.3 Ų | 99.3 | 18% | 0.178 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -66.2 | -35.6 | 179.7 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | W55 H56 V57 F62 K63 | W55-T59 HydrophobicContact CD2-CG2 4.1Å; W55-T59 HydrophobicContact CG-CG2 4.41Å; W55-T59 HydrophobicContact CZ2-CG2 3.89Å; W55-T59 WeakPolarHBondContact O-CB 3.44Å; W55-T59 VanDerWaalsContact O-CG2 3.27Å; W55-T59 WeakPolarHBondContact O-CG2 3.21Å; W55-T59 PolarHBondContact O-N 3.05Å; W55-T59 PolarHBondContact O-OG1 3.44Å; W55-T59 VanDerWaalsContact O-OG1 3.08Å; H56-T59 WeakPolarHBondContact CA-OG1 3.44Å; H56-T59 PolarHBondContact O-N 3.42Å; H56-T59 PolarHBondContact O-OG1 3.39Å; V57-T59 PolarHBondContact O-N 2.99Å; T59-F62 PolarHBondContact O-N 3.01Å; T59-K63 WeakPolarHBondContact O-CB 3.3Å; T59-K63 WeakPolarHBondContact O-CG 3.06Å; T59-K63 PolarHBondContact O-N 2.86Å |
| 60 | D | 73.1 | Confident | 69.3 | Low | 55 Ų | 55 | 98.7 Ų | 98.7 | 29% | 0.294 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -75.2 | -40.8 | -179.8 | -73.2 | -22.5 | 0 | 0 | 0 | 112 | H56 V57 I58 F62 K63 N64 | H56-D60 IonicContact CD2-OD2 3.35Å; H56-D60 PolarHBondContact CD2-OD2 2.75Å; H56-D60 IonicContact NE2-OD2 3.51Å; H56-D60 PolarHBondContact O-N 3.39Å; V57-D60 PolarHBondContact O-N 2.96Å; I58-D60 VanDerWaalsContact C-N 3.33Å; I58-D60 PolarHBondContact O-N 2.92Å; D60-F62 VanDerWaalsContact C-N 3.27Å; D60-F62 PolarHBondContact O-N 2.94Å; D60-K63 PolarHBondContact O-N 3.13Å; D60-K63 IonicContact OD1-NZ 3.51Å; D60-N64 WeakPolarHBondContact O-CB 3.48Å; D60-N64 VanDerWaalsContact O-CG 3.24Å; D60-N64 PolarHBondContact O-N 3.21Å; D60-N64 PolarHBondContact O-ND2 3.39Å |
| 61 | M | 72.4 | Confident | 70 | Confident | 140 Ų | 140 | 95 Ų | 95 | 69% | 0.69 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57.6 | -42.6 | 168.8 | -98.1 | -178.9 | 62 | 0 | 0 | 111.5 | V57 N64 A65 | V57-M61 PolarHBondContact O-N 3.34Å; M61-N64 PolarHBondContact O-N 3.49Å; M61-A65 VanDerWaalsContact O-CB 3.27Å; M61-A65 WeakPolarHBondContact O-CB 3.32Å; M61-A65 PolarHBondContact O-N 2.93Å |
| 62 | F | 76.6 | Confident | 70.8 | Confident | 105 Ų | 105 | 98.8 Ų | 98.8 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 179.5 | -167.9 | -121.5 | 0 | 0 | 0 | 112.1 | I58 T59 D60 N64 A65 F66 W71 | I58-F62 VanDerWaalsContact O-CB 3.28Å; I58-F62 WeakPolarHBondContact O-CB 3.44Å; I58-F62 PolarHBondContact O-N 3.42Å; T59-F62 PolarHBondContact O-N 3.01Å; D60-F62 VanDerWaalsContact C-N 3.27Å; D60-F62 PolarHBondContact O-N 2.94Å; F62-N64 PolarHBondContact O-N 3.42Å; F62-A65 PolarHBondContact O-N 3.44Å; F62-F66 AromaticContact CD2-CD2 3.71Å; F62-F66 HydrophobicContact CD2-CD2 3.71Å; F62-F66 AromaticContact CD2-CE2 3.68Å; F62-F66 HydrophobicContact CD2-CE2 3.68Å; F62-F66 AromaticContact CE2-CD2 3.65Å; F62-F66 HydrophobicContact CE2-CD2 3.65Å; F62-F66 AromaticContact CE2-CE2 3.42Å; F62-F66 HydrophobicContact CE2-CE2 3.42Å; F62-F66 VanDerWaalsContact CE2-CE2 3.42Å; F62-F66 HydrophobicContact CE2-CZ 4.37Å; F62-F66 HydrophobicContact CG-CD2 4.37Å; F62-F66 HydrophobicContact CZ-CD2 4.31Å; F62-F66 HydrophobicContact CZ-CE2 4.34Å; F62-F66 WeakPolarHBondContact O-CD2 3.38Å; F62-F66 PolarHBondContact O-N 2.95Å; F62-F66 VanDerWaalsContact O-N 3.12Å; F62-W71 AromaticContact CD1-CH2 3.16Å; F62-W71 HydrophobicContact CD1-CH2 3.16Å; F62-W71 AromaticContact CD1-CZ2 3.81Å; F62-W71 HydrophobicContact CD1-CZ2 3.81Å; F62-W71 AromaticContact CD1-CZ3 3.81Å; F62-W71 HydrophobicContact CD1-CZ3 3.81Å; F62-W71 AromaticContact CE1-CH2 3.1Å; F62-W71 HydrophobicContact CE1-CH2 3.1Å; F62-W71 HydrophobicContact CE1-CZ2 4.07Å; F62-W71 AromaticContact CE1-CZ3 3.73Å; F62-W71 HydrophobicContact CE1-CZ3 3.73Å; F62-W71 HydrophobicContact CG-CH2 4.21Å; F62-W71 HydrophobicContact CZ-CH2 4.04Å |
| 63 | K | 74.6 | Confident | 71.2 | Confident | 83 Ų | 83 | 101.8 Ų | 101.8 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 174.2 | -73.4 | 166.9 | -174.4 | 167 | 0 | 112.3 | T59 D60 F66 W71 | T59-K63 WeakPolarHBondContact O-CB 3.3Å; T59-K63 WeakPolarHBondContact O-CG 3.06Å; T59-K63 PolarHBondContact O-N 2.86Å; D60-K63 PolarHBondContact O-N 3.13Å; D60-K63 IonicContact OD1-NZ 3.51Å; K63-F66 CarbonylContact O-C 3.45Å; K63-F66 VanDerWaalsContact O-C 3.27Å; K63-F66 PolarHBondContact O-N 3.29Å; K63-W71 HydrophobicContact CG-CD2 3.78Å; K63-W71 HydrophobicContact CG-CE3 4.43Å; K63-W71 HydrophobicContact CG-CG 3.92Å; K63-W71 HydrophobicContact CG-CZ2 4.36Å |
| 64 | N | 76.4 | Confident | 71.5 | Confident | 128 Ų | 128 | 100.7 Ų | 100.7 | 68% | 0.684 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.8 | -34.4 | -179.9 | -72.5 | -34.7 | 0 | 0 | 0 | 112.6 | D60 M61 F62 F66 | D60-N64 WeakPolarHBondContact O-CB 3.48Å; D60-N64 VanDerWaalsContact O-CG 3.24Å; D60-N64 PolarHBondContact O-N 3.21Å; D60-N64 PolarHBondContact O-ND2 3.39Å; M61-N64 PolarHBondContact O-N 3.49Å; F62-N64 PolarHBondContact O-N 3.42Å; N64-F66 VanDerWaalsContact C-N 3.32Å |
| 65 | A | 73.9 | Confident | 71.1 | Confident | 64 Ų | 64 | 103.2 Ų | 103.2 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.8 | -27.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M61 F62 P67 | M61-A65 VanDerWaalsContact O-CB 3.27Å; M61-A65 WeakPolarHBondContact O-CB 3.32Å; M61-A65 PolarHBondContact O-N 2.93Å; F62-A65 PolarHBondContact O-N 3.44Å; A65-P67 VanDerWaalsContact O-CD 3.29Å; A65-P67 WeakPolarHBondContact O-CD 3.5Å |
| 66 | F | 75.1 | Confident | 70.7 | Confident | 75 Ų | 75 | 102.5 Ų | 102.5 | 33% | 0.329 | 52% | 0.517 | S | S | . | . | trans | -121.7 | 67.7 | 179.8 | -62.4 | -86 | 0 | 0 | 0 | 111.2 | F62 K63 N64 F68 I69 W71 | F62-F66 AromaticContact CD2-CD2 3.71Å; F62-F66 HydrophobicContact CD2-CD2 3.71Å; F62-F66 AromaticContact CD2-CE2 3.68Å; F62-F66 HydrophobicContact CD2-CE2 3.68Å; F62-F66 AromaticContact CE2-CD2 3.65Å; F62-F66 HydrophobicContact CE2-CD2 3.65Å; F62-F66 AromaticContact CE2-CE2 3.42Å; F62-F66 HydrophobicContact CE2-CE2 3.42Å; F62-F66 VanDerWaalsContact CE2-CE2 3.42Å; F62-F66 HydrophobicContact CE2-CZ 4.37Å; F62-F66 HydrophobicContact CG-CD2 4.37Å; F62-F66 HydrophobicContact CZ-CD2 4.31Å; F62-F66 HydrophobicContact CZ-CE2 4.34Å; F62-F66 WeakPolarHBondContact O-CD2 3.38Å; F62-F66 PolarHBondContact O-N 2.95Å; F62-F66 VanDerWaalsContact O-N 3.12Å; K63-F66 CarbonylContact O-C 3.45Å; K63-F66 VanDerWaalsContact O-C 3.27Å; K63-F66 PolarHBondContact O-N 3.29Å; N64-F66 VanDerWaalsContact C-N 3.32Å; F66-F68 HydrophobicContact CB-CZ 4.42Å; F66-F68 HydrophobicContact CD1-CE1 4.04Å; F66-F68 AromaticContact CD1-CE2 3.93Å; F66-F68 HydrophobicContact CD1-CE2 3.93Å; F66-F68 AromaticContact CD1-CZ 3.39Å; F66-F68 HydrophobicContact CD1-CZ 3.39Å; F66-F68 HydrophobicContact CE1-CZ 4.08Å; F66-F68 HydrophobicContact CG-CZ 4.35Å; F66-F68 PolarHBondContact O-N 2.86Å; F66-I69 HydrophobicContact CB-CB 4.29Å; F66-I69 HydrophobicContact CB-CD1 3.58Å; F66-I69 HydrophobicContact CB-CG1 3.9Å; F66-I69 HydrophobicContact CD1-CD1 3.94Å; F66-I69 HydrophobicContact CG-CD1 3.88Å; F66-I69 PolarHBondContact O-N 3.21Å; F66-W71 HydrophobicContact CB-CZ2 4.01Å; F66-W71 PolarHBondContact O-NE1 3.22Å | ||
| 67 | P | 72.4 | Confident | 70.1 | Confident | 102 Ų | 102 | 102.6 Ų | 102.6 | 66% | 0.662 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -13.9 | -177.7 | 31.2 | -36.6 | 0 | 0 | 0 | 113 | A65 | A65-P67 VanDerWaalsContact O-CD 3.29Å; A65-P67 WeakPolarHBondContact O-CD 3.5Å |
| 68 | F | 76.6 | Confident | 69.1 | Low | 159 Ų | 159 | 107.9 Ų | 107.9 | 70% | 0.697 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.7 | 177 | 53 | -95.1 | 0 | 0 | 0 | 113.4 | F66 | F66-F68 HydrophobicContact CB-CZ 4.42Å; F66-F68 HydrophobicContact CD1-CE1 4.04Å; F66-F68 AromaticContact CD1-CE2 3.93Å; F66-F68 HydrophobicContact CD1-CE2 3.93Å; F66-F68 AromaticContact CD1-CZ 3.39Å; F66-F68 HydrophobicContact CD1-CZ 3.39Å; F66-F68 HydrophobicContact CE1-CZ 4.08Å; F66-F68 HydrophobicContact CG-CZ 4.35Å; F66-F68 PolarHBondContact O-N 2.86Å |
| 69 | I | 71.8 | Confident | 68.2 | Low | 57 Ų | 57 | 107.2 Ų | 107.2 | 29% | 0.292 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -81.7 | 127.4 | 174.2 | -67.7 | -179.7 | 0 | 0 | 0 | 108.3 | F66 W71 F74 | F66-I69 HydrophobicContact CB-CB 4.29Å; F66-I69 HydrophobicContact CB-CD1 3.58Å; F66-I69 HydrophobicContact CB-CG1 3.9Å; F66-I69 HydrophobicContact CD1-CD1 3.94Å; F66-I69 HydrophobicContact CG-CD1 3.88Å; F66-I69 PolarHBondContact O-N 3.21Å; I69-W71 HydrophobicContact CB-CH2 4.49Å; I69-W71 HydrophobicContact CB-CZ2 4Å; I69-W71 HydrophobicContact CD1-CH2 4.24Å; I69-W71 HydrophobicContact CD1-CZ2 4.2Å; I69-W71 HydrophobicContact CG2-CD2 4Å; I69-W71 HydrophobicContact CG2-CE3 4.23Å; I69-W71 HydrophobicContact CG2-CH2 3.99Å; I69-W71 HydrophobicContact CG2-CZ2 3.9Å; I69-W71 HydrophobicContact CG2-CZ3 4.21Å; I69-W71 PolarHBondContact O-N 2.69Å; I69-W71 PolarHBondContact O-NE1 3.06Å; I69-F74 HydrophobicContact CG2-CE2 4.42Å |
| 70 | N | 70.4 | Confident | 67.1 | Low | 83 Ų | 83 | 113.4 Ų | 113.4 | 44% | 0.444 | 59% | 0.588 | S | S | . | * | trans | -77.1 | 95.1 | 171.7 | -166.9 | -21.8 | 0 | 0 | 0 | 109.8 | D72 F73 | N70-D72 PolarHBondContact O-N 2.85Å; N70-D72 WeakPolarHBondContact OD1-CB 2.93Å; N70-D72 PolarHBondContact OD1-N 3.41Å; N70-D72 VanDerWaalsContact OD1-N 3.16Å; N70-F73 HydrophobicContact CB-CD2 3.69Å; N70-F73 HydrophobicContact CB-CE2 4.28Å; N70-F73 HydrophobicContact CB-CG 4.49Å; N70-F73 WeakPolarHBondContact ND2-CD2 3.48Å; N70-F73 WeakPolarHBondContact ND2-CE2 3.14Å; N70-F73 WeakPolarHBondContact O-CB 3.44Å; N70-F73 PolarHBondContact O-N 3.44Å; N70-F73 VanDerWaalsContact O-N 3.13Å | ||
| 71 | W | 68.4 | Low | 66.3 | Low | 67 Ų | 67 | 122.1 Ų | 122.1 | 25% | 0.254 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -64.9 | -19.9 | -178.9 | -66.6 | 103.3 | 0 | 0 | 0 | 113.8 | F62 K63 F66 I69 F73 F74 | F62-W71 AromaticContact CD1-CH2 3.16Å; F62-W71 HydrophobicContact CD1-CH2 3.16Å; F62-W71 AromaticContact CD1-CZ2 3.81Å; F62-W71 HydrophobicContact CD1-CZ2 3.81Å; F62-W71 AromaticContact CD1-CZ3 3.81Å; F62-W71 HydrophobicContact CD1-CZ3 3.81Å; F62-W71 AromaticContact CE1-CH2 3.1Å; F62-W71 HydrophobicContact CE1-CH2 3.1Å; F62-W71 HydrophobicContact CE1-CZ2 4.07Å; F62-W71 AromaticContact CE1-CZ3 3.73Å; F62-W71 HydrophobicContact CE1-CZ3 3.73Å; F62-W71 HydrophobicContact CG-CH2 4.21Å; F62-W71 HydrophobicContact CZ-CH2 4.04Å; K63-W71 HydrophobicContact CG-CD2 3.78Å; K63-W71 HydrophobicContact CG-CE3 4.43Å; K63-W71 HydrophobicContact CG-CG 3.92Å; K63-W71 HydrophobicContact CG-CZ2 4.36Å; F66-W71 HydrophobicContact CB-CZ2 4.01Å; F66-W71 PolarHBondContact O-NE1 3.22Å; I69-W71 HydrophobicContact CB-CH2 4.49Å; I69-W71 HydrophobicContact CB-CZ2 4Å; I69-W71 HydrophobicContact CD1-CH2 4.24Å; I69-W71 HydrophobicContact CD1-CZ2 4.2Å; I69-W71 HydrophobicContact CG2-CD2 4Å; I69-W71 HydrophobicContact CG2-CE3 4.23Å; I69-W71 HydrophobicContact CG2-CH2 3.99Å; I69-W71 HydrophobicContact CG2-CZ2 3.9Å; I69-W71 HydrophobicContact CG2-CZ3 4.21Å; I69-W71 PolarHBondContact O-N 2.69Å; I69-W71 PolarHBondContact O-NE1 3.06Å; W71-F73 PolarHBondContact O-N 3.41Å; W71-F74 AromaticContact CE3-CD2 3.99Å; W71-F74 HydrophobicContact CE3-CD2 3.99Å; W71-F74 AromaticContact CE3-CE2 3.92Å; W71-F74 HydrophobicContact CE3-CE2 3.92Å; W71-F74 HydrophobicContact CZ3-CD2 4.23Å; W71-F74 AromaticContact CZ3-CE2 3.74Å; W71-F74 HydrophobicContact CZ3-CE2 3.74Å; W71-F74 HydrophobicContact CZ3-CZ 4.46Å; W71-F74 PolarHBondContact O-N 3.44Å |
| 72 | D | 69.4 | Low | 65.4 | Low | 146 Ų | 146 | 120.3 Ų | 120.3 | 78% | 0.781 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -75.5 | -12.1 | 175.5 | -66.7 | -56.7 | 0 | 0 | 0 | 113.2 | N70 F74 | N70-D72 PolarHBondContact O-N 2.85Å; N70-D72 WeakPolarHBondContact OD1-CB 2.93Å; N70-D72 PolarHBondContact OD1-N 3.41Å; N70-D72 VanDerWaalsContact OD1-N 3.16Å; D72-F74 VanDerWaalsContact C-N 3.33Å |
| 73 | F | 65.3 | Low | 64.3 | Low | 167 Ų | 167 | 119.8 Ų | 119.8 | 73% | 0.732 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -79 | -13.9 | 175.2 | -91.4 | -104.6 | 0 | 0 | 0 | 113.8 | N70 W71 P75 | N70-F73 HydrophobicContact CB-CD2 3.69Å; N70-F73 HydrophobicContact CB-CE2 4.28Å; N70-F73 HydrophobicContact CB-CG 4.49Å; N70-F73 WeakPolarHBondContact ND2-CD2 3.48Å; N70-F73 WeakPolarHBondContact ND2-CE2 3.14Å; N70-F73 WeakPolarHBondContact O-CB 3.44Å; N70-F73 PolarHBondContact O-N 3.44Å; N70-F73 VanDerWaalsContact O-N 3.13Å; W71-F73 PolarHBondContact O-N 3.41Å; F73-P75 WeakPolarHBondContact O-CD 3.44Å |
| 74 | F | 64.1 | Low | 63.4 | Low | 134 Ų | 134 | 119.5 Ų | 119.5 | 59% | 0.588 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -70.8 | 114.2 | 172.7 | -81.7 | -85.9 | 0 | 0 | 0 | 108.3 | I69 W71 D72 K76 | I69-F74 HydrophobicContact CG2-CE2 4.42Å; W71-F74 AromaticContact CE3-CD2 3.99Å; W71-F74 HydrophobicContact CE3-CD2 3.99Å; W71-F74 AromaticContact CE3-CE2 3.92Å; W71-F74 HydrophobicContact CE3-CE2 3.92Å; W71-F74 HydrophobicContact CZ3-CD2 4.23Å; W71-F74 AromaticContact CZ3-CE2 3.74Å; W71-F74 HydrophobicContact CZ3-CE2 3.74Å; W71-F74 HydrophobicContact CZ3-CZ 4.46Å; W71-F74 PolarHBondContact O-N 3.44Å; D72-F74 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 3.11Å |
| 75 | P | 57.3 | Low | 62 | Low | 110 Ų | 110 | 119.2 Ų | 119.2 | 71% | 0.714 | 65% | 0.651 | S | S | * | * | trans | -59.5 | 111.2 | 175.5 | 24.3 | -31.4 | 0 | 0 | 0 | 106.9 | F73 V77 | F73-P75 WeakPolarHBondContact O-CD 3.44Å; P75-V77 PolarHBondContact O-N 2.85Å | ||
| 76 | K | 58.4 | Low | 61 | Low | 175 Ų | 175 | 122.9 Ų | 122.9 | 76% | 0.761 | 66% | 0.662 | S | S | * | * | trans | -47.7 | 113.8 | 166.9 | -74.6 | 173.5 | 179.3 | 170.9 | 0 | 104.8 | F74 K78 | F74-K76 PolarHBondContact O-N 3.11Å; K76-K78 PolarHBondContact O-N 3.26Å | ||
| 77 | V | 57.3 | Low | 60 | Low | 126 Ų | 126 | 124.7 Ų | 124.7 | 76% | 0.764 | 68% | 0.684 | S | S | * | * | trans | -62 | 73.6 | -179.3 | -87.7 | 0 | 0 | 0 | 0 | 109.6 | P75 | P75-V77 PolarHBondContact O-N 2.85Š| ||
| 78 | K | 52.8 | Low | 58.8 | Low | 177 Ų | 177 | 131.5 Ų | 131.5 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -80.3 | -2.1 | 172.1 | -82.3 | -177.9 | 171.1 | -175.4 | 0 | 111.1 | K76 | K76-K78 PolarHBondContact O-N 3.26Š|
| 79 | G | 52.7 | Low | 57.9 | Low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -85.3 | -12.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 80 | L | 50.8 | Low | 57.1 | Low | 160 Ų | 160 | 134 Ų | 134 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -92.8 | -4 | 179 | -73 | 170.6 | 0 | 0 | 0 | 114 | ||
| 81 | R | 56.5 | Low | 56.4 | Low | 237 Ų | 237 | 136.8 Ų | 136.8 | 89% | 0.894 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -101.7 | 0.6 | 179.5 | -78.6 | -173.2 | 168.9 | -175.8 | -3 | 114.6 | ||
| 82 | S | 53 | Low | 55.7 | Low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -117.3 | 61.4 | 179.1 | -162.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 83 | A | 53.6 | Low | 54.8 | Low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | -114.6 | 53.5 | 145 | 0 | 0 | 0 | 0 | 0 | 107.3 | P85 | A83-P85 WeakPolarHBondContact O-CD 3.29Š| ||
| 84 | A | 54.6 | Low | 54.1 | Low | 77 Ų | 77 | 138.9 Ų | 138.9 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -70 | 116.7 | 152.6 | 0 | 0 | 0 | 0 | 0 | 104.6 | D86 | A84-D86 PolarHBondContact O-N 3.13Å; A84-D86 VanDerWaalsContact O-N 3.08Å | ||
| 85 | P | 47.1 | Very low | 53.4 | Low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -62.8 | 115.7 | 170.4 | 26 | -28.6 | 0 | 0 | 0 | 106.1 | A83 S87 | A83-P85 WeakPolarHBondContact O-CD 3.29Å; P85-S87 PolarHBondContact O-N 3.32Å | ||
| 86 | D | 52.6 | Low | 53.1 | Low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -65.1 | 105.8 | 169 | -160.8 | 11.4 | 0 | 0 | 0 | 106.3 | A84 Q88 | A84-D86 PolarHBondContact O-N 3.13Å; A84-D86 VanDerWaalsContact O-N 3.08Å; D86-Q88 PolarHBondContact O-N 3.39Å | ||
| 87 | S | 54 | Low | 52.7 | Low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -83.4 | 93 | 171.3 | 60.5 | 0 | 0 | 0 | 0 | 107.6 | P85 | P85-S87 PolarHBondContact O-N 3.32Š| ||
| 88 | Q | 47.4 | Very low | 52.3 | Low | 246 Ų | 246 | 139.8 Ų | 139.8 | 100% | 1.15 | 80% | 0.802 | S | S | * | * | trans | -134.6 | 0 | 159.8 | -72 | -158.2 | -29.1 | 0 | 0 | 110.1 | D86 | D86-Q88 PolarHBondContact O-N 3.39Š|
Retrieved 88 of 88 residues in 34.8 ms
(Link to these results)