| 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 | 40.1 | Very low | 44.7 | Very low | 250 Ų | 250 | 144.8 Ų | 144.8 | 100% | 1.232 | 85% | 0.852 | S | S | * | * | 0 | 105.2 | 0 | -64.8 | 168.6 | -177.4 | 0 | 0 | 107.4 | |||||
| 2 | K | 46.4 | Very low | 45 | Very low | 220 Ų | 220 | 144.9 Ų | 144.9 | 96% | 0.957 | 85% | 0.846 | S | S | * | * | trans | -145.7 | 113.6 | -178 | -140 | 163.3 | -174.8 | 178.2 | 0 | 107.5 | ||||
| 3 | A | 40.5 | Very low | 44.8 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 78% | 0.777 | 84% | 0.843 | S | S | * | * | trans | -154.4 | 161.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 4 | P | 50.9 | Low | 44.8 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | -117.2 | 172.8 | -78.8 | 24.6 | -6.3 | 0 | 0 | 0 | 112.3 | G6 | P4-G6 PolarHBondContact O-N 3.12Š| |||
| 5 | L | 51 | Low | 45.4 | Very low | 176 Ų | 176 | 149.1 Ų | 149.1 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | trans | -51.1 | 112 | 176.3 | -73.9 | 150.5 | 0 | 0 | 0 | 112 | ||||
| 6 | G | 41.9 | Very low | 45.8 | Very low | 76 Ų | 76 | 151.7 Ų | 151.7 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | trans | -80.3 | 117.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110 | P4 S8 | P4-G6 PolarHBondContact O-N 3.12Å; G6-S8 PolarHBondContact O-N 3.36Å | ||
| 7 | I | 44.6 | Very low | 46.4 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 82% | 0.815 | 83% | 0.829 | S | S | * | * | trans | -70.6 | 122.5 | 177.2 | -60.5 | 160.7 | 0 | 0 | 0 | 108.1 | M9 | I7-M9 PolarHBondContact O-N 3.49Š| ||
| 8 | S | 45.1 | Very low | 46.4 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -70.1 | 108.7 | 174.2 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | G6 S10 | G6-S8 PolarHBondContact O-N 3.36Å; S8-S10 PolarHBondContact O-N 3.31Å | ||
| 9 | M | 40.3 | Very low | 46.8 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 89% | 0.892 | 82% | 0.82 | S | S | * | * | trans | -86.9 | 92.9 | 160.9 | -78.2 | 176.4 | 66.5 | 0 | 0 | 108.3 | I7 S11 | I7-M9 PolarHBondContact O-N 3.49Å; M9-S11 PolarHBondContact O-N 3.29Å | ||
| 10 | S | 45.8 | Very low | 47.1 | Very low | 96 Ų | 96 | 148.9 Ų | 148.9 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | -73.1 | 103.8 | 163 | 49.4 | 0 | 0 | 0 | 0 | 108.3 | S8 D12 | S8-S10 PolarHBondContact O-N 3.31Å; S10-D12 VanDerWaalsContact C-N 3.32Å; S10-D12 PolarHBondContact O-N 3.36Å; S10-D12 VanDerWaalsContact O-N 3.07Å | ||
| 11 | S | 45.1 | Very low | 47.7 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -77.4 | 78.9 | 174.2 | 53.9 | 0 | 0 | 0 | 0 | 110.5 | M9 F13 | M9-S11 PolarHBondContact O-N 3.29Å; S11-F13 VanDerWaalsContact C-N 3.35Å; S11-F13 PolarHBondContact O-N 3.44Å | ||
| 12 | D | 48.9 | Very low | 48.5 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -86.7 | 79.1 | 163.2 | -74.3 | -53.4 | 0 | 0 | 0 | 108.9 | S10 | S10-D12 VanDerWaalsContact C-N 3.32Å; S10-D12 PolarHBondContact O-N 3.36Å; S10-D12 VanDerWaalsContact O-N 3.07Å | ||
| 13 | F | 42.2 | Very low | 49 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -95.3 | 114.4 | 162.2 | -92.5 | -82.1 | 0 | 0 | 0 | 108.3 | S11 H15 | S11-F13 VanDerWaalsContact C-N 3.35Å; S11-F13 PolarHBondContact O-N 3.44Å; F13-H15 PolarHBondContact O-N 2.87Å; F13-H15 VanDerWaalsContact O-N 3.12Å | ||
| 14 | P | 45.2 | Very low | 49.8 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | trans | -64.5 | 117.6 | 170.2 | 24 | -28.9 | 0 | 0 | 0 | 108.3 | Y16 | P14-Y16 PolarHBondContact O-N 2.89Š| ||
| 15 | H | 53.1 | Low | 49.9 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | trans | -59.2 | 88.5 | 165.1 | -89.8 | -99 | 0 | 0 | 0 | 108.4 | F13 G17 | F13-H15 PolarHBondContact O-N 2.87Å; F13-H15 VanDerWaalsContact O-N 3.12Å; H15-G17 VanDerWaalsContact C-N 3.26Å; H15-G17 PolarHBondContact O-N 3.33Å | ||
| 16 | Y | 51.3 | Low | 50.1 | Low | 191 Ų | 191 | 137.1 Ų | 137.1 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -68.6 | 96.5 | 161.9 | 82.3 | -83.1 | 0 | 0 | 0 | 105.9 | P14 F18 | P14-Y16 PolarHBondContact O-N 2.89Å; Y16-F18 VanDerWaalsContact C-N 3.29Å; Y16-F18 HydrophobicContact CD2-CB 4.11Å; Y16-F18 HydrophobicContact CE2-CB 3.82Å; Y16-F18 HydrophobicContact CE2-CD2 4.18Å; Y16-F18 HydrophobicContact CE2-CG 4.37Å; Y16-F18 PolarHBondContact O-N 2.89Å | ||
| 17 | G | 56.6 | Low | 50.8 | Low | 70 Ų | 70 | 138.3 Ų | 138.3 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | -62.8 | 97.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | H15 K19 | H15-G17 VanDerWaalsContact C-N 3.26Å; H15-G17 PolarHBondContact O-N 3.33Å; G17-K19 PolarHBondContact O-N 3.22Å | ||
| 18 | F | 45.7 | Very low | 51.6 | Low | 146 Ų | 146 | 134.4 Ų | 134.4 | 64% | 0.64 | 71% | 0.714 | S | S | * | * | trans | -69 | 77.5 | 168.8 | -165.3 | -104.9 | 0 | 0 | 0 | 108.2 | Y16 M20 | Y16-F18 VanDerWaalsContact C-N 3.29Å; Y16-F18 HydrophobicContact CD2-CB 4.11Å; Y16-F18 HydrophobicContact CE2-CB 3.82Å; Y16-F18 HydrophobicContact CE2-CD2 4.18Å; Y16-F18 HydrophobicContact CE2-CG 4.37Å; Y16-F18 PolarHBondContact O-N 2.89Å; F18-M20 HydrophobicContact CD1-CE 4.24Å; F18-M20 HydrophobicContact CD1-CG 3.53Å; F18-M20 HydrophobicContact CE1-CB 4.47Å; F18-M20 HydrophobicContact CE1-CE 3.54Å; F18-M20 HydrophobicContact CE1-CG 3.22Å; F18-M20 HydrophobicContact CE1-SD 4.16Å; F18-M20 HydrophobicContact CZ-CG 4.27Å; F18-M20 PolarHBondContact O-N 2.88Å | ||
| 19 | K | 53.8 | Low | 53.2 | Low | 197 Ų | 197 | 133.2 Ų | 133.2 | 86% | 0.857 | 70% | 0.704 | S | S | * | * | trans | -74 | 88.8 | 168.3 | -168 | 160.9 | -179.8 | 168.2 | 0 | 106.1 | G17 P21 | G17-K19 PolarHBondContact O-N 3.22Å; K19-P21 WeakPolarHBondContact O-CD 3.23Å | ||
| 20 | M | 54.1 | Low | 55.2 | Low | 137 Ų | 137 | 129.6 Ų | 129.6 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | trans | -49.9 | 125.3 | 162 | -75.5 | -174.1 | 162.1 | 0 | 0 | 107.2 | F18 N22 | F18-M20 HydrophobicContact CD1-CE 4.24Å; F18-M20 HydrophobicContact CD1-CG 3.53Å; F18-M20 HydrophobicContact CE1-CB 4.47Å; F18-M20 HydrophobicContact CE1-CE 3.54Å; F18-M20 HydrophobicContact CE1-CG 3.22Å; F18-M20 HydrophobicContact CE1-SD 4.16Å; F18-M20 HydrophobicContact CZ-CG 4.27Å; F18-M20 PolarHBondContact O-N 2.88Å; M20-N22 PolarHBondContact O-N 3.45Å | ||
| 21 | P | 59.3 | Low | 56.9 | Low | 106 Ų | 106 | 129.5 Ų | 129.5 | 69% | 0.688 | 68% | 0.679 | S | S | * | * | trans | -55.1 | 131.7 | 166.2 | -18.5 | 29.5 | 0 | 0 | 0 | 107 | K19 I23 | K19-P21 WeakPolarHBondContact O-CD 3.23Å; P21-I23 WeakPolarHBondContact O-CG1 3.37Å; P21-I23 PolarHBondContact O-N 3.33Å | ||
| 22 | N | 56 | Low | 58.9 | Low | 147 Ų | 147 | 129.2 Ų | 129.2 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | trans | -65.9 | 84.4 | 170.8 | -170.1 | -76.2 | 0 | 0 | 0 | 107.3 | M20 G24 | M20-N22 PolarHBondContact O-N 3.45Å; N22-G24 VanDerWaalsContact C-N 3.29Å; N22-G24 PolarHBondContact O-N 3.39Å | ||
| 23 | I | 58.8 | Low | 60.8 | Low | 142 Ų | 142 | 128.3 Ų | 128.3 | 73% | 0.728 | 66% | 0.655 | S | S | * | * | trans | -67.9 | 97.6 | 167.7 | -1.3 | 170.3 | 0 | 0 | 0 | 104.4 | P21 F25 | P21-I23 WeakPolarHBondContact O-CG1 3.37Å; P21-I23 PolarHBondContact O-N 3.33Å; I23-F25 PolarHBondContact O-N 3.32Å | ||
| 24 | G | 55.5 | Low | 63 | Low | 34 Ų | 34 | 124.3 Ų | 124.3 | 35% | 0.351 | 64% | 0.641 | S | S | . | * | trans | -47.2 | 115.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N22 Q26 N27 | N22-G24 VanDerWaalsContact C-N 3.29Å; N22-G24 PolarHBondContact O-N 3.39Å; G24-Q26 PolarHBondContact O-N 3.46Å; G24-N27 PolarHBondContact O-N 3.35Å | ||
| 25 | F | 53 | Low | 65.3 | Low | 164 Ų | 164 | 123.3 Ų | 123.3 | 72% | 0.719 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -7.1 | 178.3 | -89 | -97.5 | 0 | 0 | 0 | 114.4 | I23 L28 | I23-F25 PolarHBondContact O-N 3.32Å; F25-L28 HydrophobicContact CD1-CD2 4Å; F25-L28 HydrophobicContact CE1-CD2 4.18Å |
| 26 | Q | 55 | Low | 67.2 | Low | 176 Ų | 176 | 117.7 Ų | 117.7 | 82% | 0.822 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -19.6 | -179 | -66 | 176.9 | -24.5 | 0 | 0 | 113.6 | G24 | G24-Q26 PolarHBondContact O-N 3.46Š|
| 27 | N | 56.6 | Low | 69.3 | Low | 101 Ų | 101 | 113 Ų | 113 | 54% | 0.54 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -100.7 | -5.1 | 174.8 | -66.3 | -59.1 | 0 | 0 | 0 | 113.6 | G24 L30 N31 | G24-N27 PolarHBondContact O-N 3.35Å; N27-L30 PolarHBondContact O-N 3.28Å; N27-N31 WeakPolarHBondContact O-CB 3.13Å; N27-N31 VanDerWaalsContact O-CG 3.27Å; N27-N31 PolarHBondContact O-N 2.77Å; N27-N31 PolarHBondContact O-ND2 3.31Å |
| 28 | L | 63 | Low | 71.1 | Confident | 76 Ų | 76 | 111.5 Ų | 111.5 | 40% | 0.398 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -55.7 | -46.7 | 172.6 | -129.3 | 74.5 | 0 | 0 | 0 | 112.9 | F25 L30 N31 I32 | F25-L28 HydrophobicContact CD1-CD2 4Å; F25-L28 HydrophobicContact CE1-CD2 4.18Å; L28-L30 PolarHBondContact O-N 3.02Å; L28-N31 PolarHBondContact O-N 3.22Å; L28-I32 HydrophobicContact CG-CD1 4.21Å; L28-I32 VanDerWaalsContact O-CB 3.31Å; L28-I32 WeakPolarHBondContact O-CB 3.29Å; L28-I32 VanDerWaalsContact O-CD1 3.29Å; L28-I32 WeakPolarHBondContact O-CD1 3.41Å; L28-I32 WeakPolarHBondContact O-CG1 3.35Å; L28-I32 PolarHBondContact O-N 3.19Å |
| 29 | P | 78.8 | Confident | 73.5 | Confident | 86 Ų | 86 | 108.2 Ų | 108.2 | 56% | 0.558 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.4 | -34.7 | -178.6 | 24.9 | -33.6 | 0 | 0 | 0 | 112.9 | Y33 | P29-Y33 VanDerWaalsContact O-CB 3.28Å; P29-Y33 WeakPolarHBondContact O-CB 3.48Å; P29-Y33 PolarHBondContact O-N 2.92Å |
| 30 | L | 82.5 | Confident | 75.5 | Confident | 105 Ų | 105 | 101.6 Ų | 101.6 | 55% | 0.55 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72 | -42.6 | 177.8 | -163.6 | 78.8 | 0 | 0 | 0 | 111.5 | N27 L28 Y33 I34 | N27-L30 PolarHBondContact O-N 3.28Å; L28-L30 PolarHBondContact O-N 3.02Å; L30-Y33 WeakPolarHBondContact O-CB 3.44Å; L30-Y33 PolarHBondContact O-N 3.32Å; L30-I34 HydrophobicContact CG-CD1 4.26Å; L30-I34 VanDerWaalsContact O-CG1 3.27Å; L30-I34 WeakPolarHBondContact O-CG1 3.44Å; L30-I34 PolarHBondContact O-N 3.03Å |
| 31 | N | 80.9 | Confident | 77.5 | Confident | 93 Ų | 93 | 100 Ų | 100 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 176.7 | -70.3 | -12.2 | 0 | 0 | 0 | 111.6 | N27 L28 Y33 I34 V35 | N27-N31 WeakPolarHBondContact O-CB 3.13Å; N27-N31 VanDerWaalsContact O-CG 3.27Å; N27-N31 PolarHBondContact O-N 2.77Å; N27-N31 PolarHBondContact O-ND2 3.31Å; L28-N31 PolarHBondContact O-N 3.22Å; N31-Y33 VanDerWaalsContact C-N 3.32Å; N31-I34 PolarHBondContact O-N 3.07Å; N31-V35 WeakPolarHBondContact O-CG2 3.37Å; N31-V35 PolarHBondContact O-N 3.38Å |
| 32 | I | 86.8 | Confident | 79.3 | Confident | 99 Ų | 99 | 101 Ų | 101 | 51% | 0.508 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.6 | -68.9 | 164.8 | 0 | 0 | 0 | 109.9 | L28 V35 V36 | L28-I32 HydrophobicContact CG-CD1 4.21Å; L28-I32 VanDerWaalsContact O-CB 3.31Å; L28-I32 WeakPolarHBondContact O-CB 3.29Å; L28-I32 VanDerWaalsContact O-CD1 3.29Å; L28-I32 WeakPolarHBondContact O-CD1 3.41Å; L28-I32 WeakPolarHBondContact O-CG1 3.35Å; L28-I32 PolarHBondContact O-N 3.19Å; I32-V35 PolarHBondContact O-N 2.88Å; I32-V36 HydrophobicContact CG2-CG2 4.23Å; I32-V36 WeakPolarHBondContact O-CB 3.41Å; I32-V36 VanDerWaalsContact O-CG2 3.25Å; I32-V36 WeakPolarHBondContact O-CG2 3.48Å; I32-V36 PolarHBondContact O-N 3.02Å |
| 33 | Y | 88.4 | Confident | 81.3 | Confident | 127 Ų | 127 | 98.4 Ų | 98.4 | 50% | 0.498 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59 | -49.4 | 174.3 | -173.9 | -83.4 | 0 | 0 | 0 | 111.3 | P29 L30 N31 V35 V36 F37 | P29-Y33 VanDerWaalsContact O-CB 3.28Å; P29-Y33 WeakPolarHBondContact O-CB 3.48Å; P29-Y33 PolarHBondContact O-N 2.92Å; L30-Y33 WeakPolarHBondContact O-CB 3.44Å; L30-Y33 PolarHBondContact O-N 3.32Å; N31-Y33 VanDerWaalsContact C-N 3.32Å; Y33-V35 VanDerWaalsContact C-N 3.28Å; Y33-V35 PolarHBondContact O-N 2.74Å; Y33-V36 PolarHBondContact O-N 3.5Å; Y33-F37 HydrophobicContact CD1-CB 4.5Å; Y33-F37 AromaticContact CD1-CD2 3.55Å; Y33-F37 HydrophobicContact CD1-CD2 3.55Å; Y33-F37 HydrophobicContact CD1-CE2 4.03Å; Y33-F37 HydrophobicContact CD1-CG 4.05Å; Y33-F37 AromaticContact CD2-CD2 3.51Å; Y33-F37 HydrophobicContact CD2-CD2 3.51Å; Y33-F37 AromaticContact CD2-CE2 3.14Å; Y33-F37 HydrophobicContact CD2-CE2 3.14Å; Y33-F37 AromaticContact CD2-CZ 3.98Å; Y33-F37 HydrophobicContact CD2-CZ 3.98Å; Y33-F37 HydrophobicContact CE1-CB 4.32Å; Y33-F37 HydrophobicContact CE1-CD1 4.1Å; Y33-F37 AromaticContact CE1-CD2 3.46Å; Y33-F37 HydrophobicContact CE1-CD2 3.46Å; Y33-F37 VanDerWaalsContact CE1-CD2 3.46Å; Y33-F37 HydrophobicContact CE1-CE1 4.33Å; Y33-F37 AromaticContact CE1-CE2 3.77Å; Y33-F37 HydrophobicContact CE1-CE2 3.77Å; Y33-F37 AromaticContact CE1-CG 3.66Å; Y33-F37 HydrophobicContact CE1-CG 3.66Å; Y33-F37 HydrophobicContact CE1-CZ 4.18Å; Y33-F37 AromaticContact CE2-CD2 3.47Å; Y33-F37 HydrophobicContact CE2-CD2 3.47Å; Y33-F37 VanDerWaalsContact CE2-CD2 3.47Å; Y33-F37 HydrophobicContact CE2-CE1 4.05Å; Y33-F37 AromaticContact CE2-CE2 2.85Å; Y33-F37 HydrophobicContact CE2-CE2 2.85Å; Y33-F37 HydrophobicContact CE2-CG 4.29Å; Y33-F37 AromaticContact CE2-CZ 3.19Å; Y33-F37 HydrophobicContact CE2-CZ 3.19Å; Y33-F37 AromaticContact CG-CD2 3.55Å; Y33-F37 HydrophobicContact CG-CD2 3.55Å; Y33-F37 AromaticContact CG-CE2 3.73Å; Y33-F37 HydrophobicContact CG-CE2 3.73Å; Y33-F37 HydrophobicContact CG-CG 4.49Å; Y33-F37 AromaticContact CZ-CD1 3.88Å; Y33-F37 AromaticContact CZ-CD2 3.4Å; Y33-F37 AromaticContact CZ-CE1 3.64Å; Y33-F37 AromaticContact CZ-CE2 3.17Å; Y33-F37 AromaticContact CZ-CG 3.77Å; Y33-F37 AromaticContact CZ-CZ 3.28Å; Y33-F37 WeakPolarHBondContact O-CB 2.97Å; Y33-F37 WeakPolarHBondContact O-CD2 3.38Å; Y33-F37 PolarHBondContact O-N 3.03Å; Y33-F37 VanDerWaalsContact OH-CE1 3.26Å; Y33-F37 WeakPolarHBondContact OH-CE1 3.24Å; Y33-F37 VanDerWaalsContact OH-CZ 3.24Å; Y33-F37 WeakPolarHBondContact OH-CZ 3.45Å |
| 34 | I | 89.3 | Confident | 83.1 | Confident | 100 Ų | 100 | 97.6 Ų | 97.6 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.5 | -40.6 | 179.4 | -67.9 | 162.7 | 0 | 0 | 0 | 111.6 | L30 N31 G38 | L30-I34 HydrophobicContact CG-CD1 4.26Å; L30-I34 VanDerWaalsContact O-CG1 3.27Å; L30-I34 WeakPolarHBondContact O-CG1 3.44Å; L30-I34 PolarHBondContact O-N 3.03Å; N31-I34 PolarHBondContact O-N 3.07Å; I34-G38 WeakPolarHBondContact O-CA 3.47Å; I34-G38 PolarHBondContact O-N 3.39Å |
| 35 | V | 92.2 | Very high | 85.1 | Confident | 95 Ų | 95 | 99.7 Ų | 99.7 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.5 | -44.8 | 178.2 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | N31 I32 Y33 T39 | N31-V35 WeakPolarHBondContact O-CG2 3.37Å; N31-V35 PolarHBondContact O-N 3.38Å; I32-V35 PolarHBondContact O-N 2.88Å; Y33-V35 VanDerWaalsContact C-N 3.28Å; Y33-V35 PolarHBondContact O-N 2.74Å; V35-T39 HydrophobicContact CG1-CG2 4.48Å; V35-T39 WeakPolarHBondContact O-CB 3.37Å; V35-T39 VanDerWaalsContact O-CG2 3.24Å; V35-T39 WeakPolarHBondContact O-CG2 3.29Å; V35-T39 PolarHBondContact O-N 3.36Å; V35-T39 PolarHBondContact O-OG1 3.09Å |
| 36 | V | 93.3 | Very high | 87.1 | Confident | 79 Ų | 79 | 95.9 Ų | 95.9 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -45.3 | -179.6 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | I32 Y33 T39 A40 | I32-V36 HydrophobicContact CG2-CG2 4.23Å; I32-V36 WeakPolarHBondContact O-CB 3.41Å; I32-V36 VanDerWaalsContact O-CG2 3.25Å; I32-V36 WeakPolarHBondContact O-CG2 3.48Å; I32-V36 PolarHBondContact O-N 3.02Å; Y33-V36 PolarHBondContact O-N 3.5Å; V36-T39 PolarHBondContact O-OG1 3.44Å; V36-A40 VanDerWaalsContact O-CB 3.26Å; V36-A40 WeakPolarHBondContact O-CB 3.49Å; V36-A40 PolarHBondContact O-N 3.14Å |
| 37 | F | 95.2 | Very high | 89.1 | Confident | 94 Ų | 94 | 90.5 Ų | 90.5 | 41% | 0.412 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.7 | -39.8 | 177.5 | -79.3 | -97.7 | 0 | 0 | 0 | 111.4 | Y33 A40 I41 | Y33-F37 HydrophobicContact CD1-CB 4.5Å; Y33-F37 AromaticContact CD1-CD2 3.55Å; Y33-F37 HydrophobicContact CD1-CD2 3.55Å; Y33-F37 HydrophobicContact CD1-CE2 4.03Å; Y33-F37 HydrophobicContact CD1-CG 4.05Å; Y33-F37 AromaticContact CD2-CD2 3.51Å; Y33-F37 HydrophobicContact CD2-CD2 3.51Å; Y33-F37 AromaticContact CD2-CE2 3.14Å; Y33-F37 HydrophobicContact CD2-CE2 3.14Å; Y33-F37 AromaticContact CD2-CZ 3.98Å; Y33-F37 HydrophobicContact CD2-CZ 3.98Å; Y33-F37 HydrophobicContact CE1-CB 4.32Å; Y33-F37 HydrophobicContact CE1-CD1 4.1Å; Y33-F37 AromaticContact CE1-CD2 3.46Å; Y33-F37 HydrophobicContact CE1-CD2 3.46Å; Y33-F37 VanDerWaalsContact CE1-CD2 3.46Å; Y33-F37 HydrophobicContact CE1-CE1 4.33Å; Y33-F37 AromaticContact CE1-CE2 3.77Å; Y33-F37 HydrophobicContact CE1-CE2 3.77Å; Y33-F37 AromaticContact CE1-CG 3.66Å; Y33-F37 HydrophobicContact CE1-CG 3.66Å; Y33-F37 HydrophobicContact CE1-CZ 4.18Å; Y33-F37 AromaticContact CE2-CD2 3.47Å; Y33-F37 HydrophobicContact CE2-CD2 3.47Å; Y33-F37 VanDerWaalsContact CE2-CD2 3.47Å; Y33-F37 HydrophobicContact CE2-CE1 4.05Å; Y33-F37 AromaticContact CE2-CE2 2.85Å; Y33-F37 HydrophobicContact CE2-CE2 2.85Å; Y33-F37 HydrophobicContact CE2-CG 4.29Å; Y33-F37 AromaticContact CE2-CZ 3.19Å; Y33-F37 HydrophobicContact CE2-CZ 3.19Å; Y33-F37 AromaticContact CG-CD2 3.55Å; Y33-F37 HydrophobicContact CG-CD2 3.55Å; Y33-F37 AromaticContact CG-CE2 3.73Å; Y33-F37 HydrophobicContact CG-CE2 3.73Å; Y33-F37 HydrophobicContact CG-CG 4.49Å; Y33-F37 AromaticContact CZ-CD1 3.88Å; Y33-F37 AromaticContact CZ-CD2 3.4Å; Y33-F37 AromaticContact CZ-CE1 3.64Å; Y33-F37 AromaticContact CZ-CE2 3.17Å; Y33-F37 AromaticContact CZ-CG 3.77Å; Y33-F37 AromaticContact CZ-CZ 3.28Å; Y33-F37 WeakPolarHBondContact O-CB 2.97Å; Y33-F37 WeakPolarHBondContact O-CD2 3.38Å; Y33-F37 PolarHBondContact O-N 3.03Å; Y33-F37 VanDerWaalsContact OH-CE1 3.26Å; Y33-F37 WeakPolarHBondContact OH-CE1 3.24Å; Y33-F37 VanDerWaalsContact OH-CZ 3.24Å; Y33-F37 WeakPolarHBondContact OH-CZ 3.45Å; F37-A40 PolarHBondContact O-N 3.31Å; F37-I41 WeakPolarHBondContact O-CB 3.15Å; F37-I41 WeakPolarHBondContact O-CD1 3.5Å; F37-I41 WeakPolarHBondContact O-CG1 3.39Å; F37-I41 PolarHBondContact O-N 3.05Å |
| 38 | G | 95.2 | Very high | 91 | Very high | 38 Ų | 38 | 89.3 Ų | 89.3 | 39% | 0.392 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I34 F42 | I34-G38 WeakPolarHBondContact O-CA 3.47Å; I34-G38 PolarHBondContact O-N 3.39Å; G38-F42 VanDerWaalsContact O-CB 3.22Å; G38-F42 WeakPolarHBondContact O-CB 3.45Å; G38-F42 PolarHBondContact O-N 2.86Å |
| 39 | T | 95.6 | Very high | 92.5 | Very high | 77 Ų | 77 | 90.8 Ų | 90.8 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 176.4 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | V35 V36 F42 V43 | V35-T39 HydrophobicContact CG1-CG2 4.48Å; V35-T39 WeakPolarHBondContact O-CB 3.37Å; V35-T39 VanDerWaalsContact O-CG2 3.24Å; V35-T39 WeakPolarHBondContact O-CG2 3.29Å; V35-T39 PolarHBondContact O-N 3.36Å; V35-T39 PolarHBondContact O-OG1 3.09Å; V36-T39 PolarHBondContact O-OG1 3.44Å; T39-F42 PolarHBondContact O-N 3.36Å; T39-V43 WeakPolarHBondContact O-CB 3.03Å; T39-V43 VanDerWaalsContact O-CG2 3.25Å; T39-V43 WeakPolarHBondContact O-CG2 3.23Å; T39-V43 PolarHBondContact O-N 3.2Å |
| 40 | A | 95.9 | Very high | 93.3 | Very high | 57 Ų | 57 | 92.6 Ų | 92.6 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V36 F37 V43 F44 | V36-A40 VanDerWaalsContact O-CB 3.26Å; V36-A40 WeakPolarHBondContact O-CB 3.49Å; V36-A40 PolarHBondContact O-N 3.14Å; F37-A40 PolarHBondContact O-N 3.31Å; A40-V43 PolarHBondContact O-N 3.21Å; A40-F44 VanDerWaalsContact O-CB 3.3Å; A40-F44 WeakPolarHBondContact O-CB 3.42Å; A40-F44 PolarHBondContact O-N 3.44Å |
| 41 | I | 96.8 | Very high | 93.9 | Very high | 103 Ų | 103 | 90.2 Ų | 90.2 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 175.6 | -68.1 | 165.2 | 0 | 0 | 0 | 109.8 | F37 V43 F44 I45 | F37-I41 WeakPolarHBondContact O-CB 3.15Å; F37-I41 WeakPolarHBondContact O-CD1 3.5Å; F37-I41 WeakPolarHBondContact O-CG1 3.39Å; F37-I41 PolarHBondContact O-N 3.05Å; I41-V43 PolarHBondContact O-N 3.32Å; I41-F44 PolarHBondContact O-N 3.2Å; I41-I45 HydrophobicContact CG2-CG1 4.05Å; I41-I45 WeakPolarHBondContact O-CB 3.41Å; I41-I45 WeakPolarHBondContact O-CG1 3.27Å; I41-I45 PolarHBondContact O-N 2.9Å |
| 42 | F | 97.1 | Very high | 94.5 | Very high | 127 Ų | 127 | 89.2 Ų | 89.2 | 56% | 0.557 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.8 | -47.2 | 178.8 | -178.8 | -105.6 | 0 | 0 | 0 | 111.9 | G38 T39 F44 I45 L46 | G38-F42 VanDerWaalsContact O-CB 3.22Å; G38-F42 WeakPolarHBondContact O-CB 3.45Å; G38-F42 PolarHBondContact O-N 2.86Å; T39-F42 PolarHBondContact O-N 3.36Å; F42-F44 VanDerWaalsContact C-N 3.32Å; F42-F44 PolarHBondContact O-N 3.17Å; F42-I45 PolarHBondContact O-N 3.19Å; F42-L46 HydrophobicContact CD1-CD1 3.82Å; F42-L46 HydrophobicContact CD1-CG 4.27Å; F42-L46 HydrophobicContact CE1-CD1 3.24Å; F42-L46 HydrophobicContact CE1-CG 3.97Å; F42-L46 HydrophobicContact CE2-CD1 4.27Å; F42-L46 HydrophobicContact CE2-CD2 4.3Å; F42-L46 HydrophobicContact CE2-CG 4.2Å; F42-L46 HydrophobicContact CZ-CD1 3.51Å; F42-L46 HydrophobicContact CZ-CD2 4.16Å; F42-L46 HydrophobicContact CZ-CG 3.93Å; F42-L46 WeakPolarHBondContact O-CB 3.35Å; F42-L46 WeakPolarHBondContact O-CG 3.42Å; F42-L46 PolarHBondContact O-N 2.88Å |
| 43 | V | 97 | Very high | 94.9 | Very high | 94 Ų | 94 | 91 Ų | 91 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | 176.1 | 171 | 0 | 0 | 0 | 0 | 111.1 | T39 A40 I41 L46 S47 | T39-V43 WeakPolarHBondContact O-CB 3.03Å; T39-V43 VanDerWaalsContact O-CG2 3.25Å; T39-V43 WeakPolarHBondContact O-CG2 3.23Å; T39-V43 PolarHBondContact O-N 3.2Å; A40-V43 PolarHBondContact O-N 3.21Å; I41-V43 PolarHBondContact O-N 3.32Å; V43-L46 PolarHBondContact O-N 3.16Å; V43-S47 VanDerWaalsContact O-CB 3.24Å; V43-S47 WeakPolarHBondContact O-CB 3.19Å; V43-S47 PolarHBondContact O-N 3.02Å |
| 44 | F | 97.4 | Very high | 95 | Very high | 124 Ų | 124 | 88.7 Ų | 88.7 | 54% | 0.544 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 176.4 | -176 | -105.1 | 0 | 0 | 0 | 111.8 | A40 I41 F42 S47 L48 | A40-F44 VanDerWaalsContact O-CB 3.3Å; A40-F44 WeakPolarHBondContact O-CB 3.42Å; A40-F44 PolarHBondContact O-N 3.44Å; I41-F44 PolarHBondContact O-N 3.2Å; F42-F44 VanDerWaalsContact C-N 3.32Å; F42-F44 PolarHBondContact O-N 3.17Å; F44-S47 WeakPolarHBondContact O-CB 3.45Å; F44-S47 PolarHBondContact O-N 2.84Å; F44-L48 HydrophobicContact CD1-CD1 3.89Å; F44-L48 HydrophobicContact CD1-CG 4.26Å; F44-L48 HydrophobicContact CE1-CD1 3.34Å; F44-L48 HydrophobicContact CE1-CG 3.95Å; F44-L48 HydrophobicContact CE2-CD2 4.5Å; F44-L48 HydrophobicContact CE2-CG 4.46Å; F44-L48 HydrophobicContact CZ-CD1 3.78Å; F44-L48 HydrophobicContact CZ-CD2 4.17Å; F44-L48 HydrophobicContact CZ-CG 4.05Å; F44-L48 WeakPolarHBondContact O-CG 3.38Å; F44-L48 PolarHBondContact O-N 3.25Å |
| 45 | I | 96.8 | Very high | 95 | Very high | 79 Ų | 79 | 88.5 Ų | 88.5 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 177 | -66.1 | -63.4 | 0 | 0 | 0 | 110.6 | I41 F42 S47 L48 L49 | I41-I45 HydrophobicContact CG2-CG1 4.05Å; I41-I45 WeakPolarHBondContact O-CB 3.41Å; I41-I45 WeakPolarHBondContact O-CG1 3.27Å; I41-I45 PolarHBondContact O-N 2.9Å; F42-I45 PolarHBondContact O-N 3.19Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.22Å; I45-L48 PolarHBondContact O-N 2.96Å; I45-L49 HydrophobicContact CG2-CD1 3.89Å; I45-L49 HydrophobicContact CG2-CG 4.21Å; I45-L49 WeakPolarHBondContact O-CB 3.42Å; I45-L49 VanDerWaalsContact O-CG 3.23Å; I45-L49 WeakPolarHBondContact O-CG 3.14Å; I45-L49 PolarHBondContact O-N 3Å |
| 46 | L | 95.9 | Very high | 94.7 | Very high | 84 Ų | 84 | 92.5 Ų | 92.5 | 44% | 0.44 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 175.3 | -73.1 | -172 | 0 | 0 | 0 | 111.9 | F42 V43 L49 F50 | F42-L46 HydrophobicContact CD1-CD1 3.82Å; F42-L46 HydrophobicContact CD1-CG 4.27Å; F42-L46 HydrophobicContact CE1-CD1 3.24Å; F42-L46 HydrophobicContact CE1-CG 3.97Å; F42-L46 HydrophobicContact CE2-CD1 4.27Å; F42-L46 HydrophobicContact CE2-CD2 4.3Å; F42-L46 HydrophobicContact CE2-CG 4.2Å; F42-L46 HydrophobicContact CZ-CD1 3.51Å; F42-L46 HydrophobicContact CZ-CD2 4.16Å; F42-L46 HydrophobicContact CZ-CG 3.93Å; F42-L46 WeakPolarHBondContact O-CB 3.35Å; F42-L46 WeakPolarHBondContact O-CG 3.42Å; F42-L46 PolarHBondContact O-N 2.88Å; V43-L46 PolarHBondContact O-N 3.16Å; L46-L49 PolarHBondContact O-N 3.48Å; L46-F50 WeakPolarHBondContact O-CB 3.2Å; L46-F50 PolarHBondContact O-N 3.48Å |
| 47 | S | 96.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 92.4 Ų | 92.4 | 43% | 0.434 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 175.6 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | V43 F44 I45 F50 C51 | V43-S47 VanDerWaalsContact O-CB 3.24Å; V43-S47 WeakPolarHBondContact O-CB 3.19Å; V43-S47 PolarHBondContact O-N 3.02Å; F44-S47 WeakPolarHBondContact O-CB 3.45Å; F44-S47 PolarHBondContact O-N 2.84Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.22Å; S47-F50 PolarHBondContact O-N 3.41Å; S47-C51 VanDerWaalsContact O-CB 3.24Å; S47-C51 WeakPolarHBondContact O-CB 3.48Å; S47-C51 PolarHBondContact O-N 2.94Å; S47-C51 PolarHBondContact O-SG 3.18Å |
| 48 | L | 95.8 | Very high | 93.4 | Very high | 77 Ų | 77 | 95.9 Ų | 95.9 | 40% | 0.403 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 175.2 | -72.1 | -173.7 | 0 | 0 | 0 | 112.1 | F44 I45 C51 C52 | F44-L48 HydrophobicContact CD1-CD1 3.89Å; F44-L48 HydrophobicContact CD1-CG 4.26Å; F44-L48 HydrophobicContact CE1-CD1 3.34Å; F44-L48 HydrophobicContact CE1-CG 3.95Å; F44-L48 HydrophobicContact CE2-CD2 4.5Å; F44-L48 HydrophobicContact CE2-CG 4.46Å; F44-L48 HydrophobicContact CZ-CD1 3.78Å; F44-L48 HydrophobicContact CZ-CD2 4.17Å; F44-L48 HydrophobicContact CZ-CG 4.05Å; F44-L48 WeakPolarHBondContact O-CG 3.38Å; F44-L48 PolarHBondContact O-N 3.25Å; I45-L48 PolarHBondContact O-N 2.96Å; L48-C51 PolarHBondContact O-N 2.85Å; L48-C52 VanDerWaalsContact O-CB 3.23Å; L48-C52 WeakPolarHBondContact O-CB 3.16Å; L48-C52 PolarHBondContact O-N 3.4Å; L48-C52 PolarHBondContact O-SG 3.04Å |
| 49 | L | 95.5 | Very high | 92.5 | Very high | 106 Ų | 106 | 99 Ų | 99 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.6 | -43.4 | 176.3 | -70.9 | 176.1 | 0 | 0 | 0 | 111.2 | I45 L46 C52 Y53 | I45-L49 HydrophobicContact CG2-CD1 3.89Å; I45-L49 HydrophobicContact CG2-CG 4.21Å; I45-L49 WeakPolarHBondContact O-CB 3.42Å; I45-L49 VanDerWaalsContact O-CG 3.23Å; I45-L49 WeakPolarHBondContact O-CG 3.14Å; I45-L49 PolarHBondContact O-N 3Å; L46-L49 PolarHBondContact O-N 3.48Å; L49-C52 PolarHBondContact O-N 2.96Å; L49-Y53 VanDerWaalsContact O-CB 3.23Å; L49-Y53 WeakPolarHBondContact O-CB 3.38Å; L49-Y53 PolarHBondContact O-N 3.11Å |
| 50 | F | 96 | Very high | 91.3 | Very high | 125 Ų | 125 | 101.9 Ų | 101.9 | 55% | 0.548 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 175.8 | -176.6 | -105.8 | 0 | 0 | 0 | 111.6 | L46 S47 C52 Y53 L54 | L46-F50 WeakPolarHBondContact O-CB 3.2Å; L46-F50 PolarHBondContact O-N 3.48Å; S47-F50 PolarHBondContact O-N 3.41Å; F50-C52 VanDerWaalsContact C-N 3.33Å; F50-C52 PolarHBondContact O-N 2.88Å; F50-Y53 WeakPolarHBondContact O-CB 3.32Å; F50-Y53 PolarHBondContact O-N 3.28Å; F50-L54 HydrophobicContact CD1-CD1 3.91Å; F50-L54 HydrophobicContact CD1-CG 4.22Å; F50-L54 HydrophobicContact CE1-CD1 3.29Å; F50-L54 HydrophobicContact CE1-CD2 4.47Å; F50-L54 HydrophobicContact CE1-CG 3.85Å; F50-L54 HydrophobicContact CE2-CD1 4.49Å; F50-L54 HydrophobicContact CE2-CD2 4.26Å; F50-L54 HydrophobicContact CE2-CG 4.25Å; F50-L54 HydrophobicContact CZ-CD1 3.64Å; F50-L54 HydrophobicContact CZ-CD2 3.99Å; F50-L54 HydrophobicContact CZ-CG 3.87Å; F50-L54 WeakPolarHBondContact O-CG 3.46Å; F50-L54 PolarHBondContact O-N 2.93Å |
| 51 | C | 95.5 | Very high | 89.7 | Confident | 55 Ų | 55 | 102.1 Ų | 102.1 | 37% | 0.372 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 172.6 | -73.6 | 0 | 0 | 0 | 0 | 110.8 | S47 L48 Y53 L54 I55 | S47-C51 VanDerWaalsContact O-CB 3.24Å; S47-C51 WeakPolarHBondContact O-CB 3.48Å; S47-C51 PolarHBondContact O-N 2.94Å; S47-C51 PolarHBondContact O-SG 3.18Å; L48-C51 PolarHBondContact O-N 2.85Å; C51-Y53 VanDerWaalsContact C-N 3.31Å; C51-Y53 PolarHBondContact O-N 3.14Å; C51-L54 PolarHBondContact O-N 3.45Å; C51-I55 VanDerWaalsContact O-CB 3.24Å; C51-I55 WeakPolarHBondContact O-CB 3.4Å; C51-I55 WeakPolarHBondContact O-CD1 3.2Å; C51-I55 WeakPolarHBondContact O-CG1 3.41Å; C51-I55 PolarHBondContact O-N 3.47Å |
| 52 | C | 93.5 | Very high | 88.1 | Confident | 71 Ų | 71 | 101.3 Ų | 101.3 | 48% | 0.48 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 176.7 | -72.8 | 0 | 0 | 0 | 0 | 110.9 | L48 L49 F50 I55 R56 | L48-C52 VanDerWaalsContact O-CB 3.23Å; L48-C52 WeakPolarHBondContact O-CB 3.16Å; L48-C52 PolarHBondContact O-N 3.4Å; L48-C52 PolarHBondContact O-SG 3.04Å; L49-C52 PolarHBondContact O-N 2.96Å; F50-C52 VanDerWaalsContact C-N 3.33Å; F50-C52 PolarHBondContact O-N 2.88Å; C52-I55 PolarHBondContact O-N 3.32Å; C52-R56 WeakPolarHBondContact O-CB 3.44Å; C52-R56 WeakPolarHBondContact O-CG 3.49Å; C52-R56 PolarHBondContact O-N 2.78Å |
| 53 | Y | 93.5 | Very high | 86.1 | Confident | 138 Ų | 138 | 101.7 Ų | 101.7 | 54% | 0.541 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 176 | 178.4 | -98.5 | 0 | 0 | 0 | 111.1 | L49 F50 C51 I55 R56 L57 | L49-Y53 VanDerWaalsContact O-CB 3.23Å; L49-Y53 WeakPolarHBondContact O-CB 3.38Å; L49-Y53 PolarHBondContact O-N 3.11Å; F50-Y53 WeakPolarHBondContact O-CB 3.32Å; F50-Y53 PolarHBondContact O-N 3.28Å; C51-Y53 VanDerWaalsContact C-N 3.31Å; C51-Y53 PolarHBondContact O-N 3.14Å; Y53-I55 PolarHBondContact O-N 2.98Å; Y53-R56 CarbonylContact O-C 3.56Å; Y53-R56 WeakPolarHBondContact O-CB 3.24Å; Y53-R56 PolarHBondContact O-N 3.42Å; Y53-R56 VanDerWaalsContact O-N 3.15Å; Y53-L57 HydrophobicContact CD1-CD1 3.91Å; Y53-L57 HydrophobicContact CD1-CD2 4.24Å; Y53-L57 HydrophobicContact CD2-CD1 3.74Å; Y53-L57 HydrophobicContact CE1-CD1 3.57Å; Y53-L57 HydrophobicContact CE1-CD2 3.5Å; Y53-L57 VanDerWaalsContact CE1-CD2 3.5Å; Y53-L57 HydrophobicContact CE1-CG 4.18Å; Y53-L57 HydrophobicContact CE2-CD1 3.39Å; Y53-L57 HydrophobicContact CG-CD1 3.99Å; Y53-L57 WeakPolarHBondContact O-CB 3.23Å; Y53-L57 VanDerWaalsContact O-CD1 3.24Å; Y53-L57 WeakPolarHBondContact O-CD1 3.44Å; Y53-L57 PolarHBondContact O-N 2.93Å |
| 54 | L | 91 | Very high | 84.3 | Confident | 78 Ų | 78 | 103.3 Ų | 103.3 | 41% | 0.408 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 176.2 | -69.7 | -172.3 | 0 | 0 | 0 | 112.3 | F50 C51 R56 L57 R58 | F50-L54 HydrophobicContact CD1-CD1 3.91Å; F50-L54 HydrophobicContact CD1-CG 4.22Å; F50-L54 HydrophobicContact CE1-CD1 3.29Å; F50-L54 HydrophobicContact CE1-CD2 4.47Å; F50-L54 HydrophobicContact CE1-CG 3.85Å; F50-L54 HydrophobicContact CE2-CD1 4.49Å; F50-L54 HydrophobicContact CE2-CD2 4.26Å; F50-L54 HydrophobicContact CE2-CG 4.25Å; F50-L54 HydrophobicContact CZ-CD1 3.64Å; F50-L54 HydrophobicContact CZ-CD2 3.99Å; F50-L54 HydrophobicContact CZ-CG 3.87Å; F50-L54 WeakPolarHBondContact O-CG 3.46Å; F50-L54 PolarHBondContact O-N 2.93Å; C51-L54 PolarHBondContact O-N 3.45Å; L54-R56 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 2.83Å; L54-L57 PolarHBondContact O-N 3.28Å; L54-R58 VanDerWaalsContact O-CB 3.23Å; L54-R58 WeakPolarHBondContact O-CB 3.23Å; L54-R58 PolarHBondContact O-N 3.47Å |
| 55 | I | 88.9 | Confident | 82.4 | Confident | 96 Ų | 96 | 101 Ų | 101 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 175 | -69.8 | 164.2 | 0 | 0 | 0 | 109.7 | C51 C52 Y53 R58 H59 | C51-I55 VanDerWaalsContact O-CB 3.24Å; C51-I55 WeakPolarHBondContact O-CB 3.4Å; C51-I55 WeakPolarHBondContact O-CD1 3.2Å; C51-I55 WeakPolarHBondContact O-CG1 3.41Å; C51-I55 PolarHBondContact O-N 3.47Å; C52-I55 PolarHBondContact O-N 3.32Å; Y53-I55 PolarHBondContact O-N 2.98Å; I55-R58 PolarHBondContact O-N 2.74Å; I55-H59 WeakPolarHBondContact O-CA 3.47Å; I55-H59 WeakPolarHBondContact O-CB 3.47Å; I55-H59 PolarHBondContact O-N 2.98Å |
| 56 | R | 87.2 | Confident | 80 | Confident | 179 Ų | 179 | 103 Ų | 103 | 68% | 0.675 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67 | -41.7 | 176.9 | -73.3 | -78.6 | -169.8 | -178.4 | 4.1 | 111.6 | C52 Y53 L54 H59 Q60 | C52-R56 WeakPolarHBondContact O-CB 3.44Å; C52-R56 WeakPolarHBondContact O-CG 3.49Å; C52-R56 PolarHBondContact O-N 2.78Å; Y53-R56 CarbonylContact O-C 3.56Å; Y53-R56 WeakPolarHBondContact O-CB 3.24Å; Y53-R56 PolarHBondContact O-N 3.42Å; Y53-R56 VanDerWaalsContact O-N 3.15Å; L54-R56 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 2.83Å; R56-H59 CarbonylContact O-C 3.57Å; R56-H59 PolarHBondContact O-N 3.44Å; R56-Q60 VanDerWaalsContact O-CB 3.28Å; R56-Q60 WeakPolarHBondContact O-CB 3.42Å; R56-Q60 PolarHBondContact O-N 2.74Å |
| 57 | L | 82.2 | Confident | 77.9 | Confident | 77 Ų | 77 | 103.1 Ų | 103.1 | 40% | 0.403 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 173.8 | -98.5 | 65.5 | 0 | 0 | 0 | 110.6 | Y53 L54 H59 Q60 A61 | Y53-L57 HydrophobicContact CD1-CD1 3.91Å; Y53-L57 HydrophobicContact CD1-CD2 4.24Å; Y53-L57 HydrophobicContact CD2-CD1 3.74Å; Y53-L57 HydrophobicContact CE1-CD1 3.57Å; Y53-L57 HydrophobicContact CE1-CD2 3.5Å; Y53-L57 VanDerWaalsContact CE1-CD2 3.5Å; Y53-L57 HydrophobicContact CE1-CG 4.18Å; Y53-L57 HydrophobicContact CE2-CD1 3.39Å; Y53-L57 HydrophobicContact CG-CD1 3.99Å; Y53-L57 WeakPolarHBondContact O-CB 3.23Å; Y53-L57 VanDerWaalsContact O-CD1 3.24Å; Y53-L57 WeakPolarHBondContact O-CD1 3.44Å; Y53-L57 PolarHBondContact O-N 2.93Å; L54-L57 PolarHBondContact O-N 3.28Å; L57-H59 VanDerWaalsContact C-N 3.3Å; L57-H59 PolarHBondContact O-N 2.86Å; L57-Q60 PolarHBondContact O-N 3.35Å; L57-A61 PolarHBondContact O-N 3.41Å |
| 58 | R | 78.9 | Confident | 75.8 | Confident | 167 Ų | 167 | 101.6 Ų | 101.6 | 63% | 0.63 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -39.3 | 175.7 | -168.7 | 176.2 | 72.2 | 108.8 | -2.1 | 111.3 | L54 I55 A61 H62 | L54-R58 VanDerWaalsContact O-CB 3.23Å; L54-R58 WeakPolarHBondContact O-CB 3.23Å; L54-R58 PolarHBondContact O-N 3.47Å; I55-R58 PolarHBondContact O-N 2.74Å; R58-A61 PolarHBondContact O-N 2.83Å; R58-H62 WeakPolarHBondContact O-CB 3.28Å; R58-H62 PolarHBondContact O-N 3.07Å |
| 59 | H | 75 | Confident | 73.4 | Confident | 104 Ų | 104 | 104.8 Ų | 104.8 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71 | -34.2 | 178.3 | -171.5 | -97.9 | 0 | 0 | 0 | 111.6 | I55 R56 L57 H62 K63 | I55-H59 WeakPolarHBondContact O-CA 3.47Å; I55-H59 WeakPolarHBondContact O-CB 3.47Å; I55-H59 PolarHBondContact O-N 2.98Å; R56-H59 CarbonylContact O-C 3.57Å; R56-H59 PolarHBondContact O-N 3.44Å; L57-H59 VanDerWaalsContact C-N 3.3Å; L57-H59 PolarHBondContact O-N 2.86Å; H59-H62 CarbonylContact O-C 3.56Å; H59-H62 PolarHBondContact O-N 3.09Å; H59-K63 VanDerWaalsContact O-CB 3.31Å; H59-K63 WeakPolarHBondContact O-CB 3.03Å; H59-K63 PolarHBondContact O-N 2.94Å |
| 60 | Q | 70.8 | Confident | 71.3 | Confident | 136 Ų | 136 | 105.4 Ų | 105.4 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.1 | -43.8 | 173.6 | -171.7 | 164.8 | -38 | 0 | 0 | 110.4 | R56 L57 H62 K63 E64 | R56-Q60 VanDerWaalsContact O-CB 3.28Å; R56-Q60 WeakPolarHBondContact O-CB 3.42Å; R56-Q60 PolarHBondContact O-N 2.74Å; L57-Q60 PolarHBondContact O-N 3.35Å; Q60-H62 VanDerWaalsContact C-N 3.31Å; Q60-H62 PolarHBondContact O-N 3.07Å; Q60-K63 PolarHBondContact O-N 3.05Å; Q60-K63 VanDerWaalsContact O-N 3.15Å; Q60-E64 PolarHBondContact O-N 3.15Å |
| 61 | A | 63.3 | Low | 69.2 | Low | 62 Ų | 62 | 103.1 Ų | 103.1 | 51% | 0.512 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | L57 R58 | L57-A61 PolarHBondContact O-N 3.41Å; R58-A61 PolarHBondContact O-N 2.83Å |
| 62 | H | 63.2 | Low | 67.5 | Low | 87 Ų | 87 | 101 Ų | 101 | 40% | 0.403 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.7 | -27.6 | 173.9 | -109.8 | -87.5 | 0 | 0 | 0 | 113.4 | R58 H59 Q60 L65 Y66 | R58-H62 WeakPolarHBondContact O-CB 3.28Å; R58-H62 PolarHBondContact O-N 3.07Å; H59-H62 CarbonylContact O-C 3.56Å; H59-H62 PolarHBondContact O-N 3.09Å; Q60-H62 VanDerWaalsContact C-N 3.31Å; Q60-H62 PolarHBondContact O-N 3.07Å; H62-L65 CarbonylContact O-C 3.58Å; H62-L65 WeakPolarHBondContact O-CB 3.31Å; H62-L65 PolarHBondContact O-N 3.5Å; H62-Y66 AromaticContact ND1-CD2 3.96Å; H62-Y66 AromaticContact ND1-CE2 3.88Å; H62-Y66 WeakPolarHBondContact O-CB 3.44Å; H62-Y66 WeakPolarHBondContact O-CD2 3.47Å; H62-Y66 PolarHBondContact O-N 3.3Å |
| 63 | K | 55.4 | Low | 65.8 | Low | 134 Ų | 134 | 103.5 Ų | 103.5 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.3 | -39.7 | 180 | -126.4 | -175.6 | 177.4 | -168.5 | 0 | 111.1 | H59 Q60 L65 Y66 A67 | H59-K63 VanDerWaalsContact O-CB 3.31Å; H59-K63 WeakPolarHBondContact O-CB 3.03Å; H59-K63 PolarHBondContact O-N 2.94Å; Q60-K63 PolarHBondContact O-N 3.05Å; Q60-K63 VanDerWaalsContact O-N 3.15Å; K63-L65 PolarHBondContact O-N 2.95Å; K63-Y66 CarbonylContact O-C 3.58Å; K63-Y66 PolarHBondContact O-N 2.9Å; K63-Y66 VanDerWaalsContact O-N 3.07Å; K63-A67 PolarHBondContact O-N 2.74Å |
| 64 | E | 58.8 | Low | 64 | Low | 129 Ų | 129 | 100 Ų | 100 | 60% | 0.603 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.2 | -35 | 172.2 | -61.9 | -58.2 | 121.5 | 0 | 0 | 111.5 | Q60 | Q60-E64 PolarHBondContact O-N 3.15Å |
| 65 | L | 57.2 | Low | 62.4 | Low | 76 Ų | 76 | 102.9 Ų | 102.9 | 40% | 0.398 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -76.4 | -28 | 172.4 | -68.6 | 170.4 | 0 | 0 | 0 | 113.2 | H62 K63 | H62-L65 CarbonylContact O-C 3.58Å; H62-L65 WeakPolarHBondContact O-CB 3.31Å; H62-L65 PolarHBondContact O-N 3.5Å; K63-L65 PolarHBondContact O-N 2.95Å |
| 66 | Y | 47.2 | Very low | 60.9 | Low | 121 Ų | 121 | 103.2 Ų | 103.2 | 48% | 0.475 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -85.8 | -12.5 | 179.5 | -102.4 | -93.2 | 0 | 0 | 0 | 114.1 | H62 K63 Y68 K69 R110 | H62-Y66 AromaticContact ND1-CD2 3.96Å; H62-Y66 AromaticContact ND1-CE2 3.88Å; H62-Y66 WeakPolarHBondContact O-CB 3.44Å; H62-Y66 WeakPolarHBondContact O-CD2 3.47Å; H62-Y66 PolarHBondContact O-N 3.3Å; K63-Y66 CarbonylContact O-C 3.58Å; K63-Y66 PolarHBondContact O-N 2.9Å; K63-Y66 VanDerWaalsContact O-N 3.07Å; Y66-Y68 PolarHBondContact O-N 2.79Å; Y66-Y68 VanDerWaalsContact O-N 3.11Å; Y66-K69 WeakPolarHBondContact O-CB 3.24Å; Y66-K69 PolarHBondContact O-N 2.97Å; Y66-R110 PolarHBondContact OH-NH2 3.12Å |
| 67 | A | 50.4 | Low | 59.7 | Low | 85 Ų | 85 | 94.9 Ų | 94.9 | 70% | 0.702 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K63 K69 | K63-A67 PolarHBondContact O-N 2.74Å; A67-K69 PolarHBondContact O-N 3.01Å |
| 68 | Y | 53.5 | Low | 58.5 | Low | 30 Ų | 30 | 98.5 Ų | 98.5 | 12% | 0.118 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 2 | 170.8 | 163.5 | -97.3 | 0 | 0 | 0 | 114.4 | Y66 Q70 G100 I101 F108 R110 L113 | Y66-Y68 PolarHBondContact O-N 2.79Å; Y66-Y68 VanDerWaalsContact O-N 3.11Å; Y68-Q70 PolarHBondContact O-N 3.38Å; Y68-G100 VanDerWaalsContact CE2-O 3.23Å; Y68-G100 WeakPolarHBondContact CE2-O 3.33Å; Y68-G100 WeakPolarHBondContact OH-CA 3.22Å; Y68-G100 PolarHBondContact OH-N 3.37Å; Y68-G100 PolarHBondContact OH-O 3.47Å; Y68-I101 WeakPolarHBondContact CD2-O 3.1Å; Y68-F108 PolarHBondContact OH-O 3.32Å; Y68-R110 HydrophobicContact CE1-CB 4.16Å; Y68-R110 HydrophobicContact CE1-CG 4.07Å; Y68-L113 HydrophobicContact CD1-CD2 4.37Å; Y68-L113 HydrophobicContact CD2-CD2 3.54Å; Y68-L113 HydrophobicContact CE1-CD2 3.95Å; Y68-L113 HydrophobicContact CE2-CD2 2.95Å; Y68-L113 HydrophobicContact CE2-CG 4.3Å; Y68-L113 HydrophobicContact CG-CD2 4.17Å; Y68-L113 WeakPolarHBondContact OH-CD2 3.44Å |
| 69 | K | 44.5 | Very low | 57.6 | Low | 145 Ų | 145 | 97.8 Ų | 97.8 | 63% | 0.63 | 47% | 0.474 | S | S | * | . | trans | -69.9 | 50.8 | 180 | -160.2 | -165 | -164.9 | -134.4 | 0 | 113.7 | Y66 A67 V71 | Y66-K69 WeakPolarHBondContact O-CB 3.24Å; Y66-K69 PolarHBondContact O-N 2.97Å; A67-K69 PolarHBondContact O-N 3.01Å; K69-V71 HydrophobicContact CG-CG2 4.48Å; K69-V71 PolarHBondContact O-N 2.81Å | ||
| 70 | Q | 50.6 | Low | 57 | Low | 118 Ų | 118 | 96.9 Ų | 96.9 | 55% | 0.551 | 47% | 0.473 | S | S | * | . | trans | -92.2 | 91.7 | 158.4 | -68.8 | -158.2 | 40.5 | 0 | 0 | 108.1 | Y68 I72 L99 | Y68-Q70 PolarHBondContact O-N 3.38Å; Q70-I72 PolarHBondContact O-N 2.76Å; Q70-L99 VanDerWaalsContact O-O 3.05Å | ||
| 71 | V | 52 | Low | 56.6 | Low | 78 Ų | 78 | 97.5 Ų | 97.5 | 47% | 0.473 | 48% | 0.481 | S | S | . | . | trans | -71.2 | 88.3 | 167.9 | -170.8 | 0 | 0 | 0 | 0 | 106.4 | K69 | K69-V71 HydrophobicContact CG-CG2 4.48Å; K69-V71 PolarHBondContact O-N 2.81Å | ||
| 72 | I | 60.2 | Low | 56.9 | Low | 9 Ų | 9 | 96 Ų | 96 | 5% | 0.046 | 46% | 0.464 | C | S | . | . | trans | -87.8 | 117.5 | 171.7 | -81.2 | -173.3 | 0 | 0 | 0 | 107.8 | Q70 K76 V77 L80 I101 | Q70-I72 PolarHBondContact O-N 2.76Å; I72-K76 HydrophobicContact CD1-CB 4.4Å; I72-K76 HydrophobicContact CD1-CD 3.74Å; I72-K76 HydrophobicContact CD1-CG 4.44Å; I72-K76 HydrophobicContact CG1-CD 4.05Å; I72-K76 HydrophobicContact CG2-CB 3.44Å; I72-K76 VanDerWaalsContact CG2-CB 3.44Å; I72-V77 HydrophobicContact CG2-CG2 4Å; I72-L80 HydrophobicContact CD1-CD1 3.82Å; I72-I101 HydrophobicContact CD1-CD1 3.64Å; I72-I101 HydrophobicContact CG1-CD1 4.48Å | ||
| 73 | Q | 58.1 | Low | 57.3 | Low | 125 Ų | 125 | 98.7 Ų | 98.7 | 58% | 0.584 | 48% | 0.476 | S | S | * | . | trans | -65.6 | 149.8 | 167.9 | -63.5 | -175 | 55.3 | 0 | 0 | 109.3 | E75 K76 | Q73-E75 PolarHBondContact O-N 3.3Å; Q73-K76 PolarHBondContact O-N 3.15Å | ||
| 74 | K | 56.1 | Low | 58.3 | Low | 64 Ų | 64 | 96.3 Ų | 96.3 | 28% | 0.278 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -47 | -30.7 | -173.4 | -169.7 | 174.6 | -178.9 | 163.3 | 0 | 114.2 | K76 V77 F93 Q95 | K74-K76 VanDerWaalsContact C-N 3.3Å; K74-K76 PolarHBondContact O-N 2.74Å; K74-V77 WeakPolarHBondContact O-CB 3.24Å; K74-V77 PolarHBondContact O-N 3.45Å; K74-V77 VanDerWaalsContact O-N 3.14Å; K74-F93 WeakPolarHBondContact CD-O 3.25Å; K74-F93 WeakPolarHBondContact CE-O 3.43Å; K74-F93 PolarHBondContact NZ-O 3.49Å; K74-Q95 HydrophobicContact CB-CG 4.37Å; K74-Q95 HydrophobicContact CD-CG 4.4Å |
| 75 | E | 58 | Low | 59.6 | Low | 139 Ų | 139 | 93.7 Ų | 93.7 | 65% | 0.65 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -57.6 | -37.9 | 178.6 | -70.1 | 155.4 | 165.5 | 0 | 0 | 113.1 | Q73 E79 | Q73-E75 PolarHBondContact O-N 3.3Å; E75-E79 PolarHBondContact O-N 3.44Å |
| 76 | K | 55.7 | Low | 61 | Low | 103 Ų | 103 | 90 Ų | 90 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -82 | -19 | 178.9 | -137.4 | 178 | 165.2 | -172.9 | 0 | 113.1 | I72 Q73 K74 K78 E79 L80 | I72-K76 HydrophobicContact CD1-CB 4.4Å; I72-K76 HydrophobicContact CD1-CD 3.74Å; I72-K76 HydrophobicContact CD1-CG 4.44Å; I72-K76 HydrophobicContact CG1-CD 4.05Å; I72-K76 HydrophobicContact CG2-CB 3.44Å; I72-K76 VanDerWaalsContact CG2-CB 3.44Å; Q73-K76 PolarHBondContact O-N 3.15Å; K74-K76 VanDerWaalsContact C-N 3.3Å; K74-K76 PolarHBondContact O-N 2.74Å; K76-K78 VanDerWaalsContact C-N 3.32Å; K76-E79 PolarHBondContact O-N 2.71Å; K76-L80 HydrophobicContact CG-CD1 4.24Å; K76-L80 VanDerWaalsContact O-CB 3.24Å; K76-L80 WeakPolarHBondContact O-CB 2.98Å; K76-L80 WeakPolarHBondContact O-CD1 3.37Å; K76-L80 WeakPolarHBondContact O-CG 3.23Å; K76-L80 PolarHBondContact O-N 3.45Å |
| 77 | V | 62.3 | Low | 62.8 | Low | 3 Ų | 3 | 86.3 Ų | 86.3 | 2% | 0.018 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | I72 K74 L80 N81 L82 L99 | I72-V77 HydrophobicContact CG2-CG2 4Å; K74-V77 WeakPolarHBondContact O-CB 3.24Å; K74-V77 PolarHBondContact O-N 3.45Å; K74-V77 VanDerWaalsContact O-N 3.14Å; V77-L80 CarbonylContact O-C 3.53Å; V77-L80 PolarHBondContact O-N 2.78Å; V77-N81 PolarHBondContact O-N 3.18Å; V77-N81 VanDerWaalsContact O-N 3.14Å; V77-L82 HydrophobicContact CG1-CB 3.65Å; V77-L82 PolarHBondContact O-N 3.11Å; V77-L82 VanDerWaalsContact O-N 3.09Å; V77-L99 HydrophobicContact CG2-CD1 3.39Å |
| 78 | K | 58.1 | Low | 64.5 | Low | 154 Ų | 154 | 84.9 Ų | 84.9 | 67% | 0.67 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67.8 | -38.8 | 178.2 | -158.8 | 171.9 | -174.9 | 176.2 | 0 | 111.8 | K76 L80 N81 | K76-K78 VanDerWaalsContact C-N 3.32Å; K78-L80 VanDerWaalsContact C-N 3.34Å; K78-N81 PolarHBondContact O-N 3.48Å |
| 79 | E | 60.2 | Low | 66.2 | Low | 151 Ų | 151 | 85.6 Ų | 85.6 | 71% | 0.706 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.3 | -33.7 | 174.3 | -163.3 | 179.2 | 168.4 | 0 | 0 | 112.4 | E75 K76 | E75-E79 PolarHBondContact O-N 3.44Å; K76-E79 PolarHBondContact O-N 2.71Å |
| 80 | L | 61.8 | Low | 68.3 | Low | 85 Ų | 85 | 85.2 Ų | 85.2 | 45% | 0.445 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 3.7 | 179.5 | -67.1 | 169.7 | 0 | 0 | 0 | 114.3 | I72 K76 V77 K78 L82 I101 | I72-L80 HydrophobicContact CD1-CD1 3.82Å; K76-L80 HydrophobicContact CG-CD1 4.24Å; K76-L80 VanDerWaalsContact O-CB 3.24Å; K76-L80 WeakPolarHBondContact O-CB 2.98Å; K76-L80 WeakPolarHBondContact O-CD1 3.37Å; K76-L80 WeakPolarHBondContact O-CG 3.23Å; K76-L80 PolarHBondContact O-N 3.45Å; V77-L80 CarbonylContact O-C 3.53Å; V77-L80 PolarHBondContact O-N 2.78Å; K78-L80 VanDerWaalsContact C-N 3.34Å; L80-L82 PolarHBondContact O-N 2.78Å; L80-I101 HydrophobicContact CD1-CD1 4.39Å |
| 81 | N | 62.6 | Low | 70 | Confident | 150 Ų | 150 | 85.1 Ų | 85.1 | 80% | 0.802 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 37 | -176.1 | -73.9 | -86.5 | 0 | 0 | 0 | 113.7 | V77 K78 | V77-N81 PolarHBondContact O-N 3.18Å; V77-N81 VanDerWaalsContact O-N 3.14Å; K78-N81 PolarHBondContact O-N 3.48Å |
| 82 | L | 69.7 | Low | 71.5 | Confident | 31 Ų | 31 | 87.6 Ų | 87.6 | 16% | 0.162 | 43% | 0.433 | C | S | . | . | trans | -82.1 | 153.3 | 174.7 | -111.8 | 49.7 | 0 | 0 | 0 | 110.7 | V77 L80 E84 I101 K105 A107 | V77-L82 HydrophobicContact CG1-CB 3.65Å; V77-L82 PolarHBondContact O-N 3.11Å; V77-L82 VanDerWaalsContact O-N 3.09Å; L80-L82 PolarHBondContact O-N 2.78Å; L82-E84 PolarHBondContact O-N 3.43Å; L82-I101 HydrophobicContact CD2-CD1 3.87Å; L82-I101 HydrophobicContact CD2-CG1 4.11Å; L82-K105 WeakPolarHBondContact CD1-O 3.24Å; L82-K105 WeakPolarHBondContact CD2-O 3.38Å; L82-K105 WeakPolarHBondContact CG-O 3.26Å; L82-A107 HydrophobicContact CB-CB 4.48Å; L82-A107 HydrophobicContact CD2-CB 3.27Å; L82-A107 HydrophobicContact CG-CB 4.02Å | ||
| 83 | H | 71.1 | Confident | 72.6 | Confident | 143 Ų | 143 | 87.2 Ų | 87.2 | 66% | 0.662 | 43% | 0.431 | S | S | * | . | trans | -54.9 | 132.1 | 171.3 | -121.4 | 58.1 | 0 | 0 | 0 | 110.3 | I85 F93 | H83-I85 PolarHBondContact O-N 2.81Å; H83-F93 WeakPolarHBondContact O-CE2 3.22Å | ||
| 84 | E | 77.4 | Confident | 73.6 | Confident | 84 Ų | 84 | 87.9 Ų | 87.9 | 39% | 0.393 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -82.5 | 0.2 | -178.7 | -60.7 | -166.3 | 155.7 | 0 | 0 | 113.4 | L82 F93 | L82-E84 PolarHBondContact O-N 3.43Å; E84-F93 VanDerWaalsContact C-CD2 3.46Å; E84-F93 VanDerWaalsContact O-CD2 3.27Å; E84-F93 WeakPolarHBondContact O-CD2 3.42Å; E84-F93 WeakPolarHBondContact O-CG 3.24Å; E84-F93 PolarHBondContact O-N 3.43Å |
| 85 | I | 84 | Confident | 74.4 | Confident | 73 Ų | 73 | 91.7 Ų | 91.7 | 37% | 0.374 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -119.6 | 136.4 | -175.5 | -56.6 | 167 | 0 | 0 | 0 | 109.3 | H83 A87 E92 | H83-I85 PolarHBondContact O-N 2.81Å; I85-A87 PolarHBondContact O-N 3.19Å; I85-E92 HydrophobicContact CG1-CG 4.03Å |
| 86 | C | 86.9 | Confident | 75 | Confident | 0 Ų | 0 | 94.8 Ų | 94.8 | 0% | 0 | 46% | 0.462 | C | S | . | . | trans | -75.5 | 115.3 | 173.4 | -171.8 | 0 | 0 | 0 | 0 | 111 | V88 C89 L90 E91 F93 H109 | C86-V88 PolarHBondContact O-N 2.75Å; C86-C89 VanDerWaalsContact CB-SG 3.57Å; C86-C89 PolarHBondContact O-N 3.42Å; C86-L90 WeakPolarHBondContact O-CA 3.16Å; C86-L90 PolarHBondContact O-N 3.45Å; C86-E91 PolarHBondContact N-O 3.36Å; C86-F93 HydrophobicContact CB-CD1 4.39Å; C86-F93 HydrophobicContact CB-CE1 3.57Å; C86-F93 HydrophobicContact CB-CZ 4.09Å; C86-H109 WeakPolarHBondContact CB-ND1 3.09Å | ||
| 87 | A | 86.6 | Confident | 76.1 | Confident | 43 Ų | 43 | 92.3 Ų | 92.3 | 36% | 0.355 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -5.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I85 F108 L125 | I85-A87 PolarHBondContact O-N 3.19Å; A87-F108 HydrophobicContact CB-CE1 4.04Å; A87-L125 HydrophobicContact CB-CD1 4.42Å; A87-L125 HydrophobicContact CB-CD2 3.82Å; A87-L125 HydrophobicContact CB-CG 4.14Å |
| 88 | V | 86.3 | Confident | 76.9 | Confident | 54 Ų | 54 | 96.1 Ų | 96.1 | 33% | 0.327 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -44.9 | 178.7 | 178 | 0 | 0 | 0 | 0 | 112.2 | C86 F108 C112 P124 | C86-V88 PolarHBondContact O-N 2.75Å; V88-F108 HydrophobicContact CG2-CD1 3.94Å; V88-F108 HydrophobicContact CG2-CE1 4.34Å; V88-C112 HydrophobicContact CB-CB 3.83Å; V88-C112 HydrophobicContact CG1-CB 3.8Å; V88-C112 HydrophobicContact CG2-CB 4.42Å; V88-P124 HydrophobicContact CG2-CB 4.36Å; V88-P124 HydrophobicContact CG2-CG 3.87Å |
| 89 | C | 88.5 | Confident | 78 | Confident | 46 Ų | 46 | 89 Ų | 89 | 31% | 0.311 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -6.3 | 176.9 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | C86 E91 H109 | C86-C89 VanDerWaalsContact CB-SG 3.57Å; C86-C89 PolarHBondContact O-N 3.42Å; C89-E91 HydrophobicContact CB-CG 4.44Å; C89-E91 PolarHBondContact O-N 3.45Å; C89-H109 VanDerWaalsContact SG-CE1 3.59Å; C89-H109 PolarHBondContact SG-ND1 3.27Å |
| 90 | L | 87.4 | Confident | 78.8 | Confident | 137 Ų | 137 | 81.8 Ų | 81.8 | 72% | 0.717 | 41% | 0.407 | S | S | * | . | trans | 60.3 | 20.2 | -177.9 | -51.9 | 175.3 | 0 | 0 | 0 | 114.1 | C86 | C86-L90 WeakPolarHBondContact O-CA 3.16Å; C86-L90 PolarHBondContact O-N 3.45Å | ||
| 91 | E | 86.4 | Confident | 79.6 | Confident | 115 Ų | 115 | 79.6 Ų | 79.6 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 146 | 177 | -63.5 | 177.3 | 171.4 | 0 | 0 | 111.4 | C86 C89 | C86-E91 PolarHBondContact N-O 3.36Å; C89-E91 HydrophobicContact CB-CG 4.44Å; C89-E91 PolarHBondContact O-N 3.45Å |
| 92 | E | 84.6 | Confident | 80.3 | Confident | 130 Ų | 130 | 72.5 Ų | 72.5 | 61% | 0.607 | 36% | 0.357 | S | S | * | . | B | Isolated β-bridge | trans | -67.6 | 143.7 | 172.4 | -72.4 | 174.3 | -138.5 | 0 | 0 | 112.2 | I85 K94 | I85-E92 HydrophobicContact CG1-CG 4.03Å; E92-K94 PolarHBondContact O-N 2.76Å |
| 93 | F | 83 | Confident | 80.5 | Confident | 1 Ų | 1 | 74 Ų | 74 | 0% | 0.004 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 128.2 | 176.6 | -59.7 | -44.4 | 0 | 0 | 0 | 112 | K74 H83 E84 C86 L99 A107 H109 | K74-F93 WeakPolarHBondContact CD-O 3.25Å; K74-F93 WeakPolarHBondContact CE-O 3.43Å; K74-F93 PolarHBondContact NZ-O 3.49Å; H83-F93 WeakPolarHBondContact O-CE2 3.22Å; E84-F93 VanDerWaalsContact C-CD2 3.46Å; E84-F93 VanDerWaalsContact O-CD2 3.27Å; E84-F93 WeakPolarHBondContact O-CD2 3.42Å; E84-F93 WeakPolarHBondContact O-CG 3.24Å; E84-F93 PolarHBondContact O-N 3.43Å; C86-F93 HydrophobicContact CB-CD1 4.39Å; C86-F93 HydrophobicContact CB-CE1 3.57Å; C86-F93 HydrophobicContact CB-CZ 4.09Å; F93-L99 HydrophobicContact CB-CD1 4.26Å; F93-L99 HydrophobicContact CB-CD2 4.12Å; F93-L99 HydrophobicContact CD1-CD1 4.35Å; F93-L99 HydrophobicContact CD1-CD2 3.16Å; F93-L99 HydrophobicContact CD1-CG 4.38Å; F93-L99 HydrophobicContact CD2-CD1 3.93Å; F93-L99 HydrophobicContact CD2-CD2 4.21Å; F93-L99 HydrophobicContact CE1-CD2 3.44Å; F93-L99 VanDerWaalsContact CE1-CD2 3.44Å; F93-L99 HydrophobicContact CE2-CD1 4.32Å; F93-L99 HydrophobicContact CE2-CD2 4.42Å; F93-L99 HydrophobicContact CG-CD1 3.94Å; F93-L99 HydrophobicContact CG-CD2 3.6Å; F93-L99 HydrophobicContact CG-CG 4.43Å; F93-L99 HydrophobicContact CZ-CD2 4.1Å; F93-A107 HydrophobicContact CE2-CB 4.08Å; F93-A107 HydrophobicContact CZ-CB 4.19Å; F93-H109 AromaticContact CD1-CD2 3.68Å; F93-H109 AromaticContact CD1-CE1 3.88Å; F93-H109 AromaticContact CD1-NE2 3.39Å; F93-H109 WeakPolarHBondContact CD1-NE2 3.48Å; F93-H109 AromaticContact CE1-CD2 3.92Å; F93-H109 AromaticContact CE1-NE2 3.93Å |
| 94 | K | 79.2 | Confident | 80.7 | Confident | 140 Ų | 140 | 68.6 Ų | 68.6 | 61% | 0.609 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -94.3 | 156.7 | 173.4 | -55.4 | 172.6 | -178.3 | 169.1 | 0 | 110.5 | E92 K96 D97 | E92-K94 PolarHBondContact O-N 2.76Å; K94-K96 PolarHBondContact O-N 3.26Å; K94-K96 VanDerWaalsContact O-N 3.07Å; K94-D97 WeakPolarHBondContact CA-OD2 3.39Å; K94-D97 WeakPolarHBondContact CB-OD2 3.43Å; K94-D97 WeakPolarHBondContact CG-OD2 3.39Å; K94-D97 PolarHBondContact N-OD2 3.46Å; K94-D97 WeakPolarHBondContact O-CB 3.23Å; K94-D97 PolarHBondContact O-N 3.25Å |
| 95 | Q | 71.9 | Confident | 80.7 | Confident | 144 Ų | 144 | 72.3 Ų | 72.3 | 67% | 0.673 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27 | -178.4 | -85.7 | 175.6 | -20.9 | 0 | 0 | 114.3 | K74 | K74-Q95 HydrophobicContact CB-CG 4.37Å; K74-Q95 HydrophobicContact CD-CG 4.4Å |
| 96 | K | 72 | Confident | 80.6 | Confident | 204 Ų | 204 | 71.8 Ų | 71.8 | 89% | 0.887 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 3.8 | -179.6 | -66.3 | -174.9 | 179.6 | -176.6 | 0 | 113.7 | K94 | K94-K96 PolarHBondContact O-N 3.26Å; K94-K96 VanDerWaalsContact O-N 3.07Å |
| 97 | D | 77.3 | Confident | 80.4 | Confident | 50 Ų | 50 | 72.1 Ų | 72.1 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | trans | -80.1 | 132.9 | -177.5 | -70.1 | -28.8 | 0 | 0 | 0 | 111.1 | K94 L99 H109 | K94-D97 WeakPolarHBondContact CA-OD2 3.39Å; K94-D97 WeakPolarHBondContact CB-OD2 3.43Å; K94-D97 WeakPolarHBondContact CG-OD2 3.39Å; K94-D97 PolarHBondContact N-OD2 3.46Å; K94-D97 WeakPolarHBondContact O-CB 3.23Å; K94-D97 PolarHBondContact O-N 3.25Å; D97-L99 HydrophobicContact CB-CD2 4.3Å; D97-L99 PolarHBondContact O-N 3.07Å; D97-L99 VanDerWaalsContact O-N 3.09Å; D97-H109 IonicContact OD2-NE2 3.42Å; D97-H109 PolarHBondContact OD2-NE2 2.82Å | ||
| 98 | E | 80.1 | Confident | 80.4 | Confident | 83 Ų | 83 | 70 Ų | 70 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | trans | -71.6 | 104.9 | 168.8 | -61.8 | -174.2 | 120.7 | 0 | 0 | 107.8 | R110 | E98-R110 HydrophobicContact CB-CB 3.82Å; E98-R110 WeakPolarHBondContact O-CB 3.25Å; E98-R110 PolarHBondContact O-N 2.79Å; E98-R110 IonicContact OE1-NH1 3.77Å; E98-R110 IonicContact OE2-CZ 3.95Å; E98-R110 IonicContact OE2-NH1 2.97Å; E98-R110 PolarHBondContact OE2-NH1 3.08Å | ||
| 99 | L | 80.4 | Confident | 80.5 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 161.5 | 168.1 | -53.1 | -174.6 | 0 | 0 | 0 | 109.2 | Q70 V77 F93 D97 F108 | Q70-L99 VanDerWaalsContact O-O 3.05Å; V77-L99 HydrophobicContact CG2-CD1 3.39Å; F93-L99 HydrophobicContact CB-CD1 4.26Å; F93-L99 HydrophobicContact CB-CD2 4.12Å; F93-L99 HydrophobicContact CD1-CD1 4.35Å; F93-L99 HydrophobicContact CD1-CD2 3.16Å; F93-L99 HydrophobicContact CD1-CG 4.38Å; F93-L99 HydrophobicContact CD2-CD1 3.93Å; F93-L99 HydrophobicContact CD2-CD2 4.21Å; F93-L99 HydrophobicContact CE1-CD2 3.44Å; F93-L99 VanDerWaalsContact CE1-CD2 3.44Å; F93-L99 HydrophobicContact CE2-CD1 4.32Å; F93-L99 HydrophobicContact CE2-CD2 4.42Å; F93-L99 HydrophobicContact CG-CD1 3.94Å; F93-L99 HydrophobicContact CG-CD2 3.6Å; F93-L99 HydrophobicContact CG-CG 4.43Å; F93-L99 HydrophobicContact CZ-CD2 4.1Å; D97-L99 HydrophobicContact CB-CD2 4.3Å; D97-L99 PolarHBondContact O-N 3.07Å; D97-L99 VanDerWaalsContact O-N 3.09Å; L99-F108 WeakPolarHBondContact CA-O 3.37Å |
| 100 | G | 78.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 168.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y68 F108 | Y68-G100 VanDerWaalsContact CE2-O 3.23Å; Y68-G100 WeakPolarHBondContact CE2-O 3.33Å; Y68-G100 WeakPolarHBondContact OH-CA 3.22Å; Y68-G100 PolarHBondContact OH-N 3.37Å; Y68-G100 PolarHBondContact OH-O 3.47Å; G100-F108 PolarHBondContact N-O 3.23Å; G100-F108 PolarHBondContact O-N 2.83Å |
| 101 | I | 77.5 | Confident | 80 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 20% | 0.2 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123.8 | -164.5 | -59.4 | -179.2 | 0 | 0 | 0 | 108.6 | Y68 I72 L80 L82 H106 A107 | Y68-I101 WeakPolarHBondContact CD2-O 3.1Å; I72-I101 HydrophobicContact CD1-CD1 3.64Å; I72-I101 HydrophobicContact CG1-CD1 4.48Å; L80-I101 HydrophobicContact CD1-CD1 4.39Å; L82-I101 HydrophobicContact CD2-CD1 3.87Å; L82-I101 HydrophobicContact CD2-CG1 4.11Å; I101-H106 CarbonylContact C-O 3.53Å; I101-H106 WeakPolarHBondContact CA-O 3.22Å; I101-A107 HydrophobicContact CG1-CB 4.25Å |
| 102 | C | 77.1 | Confident | 80 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | trans | -63.9 | 153.3 | 168 | -68.6 | 0 | 0 | 0 | 0 | 109.5 | C104 K105 H106 | C102-C104 WeakPolarHBondContact CB-SG 3.3Å; C102-C104 PolarHBondContact O-N 3.21Å; C102-K105 WeakPolarHBondContact O-CA 3.36Å; C102-K105 PolarHBondContact O-N 2.86Å; C102-H106 PolarHBondContact N-O 2.9Å | ||
| 103 | P | 73.8 | Confident | 79.9 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 41% | 0.409 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -17.2 | 178.5 | 26.2 | -35.7 | 0 | 0 | 0 | 113.7 | K105 V130 L133 | P103-K105 PolarHBondContact O-N 3.48Å; P103-V130 HydrophobicContact CG-CG1 4.36Å; P103-V130 WeakPolarHBondContact CG-O 3.43Å; P103-L133 HydrophobicContact CB-CB 3.56Å; P103-L133 HydrophobicContact CB-CD1 4.28Å; P103-L133 HydrophobicContact CG-CB 3.53Å; P103-L133 HydrophobicContact CG-CD1 3.86Å; P103-L133 HydrophobicContact CG-CG 4.34Å |
| 104 | C | 76.3 | Confident | 79.8 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 11.2 | 167.6 | 60.2 | 0 | 0 | 0 | 0 | 114.3 | C102 H106 L133 | C102-C104 WeakPolarHBondContact CB-SG 3.3Å; C102-C104 PolarHBondContact O-N 3.21Å; C104-H106 VanDerWaalsContact C-N 3.3Å; C104-H106 PolarHBondContact O-N 3.46Å; C104-H106 PolarHBondContact SG-ND1 3.45Å; C104-L133 HydrophobicContact CB-CD1 3.81Å |
| 105 | K | 76.4 | Confident | 80.1 | Confident | 161 Ų | 161 | 61.9 Ų | 61.9 | 70% | 0.7 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 68.5 | 10.7 | -179.4 | -53.1 | -179.4 | -179.1 | -179 | 0 | 116.2 | L82 C102 P103 | L82-K105 WeakPolarHBondContact CD1-O 3.24Å; L82-K105 WeakPolarHBondContact CD2-O 3.38Å; L82-K105 WeakPolarHBondContact CG-O 3.26Å; C102-K105 WeakPolarHBondContact O-CA 3.36Å; C102-K105 PolarHBondContact O-N 2.86Å; P103-K105 PolarHBondContact O-N 3.48Å |
| 106 | H | 83.1 | Confident | 80.8 | Confident | 62 Ų | 62 | 59 Ų | 59 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | trans | -83.4 | 133.8 | 174.2 | -69 | 110.6 | 0 | 0 | 0 | 112.4 | I101 C102 C104 F108 L125 | I101-H106 CarbonylContact C-O 3.53Å; I101-H106 WeakPolarHBondContact CA-O 3.22Å; C102-H106 PolarHBondContact N-O 2.9Å; C104-H106 VanDerWaalsContact C-N 3.3Å; C104-H106 PolarHBondContact O-N 3.46Å; C104-H106 PolarHBondContact SG-ND1 3.45Å; H106-F108 HydrophobicContact CB-CE2 3.59Å; H106-F108 HydrophobicContact CB-CZ 3.9Å; H106-L125 HydrophobicContact CB-CD1 3.93Å; H106-L125 WeakPolarHBondContact CD2-CD1 3.33Å | ||
| 107 | A | 82.9 | Confident | 81.2 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 143.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L82 F93 I101 | L82-A107 HydrophobicContact CB-CB 4.48Å; L82-A107 HydrophobicContact CD2-CB 3.27Å; L82-A107 HydrophobicContact CG-CB 4.02Å; F93-A107 HydrophobicContact CE2-CB 4.08Å; F93-A107 HydrophobicContact CZ-CB 4.19Å; I101-A107 HydrophobicContact CG1-CB 4.25Å |
| 108 | F | 86 | Confident | 81.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 161.3 | 173.8 | -55.1 | -84.8 | 0 | 0 | 0 | 109.4 | Y68 A87 V88 L99 G100 H106 R110 L113 P124 L125 | Y68-F108 PolarHBondContact OH-O 3.32Å; A87-F108 HydrophobicContact CB-CE1 4.04Å; V88-F108 HydrophobicContact CG2-CD1 3.94Å; V88-F108 HydrophobicContact CG2-CE1 4.34Å; L99-F108 WeakPolarHBondContact CA-O 3.37Å; G100-F108 PolarHBondContact N-O 3.23Å; G100-F108 PolarHBondContact O-N 2.83Å; H106-F108 HydrophobicContact CB-CE2 3.59Å; H106-F108 HydrophobicContact CB-CZ 3.9Å; F108-R110 PolarHBondContact O-N 2.84Å; F108-L113 HydrophobicContact CB-CB 4.09Å; F108-L113 HydrophobicContact CD2-CD1 3.86Å; F108-L113 HydrophobicContact CE2-CD1 4.38Å; F108-L113 HydrophobicContact CG-CD1 4.31Å; F108-P124 HydrophobicContact CD1-CG 4.43Å; F108-P124 HydrophobicContact CE1-CB 4.06Å; F108-P124 HydrophobicContact CE1-CG 3.83Å; F108-P124 HydrophobicContact CE2-CG 4.44Å; F108-P124 HydrophobicContact CZ-CB 4.15Å; F108-P124 HydrophobicContact CZ-CG 3.83Å; F108-L125 HydrophobicContact CE1-CD1 3.93Å; F108-L125 HydrophobicContact CE1-CG 4.1Å; F108-L125 HydrophobicContact CZ-CB 4.38Å; F108-L125 HydrophobicContact CZ-CD1 3.64Å; F108-L125 HydrophobicContact CZ-CG 3.85Å |
| 109 | H | 87.2 | Confident | 81.5 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 7% | 0.069 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 135.9 | 165.1 | -67.3 | 125.9 | 0 | 0 | 0 | 109.5 | C86 C89 F93 D97 K111 C112 L113 | C86-H109 WeakPolarHBondContact CB-ND1 3.09Å; C89-H109 VanDerWaalsContact SG-CE1 3.59Å; C89-H109 PolarHBondContact SG-ND1 3.27Å; F93-H109 AromaticContact CD1-CD2 3.68Å; F93-H109 AromaticContact CD1-CE1 3.88Å; F93-H109 AromaticContact CD1-NE2 3.39Å; F93-H109 WeakPolarHBondContact CD1-NE2 3.48Å; F93-H109 AromaticContact CE1-CD2 3.92Å; F93-H109 AromaticContact CE1-NE2 3.93Å; D97-H109 IonicContact OD2-NE2 3.42Å; D97-H109 PolarHBondContact OD2-NE2 2.82Å; H109-K111 PolarHBondContact O-N 3.4Å; H109-C112 HydrophobicContact CB-CB 3.91Å; H109-C112 WeakPolarHBondContact O-CB 3.43Å; H109-C112 PolarHBondContact O-N 3.31Å; H109-L113 PolarHBondContact O-N 2.99Å |
| 110 | R | 82.3 | Confident | 81.5 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 19% | 0.185 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -52.9 | -44.7 | 179 | 173.1 | 168.2 | 179.4 | -95.6 | -9.8 | 111.9 | Y66 Y68 E98 F108 L113 I114 | Y66-R110 PolarHBondContact OH-NH2 3.12Å; Y68-R110 HydrophobicContact CE1-CB 4.16Å; Y68-R110 HydrophobicContact CE1-CG 4.07Å; E98-R110 HydrophobicContact CB-CB 3.82Å; E98-R110 WeakPolarHBondContact O-CB 3.25Å; E98-R110 PolarHBondContact O-N 2.79Å; E98-R110 IonicContact OE1-NH1 3.77Å; E98-R110 IonicContact OE2-CZ 3.95Å; E98-R110 IonicContact OE2-NH1 2.97Å; E98-R110 PolarHBondContact OE2-NH1 3.08Å; F108-R110 PolarHBondContact O-N 2.84Å; R110-L113 PolarHBondContact O-N 2.77Å; R110-I114 HydrophobicContact CG-CD1 3.71Å; R110-I114 WeakPolarHBondContact O-CB 3.33Å; R110-I114 WeakPolarHBondContact O-CD1 3.47Å; R110-I114 WeakPolarHBondContact O-CG1 3.36Å; R110-I114 PolarHBondContact O-N 3.47Å |
| 111 | K | 83.7 | Confident | 81.7 | Confident | 154 Ų | 154 | 70.2 Ų | 70.2 | 67% | 0.67 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 177.6 | -65.3 | 179.7 | -177.3 | 173.6 | 0 | 111.9 | H109 K115 | H109-K111 PolarHBondContact O-N 3.4Å; K111-K115 WeakPolarHBondContact O-CG 3.19Å; K111-K115 PolarHBondContact O-N 3.38Å |
| 112 | C | 86.4 | Confident | 82 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 16% | 0.155 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.5 | -42.6 | 180 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | V88 H109 W116 | V88-C112 HydrophobicContact CB-CB 3.83Å; V88-C112 HydrophobicContact CG1-CB 3.8Å; V88-C112 HydrophobicContact CG2-CB 4.42Å; H109-C112 HydrophobicContact CB-CB 3.91Å; H109-C112 WeakPolarHBondContact O-CB 3.43Å; H109-C112 PolarHBondContact O-N 3.31Å; C112-W116 WeakPolarHBondContact O-CB 3.29Å; C112-W116 PolarHBondContact O-N 3.35Å |
| 113 | L | 83.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67 | -44.4 | 178.8 | -171.2 | 68.2 | 0 | 0 | 0 | 111.8 | Y68 F108 H109 R110 K115 W116 L117 | Y68-L113 HydrophobicContact CD1-CD2 4.37Å; Y68-L113 HydrophobicContact CD2-CD2 3.54Å; Y68-L113 HydrophobicContact CE1-CD2 3.95Å; Y68-L113 HydrophobicContact CE2-CD2 2.95Å; Y68-L113 HydrophobicContact CE2-CG 4.3Å; Y68-L113 HydrophobicContact CG-CD2 4.17Å; Y68-L113 WeakPolarHBondContact OH-CD2 3.44Å; F108-L113 HydrophobicContact CB-CB 4.09Å; F108-L113 HydrophobicContact CD2-CD1 3.86Å; F108-L113 HydrophobicContact CE2-CD1 4.38Å; F108-L113 HydrophobicContact CG-CD1 4.31Å; H109-L113 PolarHBondContact O-N 2.99Å; R110-L113 PolarHBondContact O-N 2.77Å; L113-K115 PolarHBondContact O-N 2.94Å; L113-W116 PolarHBondContact O-N 2.88Å; L113-W116 VanDerWaalsContact O-N 3.16Å; L113-L117 HydrophobicContact CD1-CD1 4.24Å; L113-L117 HydrophobicContact CD1-CD2 4.48Å; L113-L117 HydrophobicContact CD1-CG 4.12Å; L113-L117 HydrophobicContact CD2-CD1 4.02Å; L113-L117 HydrophobicContact CG-CD1 3.75Å; L113-L117 HydrophobicContact CG-CG 4.03Å; L113-L117 WeakPolarHBondContact O-CB 3.31Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.28Å; L113-L117 PolarHBondContact O-N 2.86Å |
| 114 | I | 81.3 | Confident | 82.9 | Confident | 62 Ų | 62 | 68.6 Ų | 68.6 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.1 | -49.7 | 179 | -69.2 | 166.2 | 0 | 0 | 0 | 110.2 | R110 W116 L117 E118 | R110-I114 HydrophobicContact CG-CD1 3.71Å; R110-I114 WeakPolarHBondContact O-CB 3.33Å; R110-I114 WeakPolarHBondContact O-CD1 3.47Å; R110-I114 WeakPolarHBondContact O-CG1 3.36Å; R110-I114 PolarHBondContact O-N 3.47Å; I114-W116 VanDerWaalsContact C-N 3.28Å; I114-W116 PolarHBondContact O-N 2.79Å; I114-L117 PolarHBondContact O-N 3.34Å; I114-E118 WeakPolarHBondContact O-CG 3.2Å; I114-E118 PolarHBondContact O-N 2.91Å |
| 115 | K | 84.9 | Confident | 83.3 | Confident | 147 Ų | 147 | 71.2 Ų | 71.2 | 64% | 0.639 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.8 | -38.3 | 176.8 | -74.3 | -178.7 | 178.3 | -174.2 | 0 | 112.8 | K111 L113 | K111-K115 WeakPolarHBondContact O-CG 3.19Å; K111-K115 PolarHBondContact O-N 3.38Å; L113-K115 PolarHBondContact O-N 2.94Å |
| 116 | W | 86.5 | Confident | 83.6 | Confident | 84 Ų | 84 | 65.8 Ų | 65.8 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.7 | -46 | 176.4 | -177.9 | -92.6 | 0 | 0 | 0 | 112 | C112 L113 I114 E118 V119 R120 V122 P124 | C112-W116 WeakPolarHBondContact O-CB 3.29Å; C112-W116 PolarHBondContact O-N 3.35Å; L113-W116 PolarHBondContact O-N 2.88Å; L113-W116 VanDerWaalsContact O-N 3.16Å; I114-W116 VanDerWaalsContact C-N 3.28Å; I114-W116 PolarHBondContact O-N 2.79Å; W116-E118 PolarHBondContact O-N 2.89Å; W116-V119 PolarHBondContact O-N 3.23Å; W116-R120 PolarHBondContact O-N 2.92Å; W116-V122 VanDerWaalsContact CD1-O 3.29Å; W116-V122 PolarHBondContact NE1-O 2.87Å; W116-P124 HydrophobicContact CD2-CG 3.96Å; W116-P124 HydrophobicContact CG-CG 3.93Å; W116-P124 HydrophobicContact CZ2-CB 4.25Å; W116-P124 HydrophobicContact CZ2-CG 4.41Å |
| 117 | L | 80.4 | Confident | 83.7 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.5 | -21 | -178.2 | -66.3 | 178 | 0 | 0 | 0 | 113.8 | L113 I114 V119 R120 V130 | L113-L117 HydrophobicContact CD1-CD1 4.24Å; L113-L117 HydrophobicContact CD1-CD2 4.48Å; L113-L117 HydrophobicContact CD1-CG 4.12Å; L113-L117 HydrophobicContact CD2-CD1 4.02Å; L113-L117 HydrophobicContact CG-CD1 3.75Å; L113-L117 HydrophobicContact CG-CG 4.03Å; L113-L117 WeakPolarHBondContact O-CB 3.31Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.28Å; L113-L117 PolarHBondContact O-N 2.86Å; I114-L117 PolarHBondContact O-N 3.34Å; L117-V119 VanDerWaalsContact C-N 3.26Å; L117-R120 WeakPolarHBondContact CA-O 3.24Å; L117-V130 HydrophobicContact CD1-CG1 4.44Å; L117-V130 HydrophobicContact CD2-CB 4.21Å; L117-V130 HydrophobicContact CD2-CG2 3.79Å |
| 118 | E | 80.4 | Confident | 83.5 | Confident | 150 Ų | 150 | 72 Ų | 72 | 70% | 0.701 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.9 | -33.8 | 169 | -76.1 | 171.1 | -172.9 | 0 | 0 | 111.9 | I114 W116 | I114-E118 WeakPolarHBondContact O-CG 3.2Å; I114-E118 PolarHBondContact O-N 2.91Å; W116-E118 PolarHBondContact O-N 2.89Å |
| 119 | V | 83.1 | Confident | 83.1 | Confident | 122 Ų | 122 | 73.7 Ų | 73.7 | 74% | 0.739 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -94.2 | -48.6 | -179.7 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | W116 L117 | W116-V119 PolarHBondContact O-N 3.23Å; L117-V119 VanDerWaalsContact C-N 3.26Å |
| 120 | R | 81.4 | Confident | 82.3 | Confident | 160 Ų | 160 | 74.3 Ų | 74.3 | 60% | 0.604 | 36% | 0.362 | S | S | * | . | trans | -137 | 120.7 | -177.9 | -60.7 | -169.4 | 175.8 | -178.4 | -0.6 | 110.7 | W116 L117 V122 | W116-R120 PolarHBondContact O-N 2.92Å; L117-R120 WeakPolarHBondContact CA-O 3.24Å; R120-V122 HydrophobicContact CB-CG2 4.02Å; R120-V122 PolarHBondContact O-N 2.76Å | ||
| 121 | K | 81.8 | Confident | 81.5 | Confident | 123 Ų | 123 | 76 Ų | 76 | 54% | 0.535 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -77.3 | 36.9 | 179.4 | -58.7 | -165.7 | -178.8 | -176.4 | 0 | 114.3 | V130 L131 | K121-V130 PolarHBondContact O-N 2.89Å; K121-L131 HydrophobicContact CD-CD1 3.75Å |
| 122 | V | 84.2 | Confident | 80.2 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -125.9 | 152.9 | -177.7 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | W116 R120 M128 | W116-V122 VanDerWaalsContact CD1-O 3.29Å; W116-V122 PolarHBondContact NE1-O 2.87Å; R120-V122 HydrophobicContact CB-CG2 4.02Å; R120-V122 PolarHBondContact O-N 2.76Å; V122-M128 CarbonylContact C-O 3.52Å; V122-M128 WeakPolarHBondContact CA-O 3.26Å |
| 123 | C | 84.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | trans | -66.1 | 130.9 | 174.1 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | L125 C126 N127 M128 | C123-L125 PolarHBondContact O-N 3.02Å; C123-L125 PolarHBondContact SG-N 3.27Å; C123-C126 WeakPolarHBondContact CB-SG 3.44Å; C123-N127 VanDerWaalsContact O-CA 3.23Å; C123-N127 WeakPolarHBondContact O-CA 3.27Å; C123-N127 PolarHBondContact O-N 2.84Å; C123-M128 PolarHBondContact N-O 2.97Å | ||
| 124 | P | 85.2 | Confident | 77.1 | Confident | 31 Ų | 31 | 78 Ų | 78 | 20% | 0.201 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -25.9 | 176.2 | -20.7 | 27.6 | 0 | 0 | 0 | 115.1 | V88 F108 W116 | V88-P124 HydrophobicContact CG2-CB 4.36Å; V88-P124 HydrophobicContact CG2-CG 3.87Å; F108-P124 HydrophobicContact CD1-CG 4.43Å; F108-P124 HydrophobicContact CE1-CB 4.06Å; F108-P124 HydrophobicContact CE1-CG 3.83Å; F108-P124 HydrophobicContact CE2-CG 4.44Å; F108-P124 HydrophobicContact CZ-CB 4.15Å; F108-P124 HydrophobicContact CZ-CG 3.83Å; W116-P124 HydrophobicContact CD2-CG 3.96Å; W116-P124 HydrophobicContact CG-CG 3.93Å; W116-P124 HydrophobicContact CZ2-CB 4.25Å; W116-P124 HydrophobicContact CZ2-CG 4.41Å |
| 125 | L | 84.1 | Confident | 75.5 | Confident | 85 Ų | 85 | 82.6 Ų | 82.6 | 45% | 0.445 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -36.8 | -175 | -75.6 | 168.5 | 0 | 0 | 0 | 113.3 | A87 H106 F108 C123 | A87-L125 HydrophobicContact CB-CD1 4.42Å; A87-L125 HydrophobicContact CB-CD2 3.82Å; A87-L125 HydrophobicContact CB-CG 4.14Å; H106-L125 HydrophobicContact CB-CD1 3.93Å; H106-L125 WeakPolarHBondContact CD2-CD1 3.33Å; F108-L125 HydrophobicContact CE1-CD1 3.93Å; F108-L125 HydrophobicContact CE1-CG 4.1Å; F108-L125 HydrophobicContact CZ-CB 4.38Å; F108-L125 HydrophobicContact CZ-CD1 3.64Å; F108-L125 HydrophobicContact CZ-CG 3.85Å; C123-L125 PolarHBondContact O-N 3.02Å; C123-L125 PolarHBondContact SG-N 3.27Å |
| 126 | C | 83.6 | Confident | 73.7 | Confident | 48 Ų | 48 | 80.4 Ų | 80.4 | 32% | 0.324 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 2.1 | -174 | 63.7 | 0 | 0 | 0 | 0 | 114.4 | C123 M128 | C123-C126 WeakPolarHBondContact CB-SG 3.44Å; C126-M128 HydrophobicContact CB-CG 4.37Å; C126-M128 PolarHBondContact O-N 3.31Å |
| 127 | N | 83.7 | Confident | 71.8 | Confident | 115 Ų | 115 | 81.1 Ų | 81.1 | 62% | 0.615 | 43% | 0.434 | S | S | * | . | trans | 54.2 | 11.5 | -176.8 | -69 | -15.4 | 0 | 0 | 0 | 115.6 | C123 | C123-N127 VanDerWaalsContact O-CA 3.23Å; C123-N127 WeakPolarHBondContact O-CA 3.27Å; C123-N127 PolarHBondContact O-N 2.84Å | ||
| 128 | M | 78.9 | Confident | 69.9 | Low | 83 Ų | 83 | 83.3 Ų | 83.3 | 41% | 0.409 | 46% | 0.462 | S | S | . | . | trans | -73.7 | 138.1 | 177.9 | -70.1 | -63.6 | -71.1 | 0 | 0 | 111 | V122 C123 C126 V130 L133 | V122-M128 CarbonylContact C-O 3.52Å; V122-M128 WeakPolarHBondContact CA-O 3.26Å; C123-M128 PolarHBondContact N-O 2.97Å; C126-M128 HydrophobicContact CB-CG 4.37Å; C126-M128 PolarHBondContact O-N 3.31Å; M128-V130 PolarHBondContact O-N 3.46Å; M128-L133 HydrophobicContact CB-CD1 4.08Å; M128-L133 HydrophobicContact CE-CD2 4.44Å | ||
| 129 | P | 77.1 | Confident | 67.6 | Low | 37 Ų | 37 | 81.3 Ų | 81.3 | 24% | 0.24 | 46% | 0.461 | C | S | . | . | B | Isolated β-bridge | trans | -64 | 124.7 | 178 | 23.9 | -31.6 | 0 | 0 | 0 | 110.8 | L131 Q132 | P129-L131 PolarHBondContact O-N 2.83Å; P129-Q132 HydrophobicContact CB-CB 4.07Å; P129-Q132 HydrophobicContact CG-CB 3.67Å; P129-Q132 HydrophobicContact CG-CG 4.41Å; P129-Q132 PolarHBondContact O-N 2.93Å |
| 130 | V | 71.4 | Confident | 65.9 | Low | 27 Ų | 27 | 83.4 Ų | 83.4 | 16% | 0.164 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -26 | -176.1 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | P103 L117 K121 M128 | P103-V130 HydrophobicContact CG-CG1 4.36Å; P103-V130 WeakPolarHBondContact CG-O 3.43Å; L117-V130 HydrophobicContact CD1-CG1 4.44Å; L117-V130 HydrophobicContact CD2-CB 4.21Å; L117-V130 HydrophobicContact CD2-CG2 3.79Å; K121-V130 PolarHBondContact O-N 2.89Å; M128-V130 PolarHBondContact O-N 3.46Å |
| 131 | L | 66.3 | Low | 63.6 | Low | 86 Ų | 86 | 84.6 Ų | 84.6 | 45% | 0.45 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -30 | 179.4 | -64.7 | 175.6 | 0 | 0 | 0 | 113.7 | K121 P129 | K121-L131 HydrophobicContact CD-CD1 3.75Å; P129-L131 PolarHBondContact O-N 2.83Å |
| 132 | Q | 54.5 | Low | 61.4 | Low | 109 Ų | 109 | 83.8 Ų | 83.8 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -23.1 | -170 | -122.7 | 160.2 | -38.9 | 0 | 0 | 112.8 | P129 Q135 | P129-Q132 HydrophobicContact CB-CB 4.07Å; P129-Q132 HydrophobicContact CG-CB 3.67Å; P129-Q132 HydrophobicContact CG-CG 4.41Å; P129-Q132 PolarHBondContact O-N 2.93Å; Q132-Q135 PolarHBondContact O-N 3.44Å |
| 133 | L | 54.5 | Low | 59.1 | Low | 33 Ų | 33 | 88 Ų | 88 | 17% | 0.173 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -18.8 | -179.3 | -69.9 | 161.4 | 0 | 0 | 0 | 113.4 | P103 C104 M128 Q135 Q136 | P103-L133 HydrophobicContact CB-CB 3.56Å; P103-L133 HydrophobicContact CB-CD1 4.28Å; P103-L133 HydrophobicContact CG-CB 3.53Å; P103-L133 HydrophobicContact CG-CD1 3.86Å; P103-L133 HydrophobicContact CG-CG 4.34Å; C104-L133 HydrophobicContact CB-CD1 3.81Å; M128-L133 HydrophobicContact CB-CD1 4.08Å; M128-L133 HydrophobicContact CE-CD2 4.44Å; L133-Q135 PolarHBondContact O-N 2.96Å; L133-Q136 PolarHBondContact O-N 3.27Å |
| 134 | A | 51.6 | Low | 56.6 | Low | 78 Ų | 78 | 95.7 Ų | 95.7 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -22.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 135 | Q | 46.8 | Very low | 54.2 | Low | 157 Ų | 157 | 98.9 Ų | 98.9 | 73% | 0.734 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -17.2 | 177.2 | -64 | 175.4 | -39.6 | 0 | 0 | 112.8 | Q132 L133 | Q132-Q135 PolarHBondContact O-N 3.44Å; L133-Q135 PolarHBondContact O-N 2.96Å |
| 136 | Q | 47.9 | Very low | 51.8 | Low | 101 Ų | 101 | 101.1 Ų | 101.1 | 47% | 0.472 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -96 | -1.4 | -175.1 | -67.5 | 179.9 | -1 | 0 | 0 | 114 | L133 G138 T139 | L133-Q136 PolarHBondContact O-N 3.27Å; Q136-G138 PolarHBondContact O-N 3.26Å; Q136-G138 VanDerWaalsContact O-N 3.07Å; Q136-T139 PolarHBondContact O-N 3.03Å |
| 137 | A | 46.4 | Very low | 49.5 | Very low | 99 Ų | 99 | 106.7 Ų | 106.7 | 82% | 0.818 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -66.7 | -2.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 138 | G | 40.3 | Very low | 47.3 | Very low | 68 Ų | 68 | 109.2 Ų | 109.2 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -108.4 | 3.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q136 | Q136-G138 PolarHBondContact O-N 3.26Å; Q136-G138 VanDerWaalsContact O-N 3.07Å |
| 139 | T | 33.1 | Very low | 45.4 | Very low | 108 Ų | 108 | 111.5 Ų | 111.5 | 66% | 0.663 | 64% | 0.642 | S | S | * | * | trans | -142.8 | 100.3 | 177.2 | 9.6 | 0 | 0 | 0 | 0 | 109.9 | Q136 E141 | Q136-T139 PolarHBondContact O-N 3.03Å; T139-E141 PolarHBondContact O-N 2.74Å | ||
| 140 | I | 46.7 | Very low | 43.5 | Very low | 166 Ų | 166 | 117.4 Ų | 117.4 | 85% | 0.851 | 67% | 0.671 | S | S | * | * | trans | -61.7 | 116.1 | 167 | -61.7 | 155.2 | 0 | 0 | 0 | 107.2 | ||||
| 141 | E | 32.5 | Very low | 41.8 | Very low | 184 Ų | 184 | 121.7 Ų | 121.7 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | trans | -154.6 | 133.1 | 138.7 | -75.5 | -144.1 | 114.8 | 0 | 0 | 110.1 | T139 | T139-E141 PolarHBondContact O-N 2.74Š| ||
| 142 | P | 35.6 | Very low | 40.5 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 158 | -176.2 | 29.2 | -34.7 | 0 | 0 | 0 | 113.8 | L144 | P142-L144 PolarHBondContact O-N 3.48Š|
| 143 | P | 36.9 | Very low | 40.2 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 126.5 | -175.5 | -5.7 | 22.2 | 0 | 0 | 0 | 111.1 | ||
| 144 | L | 31.6 | Very low | 39.9 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 143.7 | 166.5 | -67.8 | 177.6 | 0 | 0 | 0 | 110.4 | P142 | P142-L144 PolarHBondContact O-N 3.48Š|
| 145 | P | 33.8 | Very low | 39.5 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 63% | 0.63 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72 | 144.1 | -172.4 | -11.2 | 27.8 | 0 | 0 | 0 | 112.2 | Q147 | P145-Q147 PolarHBondContact O-N 3.03Å; P145-Q147 PolarHBondContact O-OE1 3.43Å |
| 146 | V | 35.2 | Very low | 39.7 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -71.1 | 107.7 | 167.4 | 174.8 | 0 | 0 | 0 | 0 | 108.7 | Q148 | V146-Q148 HydrophobicContact CG1-CG 4.49Å; V146-Q148 PolarHBondContact O-N 2.87Å | ||
| 147 | Q | 34.9 | Very low | 39.6 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 82% | 0.815 | S | S | * | * | trans | -81.1 | 109.3 | 161.1 | -90 | 93.3 | -1 | 0 | 0 | 109.8 | P145 | P145-Q147 PolarHBondContact O-N 3.03Å; P145-Q147 PolarHBondContact O-OE1 3.43Å | ||
| 148 | Q | 37.7 | Very low | 39.2 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 134.1 | 155.3 | -69 | 172.3 | -29.2 | 0 | 0 | 108.4 | V146 L150 | V146-Q148 HydrophobicContact CG1-CG 4.49Å; V146-Q148 PolarHBondContact O-N 2.87Å; Q148-L150 PolarHBondContact O-N 2.98Å |
| 149 | P | 37.9 | Very low | 39.2 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71 | 117.5 | 165.8 | -15.2 | 30 | 0 | 0 | 0 | 109.7 | ||
| 150 | L | 37.4 | Very low | 39.5 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 151.9 | 166 | -89.6 | 149.7 | 0 | 0 | 0 | 110.2 | Q148 G152 | Q148-L150 PolarHBondContact O-N 2.98Å; L150-G152 PolarHBondContact O-N 2.88Å |
| 151 | P | 37 | Very low | 39.1 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 120.5 | -169.5 | 30.5 | -32.2 | 0 | 0 | 0 | 110.7 | A153 | P151-A153 PolarHBondContact O-N 3.27Å; P151-A153 VanDerWaalsContact O-N 3.12Å |
| 152 | G | 38.2 | Very low | 39.5 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | -75.2 | 94 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L150 | L150-G152 PolarHBondContact O-N 2.88Š| ||
| 153 | A | 48.4 | Very low | 39.8 | Very low | 83 Ų | 83 | 143 Ų | 143 | 69% | 0.686 | 84% | 0.835 | S | S | * | * | trans | -85.9 | 115.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 107 | P151 | P151-A153 PolarHBondContact O-N 3.27Å; P151-A153 VanDerWaalsContact O-N 3.12Å | ||
| 154 | E | 48.3 | Very low | 40 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | 163.6 | 117.2 | 124.8 | 63 | -157.5 | 121.5 | 0 | 0 | 111.8 | |||||
| 155 | N | 43.4 | Very low | 40.6 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | trans | -60.8 | 141.7 | 155.2 | -70.8 | -82.2 | 0 | 0 | 0 | 108.3 | ||||
| 156 | L | 51.3 | Low | 41.2 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 85% | 0.853 | 85% | 0.852 | S | S | * | * | trans | -177.5 | 126.6 | 139.8 | -96.5 | 153.7 | 0 | 0 | 0 | 111.8 | ||||
| 157 | V | 44.8 | Very low | 41.7 | Very low | 215 Ų | 215 | 147.9 Ų | 147.9 | 100% | 1.303 | 86% | 0.856 | S | S | * | * | trans | 83.1 | 0 | 169.3 | -171 | 0 | 0 | 0 | 0 | 117.6 |
Retrieved 157 of 157 residues in 256.4 ms
(Link to these results)