| 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 | 39.2 | Very low | 37.4 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 93% | 0.931 | 74% | 0.74 | S | S | * | * | 0 | 148.6 | 0 | -80.2 | 150.1 | 170.1 | 0 | 0 | 110.1 | R358 | M1-R358 VanDerWaalsContact C-NH2 3.34Å; M1-R358 PolarHBondContact O-NH2 3Å | |||
| 2 | S | 43.9 | Very low | 37.7 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | 36.8 | 100.2 | 160 | 50.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 3 | V | 41.2 | Very low | 37.3 | Very low | 131 Ų | 131 | 135 Ų | 135 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | 90.9 | 96.8 | 105.4 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 4 | P | 42.9 | Very low | 36.9 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | trans | -90 | -159.4 | 164.1 | 38.1 | -26.5 | 0 | 0 | 0 | 108.6 | ||||
| 5 | P | 43.8 | Very low | 36.8 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | -116.4 | -160.5 | -66.1 | 32.4 | -13.1 | 0 | 0 | 0 | 108.1 | |||||
| 6 | S | 33.7 | Very low | 36.9 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | trans | 133.6 | 140.6 | 132.6 | 73.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 7 | R | 30.7 | Very low | 36.7 | Very low | 238 Ų | 238 | 129.4 Ų | 129.4 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | trans | 64.8 | 144.1 | 139.9 | -82.9 | 173.9 | 164.4 | 141.4 | -5.6 | 116 | ||||
| 8 | A | 37.4 | Very low | 36.7 | Very low | 62 Ų | 62 | 134.2 Ų | 134.2 | 51% | 0.512 | 75% | 0.751 | S | S | . | * | cis | -163.8 | 149.5 | 3.1 | 0 | 0 | 0 | 0 | 0 | 103.1 | S10 | A8-S10 VanDerWaalsContact C-N 3.26Å; A8-S10 PolarHBondContact O-N 3.15Å; A8-S10 VanDerWaalsContact O-N 3.12Å | ||
| 9 | Q | 31.9 | Very low | 36.4 | Very low | 205 Ų | 205 | 135.1 Ų | 135.1 | 96% | 0.958 | 75% | 0.754 | S | S | * | * | 23 | 67.8 | 91.5 | -80.3 | -176.2 | -38.2 | 0 | 0 | 115.1 | |||||
| 10 | S | 31.4 | Very low | 36.3 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | trans | 172.1 | 103.8 | 153.7 | 49.7 | 0 | 0 | 0 | 0 | 104.3 | A8 | A8-S10 VanDerWaalsContact C-N 3.26Å; A8-S10 PolarHBondContact O-N 3.15Å; A8-S10 VanDerWaalsContact O-N 3.12Å | ||
| 11 | D | 35.7 | Very low | 36.3 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | -150.5 | 66.9 | 108.4 | -72.3 | -34.6 | 0 | 0 | 0 | 110.6 | |||||
| 12 | V | 40.2 | Very low | 36.1 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -74.6 | 110.4 | 134.8 | 176.9 | 0 | 0 | 0 | 0 | 103.7 | ||
| 13 | L | 32.6 | Very low | 35.7 | Very low | 166 Ų | 166 | 129 Ų | 129 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 97.1 | 61.5 | -173.2 | -60.8 | 143.4 | 0 | 0 | 0 | 117 | ||
| 14 | S | 31.5 | Very low | 35.6 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 57% | 0.566 | 75% | 0.746 | S | S | * | * | trans | -163.8 | 75.3 | 145.2 | -146.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 15 | A | 36.3 | Very low | 35.7 | Very low | 73 Ų | 73 | 136.5 Ų | 136.5 | 60% | 0.603 | 75% | 0.747 | S | S | * | * | trans | -146.7 | 25.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q17 | A15-Q17 PolarHBondContact O-N 3.38Š| ||
| 16 | S | 38 | Very low | 35.8 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 88% | 0.881 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 23.6 | 159.1 | 76.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 17 | Q | 33.4 | Very low | 36.8 | Very low | 165 Ų | 165 | 141 Ų | 141 | 77% | 0.771 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.4 | 34.6 | -179.4 | -136.9 | 169.5 | 7.4 | 0 | 0 | 109.9 | A15 | A15-Q17 PolarHBondContact O-N 3.38Š|
| 18 | Y | 36.3 | Very low | 38 | Very low | 215 Ų | 215 | 140.3 Ų | 140.3 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | -90 | 59.8 | 143.4 | -85.8 | -83.1 | 0 | 0 | 0 | 108.6 | G20 | Y18-G20 PolarHBondContact O-N 3.49Š| ||
| 19 | D | 32.4 | Very low | 39.2 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | trans | -80.4 | 48.9 | 146.6 | -157.4 | 18.3 | 0 | 0 | 0 | 107.8 | T21 | D19-T21 VanDerWaalsContact C-N 3.26Å; D19-T21 PolarHBondContact O-N 3.45Å; D19-T21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | G | 32.6 | Very low | 40.8 | Very low | 51 Ų | 51 | 134.1 Ų | 134.1 | 53% | 0.526 | 71% | 0.706 | S | S | . | * | trans | -81.7 | 84.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | Y18 M22 | Y18-G20 PolarHBondContact O-N 3.49Å; G20-M22 PolarHBondContact O-N 3.12Å; G20-M22 VanDerWaalsContact O-N 3.08Å | ||
| 21 | T | 36.7 | Very low | 42.7 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | trans | -4 | 101.3 | 168 | 46.5 | 0 | 0 | 0 | 0 | 112.3 | D19 G23 | D19-T21 VanDerWaalsContact C-N 3.26Å; D19-T21 PolarHBondContact O-N 3.45Å; D19-T21 VanDerWaalsContact O-N 3.09Å; T21-G23 VanDerWaalsContact C-N 3.29Å; T21-G23 PolarHBondContact O-N 3.02Å | ||
| 22 | M | 36.7 | Very low | 44.7 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 94% | 0.936 | 70% | 0.701 | S | S | * | * | trans | -52.3 | 102.4 | 169.4 | -85.1 | -151.3 | -177.1 | 0 | 0 | 107 | G20 R24 | G20-M22 PolarHBondContact O-N 3.12Å; G20-M22 VanDerWaalsContact O-N 3.08Å; M22-R24 VanDerWaalsContact C-N 3.35Å; M22-R24 PolarHBondContact O-N 3.42Å | ||
| 23 | G | 34 | Very low | 46.4 | Very low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 67% | 0.674 | S | S | * | * | trans | -55.3 | 103.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | T21 K25 | T21-G23 VanDerWaalsContact C-N 3.29Å; T21-G23 PolarHBondContact O-N 3.02Å; G23-K25 PolarHBondContact O-N 3.38Å | ||
| 24 | R | 39.2 | Very low | 48.6 | Very low | 227 Ų | 227 | 128.5 Ų | 128.5 | 86% | 0.857 | 65% | 0.652 | S | S | * | * | trans | -52.8 | 103.4 | 176.4 | -133.9 | 179.7 | -173.4 | 177.6 | 1.9 | 105.4 | M22 H26 | M22-R24 VanDerWaalsContact C-N 3.35Å; M22-R24 PolarHBondContact O-N 3.42Å; R24-H26 VanDerWaalsContact C-N 3.28Å; R24-H26 PolarHBondContact O-N 3.48Å | ||
| 25 | K | 45.7 | Very low | 51.1 | Low | 171 Ų | 171 | 128 Ų | 128 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | trans | -57.4 | 99 | 174.1 | -81.1 | -177.3 | 178.4 | 175.6 | 0 | 106.3 | G23 Y27 | G23-K25 PolarHBondContact O-N 3.38Å; K25-Y27 VanDerWaalsContact C-N 3.31Å; K25-Y27 HydrophobicContact CB-CE2 4.49Å; K25-Y27 WeakPolarHBondContact O-CD2 2.84Å; K25-Y27 PolarHBondContact O-N 3.32Å | ||
| 26 | H | 46.4 | Very low | 53.4 | Low | 174 Ų | 174 | 128.8 Ų | 128.8 | 81% | 0.806 | 64% | 0.64 | S | S | * | * | trans | -67.2 | 96.1 | 175 | -110.1 | 82.9 | 0 | 0 | 0 | 106.5 | R24 R28 | R24-H26 VanDerWaalsContact C-N 3.28Å; R24-H26 PolarHBondContact O-N 3.48Å; H26-R28 PolarHBondContact O-N 3.41Å; H26-R28 VanDerWaalsContact O-N 3.13Å | ||
| 27 | Y | 53.2 | Low | 55.7 | Low | 119 Ų | 119 | 126.8 Ų | 126.8 | 47% | 0.467 | 62% | 0.615 | S | S | . | * | trans | -64.4 | 113.9 | 167.6 | -65.6 | -75 | 0 | 0 | 0 | 106.9 | K25 I29 Y124 | K25-Y27 VanDerWaalsContact C-N 3.31Å; K25-Y27 HydrophobicContact CB-CE2 4.49Å; K25-Y27 WeakPolarHBondContact O-CD2 2.84Å; K25-Y27 PolarHBondContact O-N 3.32Å; Y27-I29 PolarHBondContact O-N 3.2Å; Y27-Y124 AromaticContact CD1-CD2 3.45Å; Y27-Y124 HydrophobicContact CD1-CD2 3.45Å; Y27-Y124 VanDerWaalsContact CD1-CD2 3.45Å; Y27-Y124 AromaticContact CD1-CE2 3.38Å; Y27-Y124 HydrophobicContact CD1-CE2 3.38Å; Y27-Y124 HydrophobicContact CD2-CD2 4.17Å; Y27-Y124 HydrophobicContact CD2-CE2 4.03Å; Y27-Y124 AromaticContact CE1-CD2 3.89Å; Y27-Y124 HydrophobicContact CE1-CD2 3.89Å; Y27-Y124 AromaticContact CE1-CE2 3.28Å; Y27-Y124 HydrophobicContact CE1-CE2 3.28Å; Y27-Y124 AromaticContact CE2-CE2 3.93Å; Y27-Y124 HydrophobicContact CE2-CE2 3.93Å; Y27-Y124 AromaticContact CG-CD2 3.6Å; Y27-Y124 HydrophobicContact CG-CD2 3.6Å; Y27-Y124 AromaticContact CG-CE2 3.75Å; Y27-Y124 HydrophobicContact CG-CE2 3.75Å; Y27-Y124 AromaticContact CZ-CE2 3.55Å | ||
| 28 | R | 56.1 | Low | 58.3 | Low | 225 Ų | 225 | 122.8 Ų | 122.8 | 85% | 0.849 | 60% | 0.602 | S | S | * | * | trans | -63.2 | 103.2 | 170.1 | -71.7 | -123.4 | -118.7 | -175.2 | -1.4 | 107.6 | H26 N30 | H26-R28 PolarHBondContact O-N 3.41Å; H26-R28 VanDerWaalsContact O-N 3.13Å; R28-N30 PolarHBondContact O-N 2.9Å | ||
| 29 | I | 62.2 | Low | 60.9 | Low | 53 Ų | 53 | 118.1 Ų | 118.1 | 27% | 0.272 | 59% | 0.591 | S | S | . | * | trans | -72.5 | 110.5 | 173.9 | -61.4 | 173.2 | 0 | 0 | 0 | 106.8 | Y27 Y31 | Y27-I29 PolarHBondContact O-N 3.2Å; I29-Y31 HydrophobicContact CB-CD2 4.36Å; I29-Y31 HydrophobicContact CB-CE2 3.85Å; I29-Y31 HydrophobicContact CG2-CD1 3.96Å; I29-Y31 HydrophobicContact CG2-CD2 4.03Å; I29-Y31 HydrophobicContact CG2-CE1 3.72Å; I29-Y31 HydrophobicContact CG2-CE2 3.79Å; I29-Y31 HydrophobicContact CG2-CG 4.11Å; I29-Y31 VanDerWaalsContact O-CD2 3.29Å; I29-Y31 WeakPolarHBondContact O-CD2 3.49Å; I29-Y31 PolarHBondContact O-N 2.83Å; I29-Y31 VanDerWaalsContact O-N 3.13Å | ||
| 30 | N | 67.3 | Low | 63.7 | Low | 84 Ų | 84 | 114.5 Ų | 114.5 | 45% | 0.449 | 57% | 0.569 | S | S | . | * | trans | -81.7 | 89.5 | 171.4 | -85.8 | -12 | 0 | 0 | 0 | 109 | R28 F32 I33 | R28-N30 PolarHBondContact O-N 2.9Å; N30-F32 PolarHBondContact O-N 3.03Å; N30-I33 HydrophobicContact CB-CD1 3.5Å; N30-I33 VanDerWaalsContact CB-CD1 3.5Å; N30-I33 HydrophobicContact CB-CG1 3.76Å; N30-I33 PolarHBondContact O-N 3.18Å | ||
| 31 | Y | 70 | Confident | 66.5 | Low | 129 Ų | 129 | 115.6 Ų | 115.6 | 51% | 0.506 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59 | -24.2 | 178 | -67.1 | -81.7 | 0 | 0 | 0 | 113.5 | I29 I33 P35 N126 | I29-Y31 HydrophobicContact CB-CD2 4.36Å; I29-Y31 HydrophobicContact CB-CE2 3.85Å; I29-Y31 HydrophobicContact CG2-CD1 3.96Å; I29-Y31 HydrophobicContact CG2-CD2 4.03Å; I29-Y31 HydrophobicContact CG2-CE1 3.72Å; I29-Y31 HydrophobicContact CG2-CE2 3.79Å; I29-Y31 HydrophobicContact CG2-CG 4.11Å; I29-Y31 VanDerWaalsContact O-CD2 3.29Å; I29-Y31 WeakPolarHBondContact O-CD2 3.49Å; I29-Y31 PolarHBondContact O-N 2.83Å; I29-Y31 VanDerWaalsContact O-N 3.13Å; Y31-I33 VanDerWaalsContact C-N 3.34Å; Y31-I33 PolarHBondContact O-N 3.16Å; Y31-P35 VanDerWaalsContact O-CD 3.23Å; Y31-P35 WeakPolarHBondContact O-CD 3.37Å; Y31-N126 WeakPolarHBondContact CD1-OD1 3.34Å; Y31-N126 VanDerWaalsContact CE1-OD1 3.25Å; Y31-N126 WeakPolarHBondContact CE1-OD1 3.11Å |
| 32 | F | 78 | Confident | 69.3 | Low | 156 Ų | 156 | 113.6 Ų | 113.6 | 68% | 0.684 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -14.7 | -179.4 | -66.6 | -76.3 | 0 | 0 | 0 | 114.8 | N30 V34 P35 I36 | N30-F32 PolarHBondContact O-N 3.03Å; F32-V34 PolarHBondContact O-N 3.47Å; F32-P35 WeakPolarHBondContact O-CD 3.45Å; F32-P35 WeakPolarHBondContact O-CG 3.02Å; F32-I36 HydrophobicContact CB-CD1 3.94Å; F32-I36 WeakPolarHBondContact O-CB 3.38Å; F32-I36 VanDerWaalsContact O-CD1 3.29Å; F32-I36 WeakPolarHBondContact O-CD1 3.23Å; F32-I36 WeakPolarHBondContact O-CG1 3.33Å; F32-I36 PolarHBondContact O-N 2.71Å; F32-I36 VanDerWaalsContact O-N 3.16Å |
| 33 | I | 75.2 | Confident | 72.1 | Confident | 54 Ų | 54 | 106.3 Ų | 106.3 | 28% | 0.277 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | -175 | -68.9 | 169.8 | 0 | 0 | 0 | 111.9 | N30 Y31 F37 V123 | N30-I33 HydrophobicContact CB-CD1 3.5Å; N30-I33 VanDerWaalsContact CB-CD1 3.5Å; N30-I33 HydrophobicContact CB-CG1 3.76Å; N30-I33 PolarHBondContact O-N 3.18Å; Y31-I33 VanDerWaalsContact C-N 3.34Å; Y31-I33 PolarHBondContact O-N 3.16Å; I33-F37 VanDerWaalsContact O-CB 3.32Å; I33-F37 WeakPolarHBondContact O-CB 3.39Å; I33-F37 PolarHBondContact O-N 2.9Å; I33-V123 HydrophobicContact CD1-CG1 4.36Å |
| 34 | V | 78.6 | Confident | 75 | Confident | 64 Ų | 64 | 104.5 Ų | 104.5 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -52.4 | -177 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | F32 I36 F37 V38 N126 | F32-V34 PolarHBondContact O-N 3.47Å; V34-I36 VanDerWaalsContact C-N 3.31Å; V34-I36 PolarHBondContact O-N 3.42Å; V34-F37 PolarHBondContact O-N 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 2.91Å; V34-V38 PolarHBondContact O-N 3.08Å; V34-N126 HydrophobicContact CG2-CB 4.4Å |
| 35 | P | 85.1 | Confident | 77.8 | Confident | 71 Ų | 71 | 96.5 Ų | 96.5 | 46% | 0.461 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 179.2 | 23.4 | -33.5 | 0 | 0 | 0 | 112.6 | Y31 F32 V38 L39 | Y31-P35 VanDerWaalsContact O-CD 3.23Å; Y31-P35 WeakPolarHBondContact O-CD 3.37Å; F32-P35 WeakPolarHBondContact O-CD 3.45Å; F32-P35 WeakPolarHBondContact O-CG 3.02Å; P35-V38 PolarHBondContact O-N 3.29Å; P35-L39 WeakPolarHBondContact O-CB 3.16Å; P35-L39 PolarHBondContact O-N 2.81Å |
| 36 | I | 85 | Confident | 80.2 | Confident | 89 Ų | 89 | 92.2 Ų | 92.2 | 46% | 0.456 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 174.6 | -67.8 | 169.3 | 0 | 0 | 0 | 110.4 | F32 V34 V38 L39 E40 | F32-I36 HydrophobicContact CB-CD1 3.94Å; F32-I36 WeakPolarHBondContact O-CB 3.38Å; F32-I36 VanDerWaalsContact O-CD1 3.29Å; F32-I36 WeakPolarHBondContact O-CD1 3.23Å; F32-I36 WeakPolarHBondContact O-CG1 3.33Å; F32-I36 PolarHBondContact O-N 2.71Å; F32-I36 VanDerWaalsContact O-N 3.16Å; V34-I36 VanDerWaalsContact C-N 3.31Å; V34-I36 PolarHBondContact O-N 3.42Å; I36-V38 PolarHBondContact O-N 3.09Å; I36-L39 WeakPolarHBondContact O-CB 3.34Å; I36-L39 PolarHBondContact O-N 3.5Å; I36-E40 HydrophobicContact CG2-CG 4.41Å; I36-E40 WeakPolarHBondContact O-CG 3.23Å; I36-E40 PolarHBondContact O-N 2.96Å |
| 37 | F | 85.5 | Confident | 82.6 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 177.9 | 175.8 | -109.5 | 0 | 0 | 0 | 112.6 | I33 V34 L39 E40 V41 L140 | I33-F37 VanDerWaalsContact O-CB 3.32Å; I33-F37 WeakPolarHBondContact O-CB 3.39Å; I33-F37 PolarHBondContact O-N 2.9Å; V34-F37 PolarHBondContact O-N 3.29Å; F37-L39 VanDerWaalsContact C-N 3.33Å; F37-L39 PolarHBondContact O-N 2.95Å; F37-E40 PolarHBondContact O-N 3.26Å; F37-V41 HydrophobicContact CD2-CG2 4.38Å; F37-V41 HydrophobicContact CE1-CG2 4.14Å; F37-V41 HydrophobicContact CE2-CG2 3.84Å; F37-V41 HydrophobicContact CZ-CG2 3.73Å; F37-V41 WeakPolarHBondContact O-CG2 3.27Å; F37-V41 PolarHBondContact O-N 2.78Å; F37-L140 HydrophobicContact CD2-CD2 3.65Å; F37-L140 HydrophobicContact CE2-CD1 4.1Å; F37-L140 HydrophobicContact CE2-CD2 3.21Å; F37-L140 HydrophobicContact CE2-CG 4.09Å; F37-L140 HydrophobicContact CZ-CD2 4.08Å |
| 38 | V | 88.6 | Confident | 84.7 | Confident | 81 Ų | 81 | 84.7 Ų | 84.7 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.7 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | V34 P35 I36 E40 V41 V42 | V34-V38 WeakPolarHBondContact O-CG2 2.91Å; V34-V38 PolarHBondContact O-N 3.08Å; P35-V38 PolarHBondContact O-N 3.29Å; I36-V38 PolarHBondContact O-N 3.09Å; V38-E40 PolarHBondContact O-N 3.46Å; V38-V41 PolarHBondContact O-N 3.45Å; V38-V42 HydrophobicContact CG1-CG2 4.45Å; V38-V42 WeakPolarHBondContact O-CG2 3.38Å; V38-V42 PolarHBondContact O-N 3.02Å |
| 39 | L | 90.5 | Very high | 86.6 | Confident | 118 Ų | 118 | 76 Ų | 76 | 62% | 0.618 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.9 | -44.1 | 176.3 | -170.9 | 160 | 0 | 0 | 0 | 111.4 | P35 I36 F37 V41 V42 A43 | P35-L39 WeakPolarHBondContact O-CB 3.16Å; P35-L39 PolarHBondContact O-N 2.81Å; I36-L39 WeakPolarHBondContact O-CB 3.34Å; I36-L39 PolarHBondContact O-N 3.5Å; F37-L39 VanDerWaalsContact C-N 3.33Å; F37-L39 PolarHBondContact O-N 2.95Å; L39-V41 PolarHBondContact O-N 3.15Å; L39-V42 PolarHBondContact O-N 3.24Å; L39-A43 VanDerWaalsContact O-CB 3.26Å; L39-A43 WeakPolarHBondContact O-CB 3.33Å; L39-A43 PolarHBondContact O-N 3.39Å |
| 40 | E | 91.1 | Very high | 88.2 | Confident | 75 Ų | 75 | 77 Ų | 77 | 35% | 0.35 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 176.7 | -74.8 | 178.9 | -176.7 | 0 | 0 | 112.1 | I36 F37 V38 A43 L44 | I36-E40 HydrophobicContact CG2-CG 4.41Å; I36-E40 WeakPolarHBondContact O-CG 3.23Å; I36-E40 PolarHBondContact O-N 2.96Å; F37-E40 PolarHBondContact O-N 3.26Å; V38-E40 PolarHBondContact O-N 3.46Å; E40-A43 PolarHBondContact O-N 2.62Å; E40-L44 WeakPolarHBondContact O-CB 3.43Å; E40-L44 VanDerWaalsContact O-CG 3.32Å; E40-L44 WeakPolarHBondContact O-CG 3.39Å; E40-L44 PolarHBondContact O-N 2.82Å |
| 41 | V | 92.3 | Very high | 89.6 | Confident | 73 Ų | 73 | 73.3 Ų | 73.3 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 178.3 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | F37 V38 L39 L44 A45 | F37-V41 HydrophobicContact CD2-CG2 4.38Å; F37-V41 HydrophobicContact CE1-CG2 4.14Å; F37-V41 HydrophobicContact CE2-CG2 3.84Å; F37-V41 HydrophobicContact CZ-CG2 3.73Å; F37-V41 WeakPolarHBondContact O-CG2 3.27Å; F37-V41 PolarHBondContact O-N 2.78Å; V38-V41 PolarHBondContact O-N 3.45Å; L39-V41 PolarHBondContact O-N 3.15Å; V41-L44 PolarHBondContact O-N 3.28Å; V41-A45 WeakPolarHBondContact O-CB 3.21Å; V41-A45 PolarHBondContact O-N 3.04Å |
| 42 | V | 95.3 | Very high | 90.8 | Very high | 83 Ų | 83 | 73.4 Ų | 73.4 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 177.8 | 173 | 0 | 0 | 0 | 0 | 110.7 | V38 L39 L44 A45 C46 | V38-V42 HydrophobicContact CG1-CG2 4.45Å; V38-V42 WeakPolarHBondContact O-CG2 3.38Å; V38-V42 PolarHBondContact O-N 3.02Å; L39-V42 PolarHBondContact O-N 3.24Å; V42-L44 PolarHBondContact O-N 2.84Å; V42-A45 PolarHBondContact O-N 3.44Å; V42-C46 PolarHBondContact O-N 3.38Å; V42-C46 PolarHBondContact O-SG 3.23Å |
| 43 | A | 94.5 | Very high | 91.6 | Very high | 37 Ų | 37 | 71.8 Ų | 71.8 | 31% | 0.306 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L39 E40 A45 C46 L47 | L39-A43 VanDerWaalsContact O-CB 3.26Å; L39-A43 WeakPolarHBondContact O-CB 3.33Å; L39-A43 PolarHBondContact O-N 3.39Å; E40-A43 PolarHBondContact O-N 2.62Å; A43-A45 PolarHBondContact O-N 2.94Å; A43-C46 PolarHBondContact O-N 2.85Å; A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 2.78Å |
| 44 | L | 95.7 | Very high | 92.5 | Very high | 29 Ų | 29 | 69.9 Ų | 69.9 | 15% | 0.152 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 176 | -76.3 | 172.6 | 0 | 0 | 0 | 112.2 | E40 V41 V42 L47 W48 M147 F148 L151 | E40-L44 WeakPolarHBondContact O-CB 3.43Å; E40-L44 VanDerWaalsContact O-CG 3.32Å; E40-L44 WeakPolarHBondContact O-CG 3.39Å; E40-L44 PolarHBondContact O-N 2.82Å; V41-L44 PolarHBondContact O-N 3.28Å; V42-L44 PolarHBondContact O-N 2.84Å; L44-L47 PolarHBondContact O-N 2.86Å; L44-W48 PolarHBondContact O-N 2.84Å; L44-M147 HydrophobicContact CD2-CB 4.21Å; L44-F148 HydrophobicContact CD2-CB 3.87Å; L44-L151 HydrophobicContact CD2-CD1 4.15Å |
| 45 | A | 96.3 | Very high | 93.2 | Very high | 59 Ų | 59 | 69.2 Ų | 69.2 | 49% | 0.488 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V41 V42 A43 L47 W48 A49 | V41-A45 WeakPolarHBondContact O-CB 3.21Å; V41-A45 PolarHBondContact O-N 3.04Å; V42-A45 PolarHBondContact O-N 3.44Å; A43-A45 PolarHBondContact O-N 2.94Å; A45-L47 PolarHBondContact O-N 3.22Å; A45-W48 PolarHBondContact O-N 3.31Å; A45-A49 PolarHBondContact O-N 3.21Å |
| 46 | C | 96.9 | Very high | 93.4 | Very high | 81 Ų | 81 | 71.1 Ų | 71.1 | 55% | 0.547 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 175.2 | -69.4 | 0 | 0 | 0 | 0 | 112.3 | V42 A43 A49 L50 | V42-C46 PolarHBondContact O-N 3.38Å; V42-C46 PolarHBondContact O-SG 3.23Å; A43-C46 PolarHBondContact O-N 2.85Å; C46-A49 PolarHBondContact O-N 3.16Å; C46-L50 WeakPolarHBondContact O-CB 3.48Å; C46-L50 PolarHBondContact O-N 2.97Å |
| 47 | L | 97.2 | Very high | 93.7 | Very high | 26 Ų | 26 | 68 Ų | 68 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 176.7 | -70.3 | 173.8 | 0 | 0 | 0 | 112.3 | A43 L44 A45 L50 F51 F148 L151 I152 I155 | A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 2.78Å; L44-L47 PolarHBondContact O-N 2.86Å; A45-L47 PolarHBondContact O-N 3.22Å; L47-L50 PolarHBondContact O-N 2.89Å; L47-F51 WeakPolarHBondContact O-CB 2.89Å; L47-F51 PolarHBondContact O-N 3.02Å; L47-F148 HydrophobicContact CD1-CD2 3.4Å; L47-F148 VanDerWaalsContact CD1-CD2 3.4Å; L47-F148 HydrophobicContact CD1-CE2 3.57Å; L47-F148 HydrophobicContact CD1-CG 4.44Å; L47-L151 HydrophobicContact CB-CB 4.15Å; L47-L151 HydrophobicContact CB-CD1 3.91Å; L47-I152 HydrophobicContact CD1-CD1 4.1Å; L47-I152 HydrophobicContact CD1-CG1 4.25Å; L47-I152 HydrophobicContact CD2-CD1 3.71Å; L47-I155 HydrophobicContact CB-CD1 4.2Å; L47-I155 HydrophobicContact CD2-CD1 3.64Å |
| 48 | W | 96.4 | Very high | 93.7 | Very high | 108 Ų | 108 | 68.7 Ų | 68.7 | 41% | 0.409 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 173.8 | -98 | 104.3 | 0 | 0 | 0 | 112.1 | L44 A45 F51 Y52 F98 M147 L151 | L44-W48 PolarHBondContact O-N 2.84Å; A45-W48 PolarHBondContact O-N 3.31Å; W48-F51 HydrophobicContact CE3-CD1 4.1Å; W48-F51 HydrophobicContact CZ3-CD1 4.09Å; W48-F51 HydrophobicContact CZ3-CE1 4.17Å; W48-F51 PolarHBondContact O-N 3.12Å; W48-Y52 WeakPolarHBondContact O-CB 3.28Å; W48-Y52 PolarHBondContact O-N 3.45Å; W48-F98 HydrophobicContact CH2-CZ 4.5Å; W48-F98 HydrophobicContact CZ2-CE1 4.32Å; W48-F98 HydrophobicContact CZ2-CZ 4.42Å; W48-M147 HydrophobicContact CZ2-CE 3.83Å; W48-L151 VanDerWaalsContact CD1-CD1 3.4Å; W48-L151 HydrophobicContact CD2-CD2 3.76Å; W48-L151 HydrophobicContact CE3-CD2 4.26Å; W48-L151 HydrophobicContact CG-CD1 4.01Å; W48-L151 HydrophobicContact CG-CD2 3.94Å; W48-L151 HydrophobicContact CZ2-CD2 4.3Å |
| 49 | A | 96.5 | Very high | 93.8 | Very high | 44 Ų | 44 | 69.5 Ų | 69.5 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A45 C46 F51 Y52 Y53 | A45-A49 PolarHBondContact O-N 3.21Å; C46-A49 PolarHBondContact O-N 3.16Å; A49-F51 PolarHBondContact O-N 2.9Å; A49-Y52 WeakPolarHBondContact O-CB 3.28Å; A49-Y52 PolarHBondContact O-N 2.61Å; A49-Y52 VanDerWaalsContact O-N 3.16Å; A49-Y53 WeakPolarHBondContact O-CD2 3.35Å; A49-Y53 PolarHBondContact O-N 3.34Å |
| 50 | L | 96.6 | Very high | 93.7 | Very high | 73 Ų | 73 | 68 Ų | 68 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 178.5 | 179.9 | 58.3 | 0 | 0 | 0 | 112 | C46 L47 Y52 Y53 L54 I155 | C46-L50 WeakPolarHBondContact O-CB 3.48Å; C46-L50 PolarHBondContact O-N 2.97Å; L47-L50 PolarHBondContact O-N 2.89Å; L50-Y52 PolarHBondContact O-N 2.81Å; L50-Y53 PolarHBondContact O-N 3.21Å; L50-L54 HydrophobicContact CD1-CD1 3.93Å; L50-L54 HydrophobicContact CD1-CG 4.1Å; L50-L54 HydrophobicContact CG-CD1 3.92Å; L50-L54 WeakPolarHBondContact O-CB 3.33Å; L50-L54 WeakPolarHBondContact O-CG 3.38Å; L50-L54 PolarHBondContact O-N 3.09Å; L50-I155 HydrophobicContact CB-CD1 4.38Å; L50-I155 HydrophobicContact CD2-CD1 4.08Å; L50-I155 HydrophobicContact CD2-CG1 4.49Å; L50-I155 HydrophobicContact CD2-CG2 4.07Å; L50-I155 HydrophobicContact CG-CD1 4.28Å; L50-I155 HydrophobicContact CG-CG1 4.39Å; L50-I155 HydrophobicContact CG-CG2 4.47Å |
| 51 | F | 96 | Very high | 93.6 | Very high | 6 Ų | 6 | 69.7 Ų | 69.7 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.6 | -47 | 174.3 | 168 | -115.2 | 0 | 0 | 0 | 111.7 | L47 W48 A49 Y53 L54 R55 F56 Y94 L151 C154 I155 | L47-F51 WeakPolarHBondContact O-CB 2.89Å; L47-F51 PolarHBondContact O-N 3.02Å; W48-F51 HydrophobicContact CE3-CD1 4.1Å; W48-F51 HydrophobicContact CZ3-CD1 4.09Å; W48-F51 HydrophobicContact CZ3-CE1 4.17Å; W48-F51 PolarHBondContact O-N 3.12Å; A49-F51 PolarHBondContact O-N 2.9Å; F51-Y53 PolarHBondContact O-N 3.13Å; F51-L54 PolarHBondContact O-N 2.74Å; F51-R55 HydrophobicContact CD2-CB 4.45Å; F51-R55 HydrophobicContact CE2-CB 4.09Å; F51-R55 HydrophobicContact CE2-CG 4.24Å; F51-R55 HydrophobicContact CZ-CB 4.46Å; F51-R55 HydrophobicContact CZ-CG 4.36Å; F51-R55 VanDerWaalsContact O-CB 3.22Å; F51-R55 WeakPolarHBondContact O-CB 3.13Å; F51-R55 PolarHBondContact O-N 3.08Å; F51-F56 HydrophobicContact CE1-CE2 4.5Å; F51-Y94 AromaticContact CZ-CE1 3.79Å; F51-Y94 HydrophobicContact CZ-CE1 3.79Å; F51-Y94 AromaticContact CZ-CZ 3.83Å; F51-L151 HydrophobicContact CB-CD2 4.23Å; F51-L151 HydrophobicContact CD1-CD2 4.25Å; F51-L151 HydrophobicContact CG-CD2 4.38Å; F51-C154 HydrophobicContact CD2-CB 3.53Å; F51-C154 HydrophobicContact CE2-CB 3.57Å; F51-C154 HydrophobicContact CG-CB 4.4Å; F51-C154 HydrophobicContact CZ-CB 4.46Å; F51-I155 HydrophobicContact CB-CG1 4.06Å |
| 52 | Y | 95.4 | Very high | 93.5 | Very high | 132 Ų | 132 | 68.1 Ų | 68.1 | 52% | 0.518 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 178.6 | 178.4 | -93.5 | 0 | 0 | 0 | 112.2 | W48 A49 L50 R55 F56 T57 | W48-Y52 WeakPolarHBondContact O-CB 3.28Å; W48-Y52 PolarHBondContact O-N 3.45Å; A49-Y52 WeakPolarHBondContact O-CB 3.28Å; A49-Y52 PolarHBondContact O-N 2.61Å; A49-Y52 VanDerWaalsContact O-N 3.16Å; L50-Y52 PolarHBondContact O-N 2.81Å; Y52-R55 PolarHBondContact O-N 3.03Å; Y52-F56 HydrophobicContact CD2-CB 4.38Å; Y52-F56 AromaticContact CD2-CD2 3.65Å; Y52-F56 HydrophobicContact CD2-CD2 3.65Å; Y52-F56 HydrophobicContact CD2-CE2 4.37Å; Y52-F56 HydrophobicContact CD2-CG 4.34Å; Y52-F56 HydrophobicContact CE2-CB 4.16Å; Y52-F56 HydrophobicContact CE2-CD2 4.04Å; Y52-F56 HydrophobicContact CE2-CG 4.31Å; Y52-F56 HydrophobicContact CG-CD2 4.35Å; Y52-F56 PolarHBondContact O-N 2.89Å; Y52-T57 HydrophobicContact CD1-CG2 4.46Å; Y52-T57 HydrophobicContact CE1-CG2 4.13Å |
| 53 | Y | 95.2 | Very high | 93.3 | Very high | 121 Ų | 121 | 68.9 Ų | 68.9 | 48% | 0.475 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 178.8 | -79.7 | -72.6 | 0 | 0 | 0 | 112.4 | A49 L50 F51 R55 T57 V59 | A49-Y53 WeakPolarHBondContact O-CD2 3.35Å; A49-Y53 PolarHBondContact O-N 3.34Å; L50-Y53 PolarHBondContact O-N 3.21Å; F51-Y53 PolarHBondContact O-N 3.13Å; Y53-R55 VanDerWaalsContact C-N 3.31Å; Y53-R55 PolarHBondContact O-N 3.09Å; Y53-T57 HydrophobicContact CD1-CG2 3.82Å; Y53-T57 HydrophobicContact CE1-CG2 4.38Å; Y53-T57 PolarHBondContact O-N 3.44Å; Y53-T57 PolarHBondContact O-OG1 3.37Å; Y53-V59 HydrophobicContact CD1-CG2 4.5Å |
| 54 | L | 94 | Very high | 93 | Very high | 14 Ų | 14 | 70.5 Ų | 70.5 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.3 | -38 | 177.7 | -72.2 | 168.8 | 0 | 0 | 0 | 112.3 | L50 F51 F60 I155 D158 L162 | L50-L54 HydrophobicContact CD1-CD1 3.93Å; L50-L54 HydrophobicContact CD1-CG 4.1Å; L50-L54 HydrophobicContact CG-CD1 3.92Å; L50-L54 WeakPolarHBondContact O-CB 3.33Å; L50-L54 WeakPolarHBondContact O-CG 3.38Å; L50-L54 PolarHBondContact O-N 3.09Å; F51-L54 PolarHBondContact O-N 2.74Å; L54-F60 HydrophobicContact CD2-CD2 3.68Å; L54-F60 HydrophobicContact CD2-CE2 3.96Å; L54-F60 HydrophobicContact CD2-CG 4.17Å; L54-F60 HydrophobicContact CG-CD2 4.45Å; L54-F60 HydrophobicContact CG-CE2 4.46Å; L54-I155 HydrophobicContact CD1-CB 4.41Å; L54-I155 HydrophobicContact CD1-CG1 4.39Å; L54-I155 HydrophobicContact CD1-CG2 3.86Å; L54-D158 HydrophobicContact CB-CB 4.25Å; L54-L162 HydrophobicContact CD2-CD1 3.76Å |
| 55 | R | 91.9 | Very high | 92.7 | Very high | 51 Ų | 51 | 72.8 Ų | 72.8 | 19% | 0.192 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -87 | -50.9 | -171 | -172.1 | 73.4 | -172.7 | 152.8 | 13.5 | 113.8 | F51 Y52 Y53 Y90 Y94 D158 | F51-R55 HydrophobicContact CD2-CB 4.45Å; F51-R55 HydrophobicContact CE2-CB 4.09Å; F51-R55 HydrophobicContact CE2-CG 4.24Å; F51-R55 HydrophobicContact CZ-CB 4.46Å; F51-R55 HydrophobicContact CZ-CG 4.36Å; F51-R55 VanDerWaalsContact O-CB 3.22Å; F51-R55 WeakPolarHBondContact O-CB 3.13Å; F51-R55 PolarHBondContact O-N 3.08Å; Y52-R55 PolarHBondContact O-N 3.03Å; Y53-R55 VanDerWaalsContact C-N 3.31Å; Y53-R55 PolarHBondContact O-N 3.09Å; R55-Y90 VanDerWaalsContact NH2-CZ 3.27Å; R55-Y94 PolarHBondContact NE-OH 2.9Å; R55-D158 WeakPolarHBondContact CD-OD1 3.25Å; R55-D158 VanDerWaalsContact CD-OD2 3.26Å; R55-D158 WeakPolarHBondContact CD-OD2 3.12Å; R55-D158 IonicContact CZ-OD1 3.16Å; R55-D158 IonicContact NH1-OD1 3.89Å; R55-D158 PolarHBondContact NH1-OD1 3.23Å |
| 56 | F | 90.7 | Very high | 92.4 | Very high | 110 Ų | 110 | 72.7 Ų | 72.7 | 48% | 0.482 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -103.7 | -7.6 | -167.2 | -62.9 | -76 | 0 | 0 | 0 | 113.6 | F51 Y52 | F51-F56 HydrophobicContact CE1-CE2 4.5Å; Y52-F56 HydrophobicContact CD2-CB 4.38Å; Y52-F56 AromaticContact CD2-CD2 3.65Å; Y52-F56 HydrophobicContact CD2-CD2 3.65Å; Y52-F56 HydrophobicContact CD2-CE2 4.37Å; Y52-F56 HydrophobicContact CD2-CG 4.34Å; Y52-F56 HydrophobicContact CE2-CB 4.16Å; Y52-F56 HydrophobicContact CE2-CD2 4.04Å; Y52-F56 HydrophobicContact CE2-CG 4.31Å; Y52-F56 HydrophobicContact CG-CD2 4.35Å; Y52-F56 PolarHBondContact O-N 2.89Å |
| 57 | T | 90.5 | Very high | 92 | Very high | 25 Ų | 25 | 68.9 Ų | 68.9 | 15% | 0.153 | 33% | 0.333 | C | S | . | . | trans | -114.6 | 151.5 | 178.7 | 81.8 | 0 | 0 | 0 | 0 | 111.7 | Y52 Y53 V59 R208 | Y52-T57 HydrophobicContact CD1-CG2 4.46Å; Y52-T57 HydrophobicContact CE1-CG2 4.13Å; Y53-T57 HydrophobicContact CD1-CG2 3.82Å; Y53-T57 HydrophobicContact CE1-CG2 4.38Å; Y53-T57 PolarHBondContact O-N 3.44Å; Y53-T57 PolarHBondContact O-OG1 3.37Å; T57-V59 VanDerWaalsContact C-N 3.26Å; T57-V59 PolarHBondContact O-N 3.25Å; T57-V59 WeakPolarHBondContact OG1-CG2 3.34Å; T57-R208 PolarHBondContact O-NH2 3.21Å | ||
| 58 | N | 86.4 | Confident | 91.6 | Very high | 97 Ų | 97 | 72.1 Ų | 72.1 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -91 | 15.8 | 176.4 | -68.1 | -37.6 | 0 | 0 | 0 | 112.5 | F60 R208 | N58-F60 VanDerWaalsContact C-N 3.26Å; N58-F60 PolarHBondContact O-N 2.89Å; N58-R208 WeakPolarHBondContact OD1-CD 3.39Å; N58-R208 VanDerWaalsContact OD1-CZ 3.27Å; N58-R208 PolarHBondContact OD1-NE 3.48Å; N58-R208 PolarHBondContact OD1-NH1 2.98Å |
| 59 | V | 89.3 | Confident | 91.1 | Very high | 97 Ų | 97 | 67 Ų | 67 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -60.6 | -38.4 | -178.9 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | Y53 T57 | Y53-V59 HydrophobicContact CD1-CG2 4.5Å; T57-V59 VanDerWaalsContact C-N 3.26Å; T57-V59 PolarHBondContact O-N 3.25Å; T57-V59 WeakPolarHBondContact OG1-CG2 3.34Å |
| 60 | F | 89.1 | Confident | 90.6 | Very high | 86 Ų | 86 | 71.4 Ų | 71.4 | 38% | 0.377 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -95.6 | 118.6 | 176 | -61 | -75.1 | 0 | 0 | 0 | 110.2 | L54 N58 L162 R208 | L54-F60 HydrophobicContact CD2-CD2 3.68Å; L54-F60 HydrophobicContact CD2-CE2 3.96Å; L54-F60 HydrophobicContact CD2-CG 4.17Å; L54-F60 HydrophobicContact CG-CD2 4.45Å; L54-F60 HydrophobicContact CG-CE2 4.46Å; N58-F60 VanDerWaalsContact C-N 3.26Å; N58-F60 PolarHBondContact O-N 2.89Å; F60-L162 HydrophobicContact CB-CD1 3.95Å; F60-R208 PolarHBondContact O-NH1 3.45Å |
| 61 | P | 89.6 | Confident | 90.3 | Very high | 111 Ų | 111 | 70.2 Ų | 70.2 | 72% | 0.721 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 146.8 | 173.5 | 29.8 | -33.8 | 0 | 0 | 0 | 109.7 | ||
| 62 | Y | 90.4 | Very high | 90 | Very high | 40 Ų | 40 | 74.1 Ų | 74.1 | 16% | 0.157 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 149.3 | 170.1 | 58.2 | -87.9 | 0 | 0 | 0 | 109.7 | Q64 L162 R208 W211 | Y62-Q64 HydrophobicContact CD2-CG 4.07Å; Y62-Q64 HydrophobicContact CE2-CG 3.72Å; Y62-Q64 PolarHBondContact O-N 2.97Å; Y62-L162 WeakPolarHBondContact CA-O 3.45Å; Y62-R208 HydrophobicContact CD1-CG 4.11Å; Y62-R208 HydrophobicContact CE1-CB 4.12Å; Y62-R208 HydrophobicContact CE1-CG 3.97Å; Y62-W211 HydrophobicContact CD2-CB 3.91Å; Y62-W211 HydrophobicContact CD2-CD2 4.49Å; Y62-W211 HydrophobicContact CD2-CG 4.19Å; Y62-W211 HydrophobicContact CE2-CB 3.7Å; Y62-W211 AromaticContact CE2-CD1 3.82Å; Y62-W211 AromaticContact CE2-CD2 3.9Å; Y62-W211 HydrophobicContact CE2-CD2 3.9Å; Y62-W211 HydrophobicContact CE2-CE3 4.47Å; Y62-W211 AromaticContact CE2-CG 3.56Å; Y62-W211 HydrophobicContact CE2-CG 3.56Å |
| 63 | H | 90.4 | Very high | 89.9 | Confident | 100 Ų | 100 | 70 Ų | 70 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 129.6 | 173.1 | -178.7 | 61.1 | 0 | 0 | 0 | 110.3 | L162 M163 T164 G165 | H63-L162 PolarHBondContact N-O 2.69Å; H63-M163 WeakPolarHBondContact CB-O 3.36Å; H63-T164 PolarHBondContact CD2-O 3.21Å; H63-G165 VanDerWaalsContact O-CA 3.32Å; H63-G165 WeakPolarHBondContact O-CA 3.24Å |
| 64 | Q | 88.5 | Confident | 89.7 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 33% | 0.327 | 33% | 0.331 | S | S | . | . | trans | -100.1 | 106.9 | 179 | -65.3 | 174.7 | -0.2 | 0 | 0 | 109.1 | Y62 P195 P196 W211 | Y62-Q64 HydrophobicContact CD2-CG 4.07Å; Y62-Q64 HydrophobicContact CE2-CG 3.72Å; Y62-Q64 PolarHBondContact O-N 2.97Å; Q64-P195 HydrophobicContact CB-CG 4.12Å; Q64-P196 VanDerWaalsContact CD-CG 3.43Å; Q64-P196 HydrophobicContact CG-CG 4.23Å; Q64-W211 HydrophobicContact CB-CH2 4.32Å; Q64-W211 HydrophobicContact CB-CZ3 4.45Å | ||
| 65 | R | 88.1 | Confident | 89.6 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 29% | 0.291 | 35% | 0.35 | S | S | . | . | trans | -85.4 | 141.3 | 175 | -64.4 | -169.5 | 174.6 | -166.3 | 7.4 | 113.2 | F67 T164 F166 Q167 W211 | R65-F67 PolarHBondContact O-N 3.44Å; R65-T164 WeakPolarHBondContact CD-O 3.3Å; R65-T164 VanDerWaalsContact CZ-O 3.23Å; R65-T164 PolarHBondContact NE-O 3.05Å; R65-T164 PolarHBondContact NH2-O 2.96Å; R65-F166 VanDerWaalsContact NH1-CE2 3.33Å; R65-Q167 PolarHBondContact O-NE2 3.4Å; R65-W211 HydrophobicContact CB-CZ3 4.09Å; R65-W211 WeakPolarHBondContact O-CH2 3.47Å; R65-W211 WeakPolarHBondContact O-CZ3 3.46Å | ||
| 66 | V | 90.1 | Very high | 89.7 | Confident | 57 Ų | 57 | 69.4 Ų | 69.4 | 35% | 0.345 | 36% | 0.355 | S | S | . | . | trans | -56.4 | 140.7 | 168.3 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | H189 S190 E192 | V66-H189 HydrophobicContact CG1-CB 3.74Å; V66-S190 WeakPolarHBondContact CA-OG 3.38Å; V66-E192 HydrophobicContact CG2-CB 4.34Å; V66-E192 HydrophobicContact CG2-CG 4.07Å | ||
| 67 | F | 89.2 | Confident | 89.8 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | trans | -119.6 | 150.4 | 174.4 | 55.7 | -93.1 | 0 | 0 | 0 | 112 | R65 F171 L172 P177 H189 S190 P195 A198 W211 | R65-F67 PolarHBondContact O-N 3.44Å; F67-F171 HydrophobicContact CB-CE1 4.19Å; F67-F171 AromaticContact CD1-CE1 3.61Å; F67-F171 HydrophobicContact CD1-CE1 3.61Å; F67-F171 AromaticContact CD1-CZ 3.86Å; F67-F171 HydrophobicContact CD1-CZ 3.86Å; F67-F171 HydrophobicContact CD2-CE1 4.06Å; F67-F171 AromaticContact CE1-CE1 3.87Å; F67-F171 HydrophobicContact CE1-CE1 3.87Å; F67-F171 AromaticContact CE1-CZ 3.85Å; F67-F171 HydrophobicContact CE1-CZ 3.85Å; F67-F171 HydrophobicContact CE2-CE1 4.29Å; F67-F171 AromaticContact CG-CE1 3.7Å; F67-F171 HydrophobicContact CG-CE1 3.7Å; F67-F171 HydrophobicContact CG-CZ 4.42Å; F67-F171 HydrophobicContact CZ-CE1 4.19Å; F67-F171 HydrophobicContact CZ-CZ 4.39Å; F67-L172 HydrophobicContact CD2-CD2 3.67Å; F67-L172 HydrophobicContact CE2-CD2 3.93Å; F67-P177 HydrophobicContact CE2-CB 4.26Å; F67-H189 VanDerWaalsContact O-CA 3.31Å; F67-H189 WeakPolarHBondContact O-CA 3.43Å; F67-S190 VanDerWaalsContact CE1-CB 3.49Å; F67-S190 PolarHBondContact N-OG 3.29Å; F67-S190 PolarHBondContact O-N 3.27Å; F67-P195 HydrophobicContact CD1-CB 4.34Å; F67-P195 HydrophobicContact CE1-CB 4.1Å; F67-A198 HydrophobicContact CZ-CB 4.09Å; F67-W211 HydrophobicContact CD1-CH2 4.11Å; F67-W211 HydrophobicContact CD1-CZ2 4.25Å; F67-W211 HydrophobicContact CE1-CZ2 4.29Å | ||
| 68 | H | 88.5 | Confident | 89.7 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 44% | 0.44 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -85.4 | 124 | 175.1 | -64.5 | -104.5 | 0 | 0 | 0 | 109.3 | K70 D71 H189 | H68-K70 PolarHBondContact O-N 2.84Å; H68-D71 HydrophobicContact CB-CB 4.02Å; H68-D71 PolarHBondContact O-N 3.22Å; H68-H189 AromaticContact CE1-CE1 3.12Å; H68-H189 PolarHBondContact CE1-CE1 3.18Å; H68-H189 AromaticContact CE1-ND1 3.48Å; H68-H189 PolarHBondContact CE1-ND1 3.48Å; H68-H189 AromaticContact CE1-NE2 3.46Å; H68-H189 PolarHBondContact CE1-NE2 3.13Å; H68-H189 AromaticContact CG-CE1 3.77Å; H68-H189 AromaticContact CG-ND1 3.5Å; H68-H189 AromaticContact ND1-CE1 2.79Å; H68-H189 PolarHBondContact ND1-CE1 2.89Å; H68-H189 AromaticContact ND1-ND1 3Å; H68-H189 PolarHBondContact ND1-ND1 3.49Å; H68-H189 AromaticContact ND1-NE2 3.63Å |
| 69 | C | 86.1 | Confident | 89.8 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.007 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -24 | -174.1 | -66 | 0 | 0 | 0 | 0 | 114.3 | C183 E188 | C69-C183 HydrophobicContact CB-CB 3.32Å; C69-C183 WeakPolarHBondContact CB-SG 3.07Å; C69-C183 WeakPolarHBondContact SG-CB 3.21Å; C69-C183 CovalentContact SG-SG 2.03Å; C69-C183 PolarHBondContact SG-SG 3.34Å; C69-E188 PolarHBondContact N-O 2.99Å |
| 70 | K | 85.6 | Confident | 89.6 | Confident | 136 Ų | 136 | 68.6 Ų | 68.6 | 59% | 0.591 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 21.7 | -176.5 | -62.9 | 179.3 | -173.6 | 161.5 | 0 | 113 | H68 S72 E188 | H68-K70 PolarHBondContact O-N 2.84Å; K70-S72 PolarHBondContact O-N 3.12Å; K70-E188 IonicContact NZ-OE1 3.61Å; K70-E188 PolarHBondContact NZ-OE1 2.89Å |
| 71 | D | 90.4 | Very high | 89.3 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | trans | -75.9 | 106.6 | -179.7 | -171.7 | -11.5 | 0 | 0 | 0 | 111.8 | H68 S73 L74 M75 L172 | H68-D71 HydrophobicContact CB-CB 4.02Å; H68-D71 PolarHBondContact O-N 3.22Å; D71-S73 PolarHBondContact O-N 3.43Å; D71-S73 VanDerWaalsContact O-N 3.09Å; D71-S73 VanDerWaalsContact OD1-CB 3.27Å; D71-S73 WeakPolarHBondContact OD1-CB 3.29Å; D71-S73 PolarHBondContact OD1-N 3.39Å; D71-S73 PolarHBondContact OD1-OG 3.16Å; D71-S73 PolarHBondContact OD2-OG 2.92Å; D71-S73 VanDerWaalsContact OD2-OG 3.05Å; D71-L74 HydrophobicContact CB-CB 4.34Å; D71-L74 HydrophobicContact CB-CD1 4.15Å; D71-L74 HydrophobicContact CB-CG 4.29Å; D71-L74 PolarHBondContact O-N 3.26Å; D71-M75 WeakPolarHBondContact O-CG 3.35Å; D71-M75 PolarHBondContact O-N 3.07Å; D71-L172 HydrophobicContact CB-CD1 4.4Å | ||
| 72 | S | 91.2 | Very high | 88.9 | Confident | 87 Ų | 87 | 68.1 Ų | 68.1 | 61% | 0.608 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.3 | 177.8 | 70.4 | 0 | 0 | 0 | 0 | 114.6 | K70 K76 | K70-S72 PolarHBondContact O-N 3.12Å; S72-K76 PolarHBondContact O-NZ 3.4Å |
| 73 | S | 91.8 | Very high | 88.6 | Confident | 45 Ų | 45 | 70 Ų | 70 | 32% | 0.315 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -24.6 | 176 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | D71 P169 | D71-S73 PolarHBondContact O-N 3.43Å; D71-S73 VanDerWaalsContact O-N 3.09Å; D71-S73 VanDerWaalsContact OD1-CB 3.27Å; D71-S73 WeakPolarHBondContact OD1-CB 3.29Å; D71-S73 PolarHBondContact OD1-N 3.39Å; D71-S73 PolarHBondContact OD1-OG 3.16Å; D71-S73 PolarHBondContact OD2-OG 2.92Å; D71-S73 VanDerWaalsContact OD2-OG 3.05Å; S73-P169 WeakPolarHBondContact O-CA 3.46Å |
| 74 | L | 92.1 | Very high | 88.1 | Confident | 6 Ų | 6 | 66.5 Ų | 66.5 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -3.2 | -178.9 | -62.4 | 176.7 | 0 | 0 | 0 | 113.8 | D71 Q167 R168 P169 F171 L172 | D71-L74 HydrophobicContact CB-CB 4.34Å; D71-L74 HydrophobicContact CB-CD1 4.15Å; D71-L74 HydrophobicContact CB-CG 4.29Å; D71-L74 PolarHBondContact O-N 3.26Å; L74-Q167 HydrophobicContact CD1-CB 4.47Å; L74-Q167 HydrophobicContact CD2-CB 3.85Å; L74-R168 WeakPolarHBondContact CD2-O 3.28Å; L74-P169 CarbonylContact C-O 3.57Å; L74-P169 WeakPolarHBondContact CA-O 3.04Å; L74-F171 PolarHBondContact O-N 2.91Å; L74-L172 HydrophobicContact CB-CB 4.49Å; L74-L172 HydrophobicContact CB-CD1 3.62Å; L74-L172 HydrophobicContact CB-CG 3.77Å; L74-L172 WeakPolarHBondContact O-CB 3.25Å; L74-L172 PolarHBondContact O-N 3.06Å |
| 75 | M | 92.1 | Very high | 87.7 | Confident | 99 Ų | 99 | 71.7 Ų | 71.7 | 49% | 0.488 | 38% | 0.384 | S | S | . | . | trans | -96.2 | 27 | 178.1 | -64.1 | 176.9 | 73.5 | 0 | 0 | 113.3 | D71 L172 | D71-M75 WeakPolarHBondContact O-CG 3.35Å; D71-M75 PolarHBondContact O-N 3.07Å; M75-L172 HydrophobicContact CG-CB 4.02Å; M75-L172 HydrophobicContact CG-CD1 3.63Å; M75-L172 HydrophobicContact CG-CG 4.48Å | ||
| 76 | K | 93.5 | Very high | 87.6 | Confident | 69 Ų | 69 | 71.4 Ų | 71.4 | 30% | 0.3 | 39% | 0.387 | S | S | . | . | trans | -74.4 | 152.1 | 178.5 | -55.8 | -54 | -176.7 | -150.4 | 0 | 111.3 | S72 P169 Y170 T173 Y268 | S72-K76 PolarHBondContact O-NZ 3.4Å; K76-P169 HydrophobicContact CB-CB 4.14Å; K76-P169 VanDerWaalsContact CB-O 3.23Å; K76-P169 WeakPolarHBondContact CB-O 3.46Å; K76-P169 HydrophobicContact CG-CB 3.73Å; K76-P169 WeakPolarHBondContact CG-O 3.28Å; K76-P169 PolarHBondContact N-O 2.94Å; K76-Y170 WeakPolarHBondContact O-CA 3.36Å; K76-T173 WeakPolarHBondContact O-CB 3.48Å; K76-T173 PolarHBondContact O-OG1 2.98Å; K76-Y268 HydrophobicContact CB-CD1 4.04Å; K76-Y268 HydrophobicContact CB-CD2 3.85Å; K76-Y268 HydrophobicContact CB-CE2 4.49Å; K76-Y268 HydrophobicContact CB-CG 3.59Å; K76-Y268 HydrophobicContact CD-CD1 4.3Å; K76-Y268 HydrophobicContact CD-CE1 4.27Å; K76-Y268 HydrophobicContact CG-CD1 3.84Å; K76-Y268 HydrophobicContact CG-CD2 4.48Å; K76-Y268 HydrophobicContact CG-CE1 4.32Å; K76-Y268 HydrophobicContact CG-CG 3.94Å | ||
| 77 | P | 92.5 | Very high | 87.6 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 37% | 0.37 | 39% | 0.385 | S | S | . | . | trans | -65.7 | 138.5 | 178.7 | 26.4 | -34.8 | 0 | 0 | 0 | 111.5 | F79 Y268 | P77-F79 HydrophobicContact CB-CE1 4.2Å; P77-F79 HydrophobicContact CB-CE2 4.45Å; P77-F79 HydrophobicContact CB-CZ 4.13Å; P77-F79 HydrophobicContact CG-CD2 4.38Å; P77-F79 HydrophobicContact CG-CE1 4.06Å; P77-F79 HydrophobicContact CG-CE2 3.69Å; P77-F79 HydrophobicContact CG-CZ 3.48Å; P77-F79 VanDerWaalsContact CG-CZ 3.48Å; P77-F79 PolarHBondContact O-N 3.19Å; P77-Y268 HydrophobicContact CG-CD2 3.98Å; P77-Y268 HydrophobicContact CG-CE2 3.97Å | ||
| 78 | N | 89.3 | Confident | 87.7 | Confident | 59 Ų | 59 | 73.2 Ų | 73.2 | 32% | 0.316 | 39% | 0.39 | S | S | . | . | trans | -85.5 | 83.7 | 174.2 | -175.7 | 24.4 | 0 | 0 | 0 | 110.3 | Y170 K269 | N78-Y170 HydrophobicContact CB-CD2 4.02Å; N78-Y170 HydrophobicContact CB-CG 4.25Å; N78-K269 PolarHBondContact OD1-NZ 3.15Å | ||
| 79 | F | 88 | Confident | 88 | Confident | 81 Ų | 81 | 70.1 Ų | 70.1 | 36% | 0.355 | 38% | 0.379 | S | S | . | . | trans | -63.2 | 138.3 | 178.3 | -64.4 | -61.6 | 0 | 0 | 0 | 112.1 | P77 F84 Y268 | P77-F79 HydrophobicContact CB-CE1 4.2Å; P77-F79 HydrophobicContact CB-CE2 4.45Å; P77-F79 HydrophobicContact CB-CZ 4.13Å; P77-F79 HydrophobicContact CG-CD2 4.38Å; P77-F79 HydrophobicContact CG-CE1 4.06Å; P77-F79 HydrophobicContact CG-CE2 3.69Å; P77-F79 HydrophobicContact CG-CZ 3.48Å; P77-F79 VanDerWaalsContact CG-CZ 3.48Å; P77-F79 PolarHBondContact O-N 3.19Å; F79-F84 HydrophobicContact CB-CD2 4.48Å; F79-F84 HydrophobicContact CB-CE2 3.83Å; F79-F84 HydrophobicContact CB-CZ 4.13Å; F79-Y268 HydrophobicContact CD2-CD2 4.08Å; F79-Y268 AromaticContact CE2-CD2 3.62Å; F79-Y268 HydrophobicContact CE2-CD2 3.62Å; F79-Y268 AromaticContact CE2-CE2 3.64Å; F79-Y268 HydrophobicContact CE2-CE2 3.64Å; F79-Y268 HydrophobicContact CZ-CE2 4.39Å | ||
| 80 | L | 85.6 | Confident | 88.3 | Confident | 115 Ų | 115 | 72.1 Ų | 72.1 | 60% | 0.602 | 39% | 0.387 | S | S | * | . | trans | -75.4 | 150.8 | 170.5 | -76.8 | 81.1 | 0 | 0 | 0 | 109.5 | S82 S83 F84 | L80-S82 PolarHBondContact O-N 2.97Å; L80-S83 WeakPolarHBondContact O-CB 3.29Å; L80-S83 PolarHBondContact O-N 3.27Å; L80-F84 WeakPolarHBondContact O-CD2 3.37Å; L80-F84 WeakPolarHBondContact O-CE2 3.41Å | ||
| 81 | P | 82.2 | Confident | 88.7 | Confident | 79 Ų | 79 | 71.6 Ų | 71.6 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -50.8 | -29.8 | 179.3 | -29.2 | 36.1 | 0 | 0 | 0 | 115 | S83 F84 Y87 | P81-S83 VanDerWaalsContact C-N 3.31Å; P81-S83 PolarHBondContact O-N 3.46Å; P81-F84 WeakPolarHBondContact O-CD2 3.42Å; P81-Y87 HydrophobicContact CB-CD1 3.93Å; P81-Y87 HydrophobicContact CB-CE1 3.94Å; P81-Y87 HydrophobicContact CB-CG 4.44Å; P81-Y87 HydrophobicContact CG-CE1 4.18Å |
| 82 | S | 82.2 | Confident | 88.9 | Confident | 109 Ų | 109 | 72.5 Ų | 72.5 | 76% | 0.762 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -72.6 | -17.7 | 177.9 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | L80 | L80-S82 PolarHBondContact O-N 2.97Š|
| 83 | S | 83.2 | Confident | 89.2 | Confident | 80 Ų | 80 | 68.6 Ų | 68.6 | 56% | 0.559 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -90.5 | -2 | -179.4 | -51.3 | 0 | 0 | 0 | 0 | 113.3 | L80 P81 | L80-S83 WeakPolarHBondContact O-CB 3.29Å; L80-S83 PolarHBondContact O-N 3.27Å; P81-S83 VanDerWaalsContact C-N 3.31Å; P81-S83 PolarHBondContact O-N 3.46Å |
| 84 | F | 79.2 | Confident | 89.4 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 11% | 0.114 | 36% | 0.356 | C | S | . | . | trans | -86.8 | 140.6 | -179.8 | -70.9 | -106.1 | 0 | 0 | 0 | 110.8 | F79 L80 P81 Y87 | F79-F84 HydrophobicContact CB-CD2 4.48Å; F79-F84 HydrophobicContact CB-CE2 3.83Å; F79-F84 HydrophobicContact CB-CZ 4.13Å; L80-F84 WeakPolarHBondContact O-CD2 3.37Å; L80-F84 WeakPolarHBondContact O-CE2 3.41Å; P81-F84 WeakPolarHBondContact O-CD2 3.42Å; F84-Y87 AromaticContact CD1-CD2 3.87Å; F84-Y87 HydrophobicContact CD1-CD2 3.87Å; F84-Y87 HydrophobicContact CD1-CG 4.49Å; F84-Y87 HydrophobicContact CD2-CD2 4.03Å; F84-Y87 HydrophobicContact CD2-CG 4.35Å; F84-Y87 AromaticContact CE1-CD2 3.77Å; F84-Y87 HydrophobicContact CE1-CD2 3.77Å; F84-Y87 HydrophobicContact CE1-CE2 4.38Å; F84-Y87 HydrophobicContact CE2-CD2 4.03Å; F84-Y87 HydrophobicContact CE2-CE2 4.4Å; F84-Y87 AromaticContact CG-CD2 3.98Å; F84-Y87 HydrophobicContact CG-CD2 3.98Å; F84-Y87 HydrophobicContact CG-CG 4.25Å; F84-Y87 AromaticContact CZ-CD2 3.91Å; F84-Y87 HydrophobicContact CZ-CD2 3.91Å; F84-Y87 HydrophobicContact CZ-CE2 4.19Å | ||
| 85 | F | 79.9 | Confident | 89.6 | Confident | 179 Ų | 179 | 70.9 Ų | 70.9 | 79% | 0.785 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -66.2 | -48.2 | 167.4 | -176.8 | -106.5 | 0 | 0 | 0 | 110.8 | ||
| 86 | I | 87.6 | Confident | 89.8 | Confident | 70 Ų | 70 | 69 Ų | 69 | 36% | 0.359 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -132.9 | 115.1 | 174.5 | -65.2 | 162.3 | 0 | 0 | 0 | 107.8 | V88 I259 S263 | I86-V88 HydrophobicContact CG2-CG2 4.48Å; I86-I259 HydrophobicContact CG2-CG2 3.78Å; I86-S263 WeakPolarHBondContact O-CB 3.37Å |
| 87 | Y | 89.6 | Confident | 90 | Very high | 77 Ų | 77 | 66 Ų | 66 | 30% | 0.302 | 36% | 0.36 | S | S | . | . | trans | -118.5 | 116.6 | 175 | -179.9 | -108.7 | 0 | 0 | 0 | 110.5 | P81 F84 S89 F264 | P81-Y87 HydrophobicContact CB-CD1 3.93Å; P81-Y87 HydrophobicContact CB-CE1 3.94Å; P81-Y87 HydrophobicContact CB-CG 4.44Å; P81-Y87 HydrophobicContact CG-CE1 4.18Å; F84-Y87 AromaticContact CD1-CD2 3.87Å; F84-Y87 HydrophobicContact CD1-CD2 3.87Å; F84-Y87 HydrophobicContact CD1-CG 4.49Å; F84-Y87 HydrophobicContact CD2-CD2 4.03Å; F84-Y87 HydrophobicContact CD2-CG 4.35Å; F84-Y87 AromaticContact CE1-CD2 3.77Å; F84-Y87 HydrophobicContact CE1-CD2 3.77Å; F84-Y87 HydrophobicContact CE1-CE2 4.38Å; F84-Y87 HydrophobicContact CE2-CD2 4.03Å; F84-Y87 HydrophobicContact CE2-CE2 4.4Å; F84-Y87 AromaticContact CG-CD2 3.98Å; F84-Y87 HydrophobicContact CG-CD2 3.98Å; F84-Y87 HydrophobicContact CG-CG 4.25Å; F84-Y87 AromaticContact CZ-CD2 3.91Å; F84-Y87 HydrophobicContact CZ-CD2 3.91Å; F84-Y87 HydrophobicContact CZ-CE2 4.19Å; Y87-S89 PolarHBondContact O-N 2.79Å; Y87-F264 HydrophobicContact CD2-CE2 4.46Å; Y87-F264 AromaticContact CE2-CE2 3.83Å; Y87-F264 HydrophobicContact CE2-CE2 3.83Å; Y87-F264 HydrophobicContact CE2-CZ 4.34Å | ||
| 88 | V | 92.2 | Very high | 90.2 | Very high | 20 Ų | 20 | 64.5 Ų | 64.5 | 12% | 0.121 | 35% | 0.348 | C | S | . | . | trans | -94.1 | 97.9 | 173.2 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | I86 T92 L93 H218 A260 F264 | I86-V88 HydrophobicContact CG2-CG2 4.48Å; V88-T92 HydrophobicContact CG1-CG2 4.4Å; V88-L93 HydrophobicContact CG1-CB 4.23Å; V88-H218 PolarHBondContact O-NE2 2.69Å; V88-A260 HydrophobicContact CG1-CB 4.34Å; V88-A260 HydrophobicContact CG2-CB 4.43Å; V88-F264 VanDerWaalsContact O-CE2 3.25Å; V88-F264 WeakPolarHBondContact O-CE2 3.24Å | ||
| 89 | S | 93.2 | Very high | 90.5 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 21% | 0.21 | 36% | 0.359 | C | S | . | . | trans | -60.3 | 159.9 | 175.4 | 77.7 | 0 | 0 | 0 | 0 | 111.7 | Y87 E91 T92 L93 | Y87-S89 PolarHBondContact O-N 2.79Å; S89-E91 PolarHBondContact O-N 3.38Å; S89-T92 PolarHBondContact O-N 3.05Å; S89-T92 PolarHBondContact OG-N 3.43Å; S89-T92 PolarHBondContact OG-OG1 3.27Å; S89-L93 PolarHBondContact O-N 3.02Å | ||
| 90 | Y | 93.2 | Very high | 90.9 | Very high | 42 Ų | 42 | 64.7 Ų | 64.7 | 17% | 0.165 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 173.9 | -77.1 | -74.9 | 0 | 0 | 0 | 111.6 | R55 L93 Y94 R168 L217 H218 F264 | R55-Y90 VanDerWaalsContact NH2-CZ 3.27Å; Y90-L93 WeakPolarHBondContact O-CB 3.23Å; Y90-L93 PolarHBondContact O-N 3.01Å; Y90-Y94 WeakPolarHBondContact O-CD2 3.44Å; Y90-Y94 PolarHBondContact O-N 2.92Å; Y90-R168 PolarHBondContact OH-NH2 2.87Å; Y90-L217 HydrophobicContact CD1-CD2 4.39Å; Y90-L217 HydrophobicContact CE1-CD2 4.13Å; Y90-H218 AromaticContact CD1-CE1 3.55Å; Y90-H218 AromaticContact CE1-CE1 3.36Å; Y90-H218 WeakPolarHBondContact CE1-CE1 3.23Å; Y90-H218 AromaticContact CE1-ND1 3.68Å; Y90-H218 AromaticContact CZ-CE1 3.78Å; Y90-F264 HydrophobicContact CE2-CE1 4.11Å; Y90-F264 HydrophobicContact CE2-CZ 4.01Å; Y90-F264 AromaticContact CZ-CE1 3.87Å |
| 91 | E | 94.3 | Very high | 91.4 | Very high | 125 Ų | 125 | 59.3 Ų | 59.3 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | 177.1 | -53 | -50.3 | 151.7 | 0 | 0 | 111.8 | S89 L93 Y94 C95 | S89-E91 PolarHBondContact O-N 3.38Å; E91-L93 VanDerWaalsContact C-N 3.31Å; E91-L93 PolarHBondContact O-N 3.43Å; E91-Y94 PolarHBondContact O-N 2.75Å; E91-C95 WeakPolarHBondContact O-CB 3.48Å; E91-C95 PolarHBondContact O-N 2.9Å; E91-C95 PolarHBondContact O-SG 2.99Å |
| 92 | T | 94.9 | Very high | 92.1 | Very high | 68 Ų | 68 | 56.6 Ų | 56.6 | 42% | 0.417 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 176.5 | -49.9 | 0 | 0 | 0 | 0 | 111.1 | V88 S89 V96 | V88-T92 HydrophobicContact CG1-CG2 4.4Å; S89-T92 PolarHBondContact O-N 3.05Å; S89-T92 PolarHBondContact OG-N 3.43Å; S89-T92 PolarHBondContact OG-OG1 3.27Å; T92-V96 HydrophobicContact CG2-CG2 4.2Å; T92-V96 VanDerWaalsContact O-CB 3.31Å; T92-V96 WeakPolarHBondContact O-CB 3.15Å; T92-V96 VanDerWaalsContact O-CG2 3.23Å; T92-V96 WeakPolarHBondContact O-CG2 3.1Å; T92-V96 PolarHBondContact O-N 2.69Å |
| 93 | L | 96.5 | Very high | 92.7 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.9 | -50.1 | 177 | 178.8 | 74.5 | 0 | 0 | 0 | 111.1 | V88 S89 Y90 E91 S97 H218 L221 A260 | V88-L93 HydrophobicContact CG1-CB 4.23Å; S89-L93 PolarHBondContact O-N 3.02Å; Y90-L93 WeakPolarHBondContact O-CB 3.23Å; Y90-L93 PolarHBondContact O-N 3.01Å; E91-L93 VanDerWaalsContact C-N 3.31Å; E91-L93 PolarHBondContact O-N 3.43Å; L93-S97 WeakPolarHBondContact O-CB 3.33Å; L93-S97 PolarHBondContact O-N 2.98Å; L93-S97 PolarHBondContact O-OG 2.91Å; L93-H218 HydrophobicContact CD2-CB 4.35Å; L93-L221 HydrophobicContact CD2-CD2 4.17Å; L93-L221 HydrophobicContact CG-CD2 4.15Å; L93-A260 HydrophobicContact CD1-CB 4.39Å |
| 94 | Y | 96.2 | Very high | 93.2 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.1 | -47.6 | -179.4 | -67.2 | -50.9 | 0 | 0 | 0 | 111.7 | F51 R55 Y90 E91 V96 S97 F98 L217 L221 | F51-Y94 AromaticContact CZ-CE1 3.79Å; F51-Y94 HydrophobicContact CZ-CE1 3.79Å; F51-Y94 AromaticContact CZ-CZ 3.83Å; R55-Y94 PolarHBondContact NE-OH 2.9Å; Y90-Y94 WeakPolarHBondContact O-CD2 3.44Å; Y90-Y94 PolarHBondContact O-N 2.92Å; E91-Y94 PolarHBondContact O-N 2.75Å; Y94-V96 PolarHBondContact O-N 2.85Å; Y94-S97 PolarHBondContact O-N 3.43Å; Y94-F98 HydrophobicContact CD1-CD2 4.3Å; Y94-F98 AromaticContact CD1-CE2 3.88Å; Y94-F98 HydrophobicContact CD1-CE2 3.88Å; Y94-F98 WeakPolarHBondContact O-CB 3.48Å; Y94-F98 WeakPolarHBondContact O-CD2 3.21Å; Y94-F98 PolarHBondContact O-N 3.2Å; Y94-L217 HydrophobicContact CE1-CD2 4.37Å; Y94-L217 WeakPolarHBondContact OH-CD2 3.22Å; Y94-L221 HydrophobicContact CD1-CD2 3.7Å; Y94-L221 HydrophobicContact CE1-CD2 3.89Å |
| 95 | C | 96.6 | Very high | 93.9 | Very high | 75 Ų | 75 | 53.2 Ų | 53.2 | 51% | 0.507 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.8 | -50.4 | 177.6 | -69.3 | 0 | 0 | 0 | 0 | 111.2 | E91 V99 | E91-C95 WeakPolarHBondContact O-CB 3.48Å; E91-C95 PolarHBondContact O-N 2.9Å; E91-C95 PolarHBondContact O-SG 2.99Å; C95-V99 WeakPolarHBondContact O-CB 3.33Å; C95-V99 WeakPolarHBondContact O-CG2 3.38Å; C95-V99 PolarHBondContact O-N 3.31Å |
| 96 | V | 96.4 | Very high | 94.5 | Very high | 58 Ų | 58 | 48 Ų | 48 | 35% | 0.352 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.6 | -46 | -179.4 | 173.4 | 0 | 0 | 0 | 0 | 111 | T92 Y94 F98 V100 | T92-V96 HydrophobicContact CG2-CG2 4.2Å; T92-V96 VanDerWaalsContact O-CB 3.31Å; T92-V96 WeakPolarHBondContact O-CB 3.15Å; T92-V96 VanDerWaalsContact O-CG2 3.23Å; T92-V96 WeakPolarHBondContact O-CG2 3.1Å; T92-V96 PolarHBondContact O-N 2.69Å; Y94-V96 PolarHBondContact O-N 2.85Å; V96-F98 PolarHBondContact O-N 3.09Å; V96-V100 HydrophobicContact CG1-CG2 3.97Å; V96-V100 VanDerWaalsContact O-CB 3.24Å; V96-V100 WeakPolarHBondContact O-CB 3.22Å; V96-V100 WeakPolarHBondContact O-CG2 3.4Å; V96-V100 PolarHBondContact O-N 3.35Å |
| 97 | S | 96.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.6 | -33.4 | -175.5 | -54.5 | 0 | 0 | 0 | 0 | 113.1 | L93 Y94 P101 F146 | L93-S97 WeakPolarHBondContact O-CB 3.33Å; L93-S97 PolarHBondContact O-N 2.98Å; L93-S97 PolarHBondContact O-OG 2.91Å; Y94-S97 PolarHBondContact O-N 3.43Å; S97-P101 WeakPolarHBondContact O-CD 3.36Å; S97-P101 VanDerWaalsContact O-CG 3.3Å; S97-P101 WeakPolarHBondContact O-CG 3.15Å; S97-F146 WeakPolarHBondContact O-CZ 3.16Å |
| 98 | F | 96.5 | Very high | 94.6 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -93.6 | -19.5 | -179.7 | -74.8 | -70.9 | 0 | 0 | 0 | 114 | W48 Y94 V96 P102 M147 A150 L221 | W48-F98 HydrophobicContact CH2-CZ 4.5Å; W48-F98 HydrophobicContact CZ2-CE1 4.32Å; W48-F98 HydrophobicContact CZ2-CZ 4.42Å; Y94-F98 HydrophobicContact CD1-CD2 4.3Å; Y94-F98 AromaticContact CD1-CE2 3.88Å; Y94-F98 HydrophobicContact CD1-CE2 3.88Å; Y94-F98 WeakPolarHBondContact O-CB 3.48Å; Y94-F98 WeakPolarHBondContact O-CD2 3.21Å; Y94-F98 PolarHBondContact O-N 3.2Å; V96-F98 PolarHBondContact O-N 3.09Å; F98-P102 WeakPolarHBondContact O-CD 3.21Å; F98-P102 WeakPolarHBondContact O-CG 3.23Å; F98-M147 HydrophobicContact CD1-CE 3.44Å; F98-M147 VanDerWaalsContact CD1-CE 3.44Å; F98-M147 HydrophobicContact CD1-SD 3.62Å; F98-M147 HydrophobicContact CE1-CE 3.66Å; F98-M147 HydrophobicContact CE1-SD 4.11Å; F98-M147 HydrophobicContact CG-CE 4.48Å; F98-A150 HydrophobicContact CD1-CB 4.39Å; F98-A150 HydrophobicContact CE1-CB 3.58Å; F98-A150 HydrophobicContact CZ-CB 4.03Å; F98-L221 HydrophobicContact CE2-CD2 4.42Å |
| 99 | V | 96.8 | Very high | 94.4 | Very high | 92 Ų | 92 | 44.4 Ų | 44.4 | 56% | 0.558 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -98.2 | -44.7 | -179.7 | 179.2 | 0 | 0 | 0 | 0 | 112 | C95 P102 F103 | C95-V99 WeakPolarHBondContact O-CB 3.33Å; C95-V99 WeakPolarHBondContact O-CG2 3.38Å; C95-V99 PolarHBondContact O-N 3.31Å; V99-P102 WeakPolarHBondContact O-CD 3.48Å; V99-F103 WeakPolarHBondContact O-CB 3.29Å; V99-F103 PolarHBondContact O-N 3.44Å |
| 100 | V | 96.4 | Very high | 94.1 | Very high | 51 Ų | 51 | 46.1 Ų | 46.1 | 31% | 0.309 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.4 | -48.6 | -173.2 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | V96 F103 V104 F253 | V96-V100 HydrophobicContact CG1-CG2 3.97Å; V96-V100 VanDerWaalsContact O-CB 3.24Å; V96-V100 WeakPolarHBondContact O-CB 3.22Å; V96-V100 WeakPolarHBondContact O-CG2 3.4Å; V96-V100 PolarHBondContact O-N 3.35Å; V100-F103 PolarHBondContact O-N 3.03Å; V100-V104 HydrophobicContact CG1-CG2 4.21Å; V100-V104 VanDerWaalsContact O-CG2 3.29Å; V100-V104 WeakPolarHBondContact O-CG2 3.39Å; V100-V104 PolarHBondContact O-N 3.46Å; V100-F253 HydrophobicContact CG1-CD1 4.49Å; V100-F253 HydrophobicContact CG1-CE1 3.76Å |
| 101 | P | 96.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.019 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63 | -48.4 | -179.9 | -23.4 | 36.7 | 0 | 0 | 0 | 113.5 | S97 F103 V104 I105 F146 A225 T229 | S97-P101 WeakPolarHBondContact O-CD 3.36Å; S97-P101 VanDerWaalsContact O-CG 3.3Å; S97-P101 WeakPolarHBondContact O-CG 3.15Å; P101-F103 VanDerWaalsContact C-N 3.27Å; P101-F103 PolarHBondContact O-N 3.24Å; P101-V104 PolarHBondContact O-N 3.46Å; P101-I105 WeakPolarHBondContact O-CD1 3.41Å; P101-I105 VanDerWaalsContact O-CG1 3.23Å; P101-I105 WeakPolarHBondContact O-CG1 3.32Å; P101-I105 PolarHBondContact O-N 2.79Å; P101-F146 HydrophobicContact CB-CD1 4.22Å; P101-F146 HydrophobicContact CB-CD2 4.07Å; P101-F146 HydrophobicContact CB-CE1 3.8Å; P101-F146 HydrophobicContact CB-CE2 3.62Å; P101-F146 HydrophobicContact CB-CG 4.35Å; P101-F146 HydrophobicContact CB-CZ 3.51Å; P101-F146 HydrophobicContact CG-CE1 4.05Å; P101-F146 HydrophobicContact CG-CE2 3.82Å; P101-F146 HydrophobicContact CG-CZ 3.45Å; P101-F146 VanDerWaalsContact CG-CZ 3.45Å; P101-A225 HydrophobicContact CG-CB 4.03Å; P101-T229 WeakPolarHBondContact CB-OG1 3.34Å; P101-T229 VanDerWaalsContact CG-OG1 3.32Å; P101-T229 WeakPolarHBondContact CG-OG1 3.24Å |
| 102 | P | 95.8 | Very high | 92.8 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 14% | 0.136 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.5 | -34.4 | 174.4 | -28.9 | 40.7 | 0 | 0 | 0 | 113.8 | F98 V99 I105 L106 I143 F146 | F98-P102 WeakPolarHBondContact O-CD 3.21Å; F98-P102 WeakPolarHBondContact O-CG 3.23Å; V99-P102 WeakPolarHBondContact O-CD 3.48Å; P102-I105 PolarHBondContact O-N 3.11Å; P102-L106 WeakPolarHBondContact O-CB 3.34Å; P102-L106 PolarHBondContact O-N 3.25Å; P102-I143 HydrophobicContact CB-CD1 4.28Å; P102-I143 HydrophobicContact CB-CG1 4.21Å; P102-F146 HydrophobicContact CG-CD1 3.98Å; P102-F146 HydrophobicContact CG-CE1 4.14Å |
| 103 | F | 95.7 | Very high | 92 | Very high | 119 Ų | 119 | 47.8 Ų | 47.8 | 52% | 0.522 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.2 | -42.3 | 175.4 | -174.8 | -107.4 | 0 | 0 | 0 | 112.3 | V99 V100 P101 I105 L106 I107 | V99-F103 WeakPolarHBondContact O-CB 3.29Å; V99-F103 PolarHBondContact O-N 3.44Å; V100-F103 PolarHBondContact O-N 3.03Å; P101-F103 VanDerWaalsContact C-N 3.27Å; P101-F103 PolarHBondContact O-N 3.24Å; F103-I105 VanDerWaalsContact C-N 3.34Å; F103-L106 WeakPolarHBondContact O-CB 3.33Å; F103-L106 PolarHBondContact O-N 3.43Å; F103-I107 HydrophobicContact CD1-CD1 3.76Å; F103-I107 HydrophobicContact CE1-CD1 3.28Å; F103-I107 HydrophobicContact CE1-CG1 4.33Å; F103-I107 HydrophobicContact CE2-CD1 4.35Å; F103-I107 HydrophobicContact CG-CD1 4.48Å; F103-I107 HydrophobicContact CZ-CD1 3.63Å; F103-I107 HydrophobicContact CZ-CG1 4.35Å; F103-I107 WeakPolarHBondContact O-CG1 2.99Å; F103-I107 PolarHBondContact O-N 3.17Å |
| 104 | V | 94.2 | Very high | 91.2 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 174.1 | 173.2 | 0 | 0 | 0 | 0 | 111 | V100 P101 I107 G108 T229 Y232 V233 F253 | V100-V104 HydrophobicContact CG1-CG2 4.21Å; V100-V104 VanDerWaalsContact O-CG2 3.29Å; V100-V104 WeakPolarHBondContact O-CG2 3.39Å; V100-V104 PolarHBondContact O-N 3.46Å; P101-V104 PolarHBondContact O-N 3.46Å; V104-I107 PolarHBondContact O-N 2.96Å; V104-G108 PolarHBondContact O-N 3.13Å; V104-T229 HydrophobicContact CB-CG2 3.94Å; V104-T229 HydrophobicContact CG1-CG2 3.75Å; V104-T229 HydrophobicContact CG2-CG2 4.04Å; V104-Y232 HydrophobicContact CG1-CD1 4.33Å; V104-V233 HydrophobicContact CG1-CG2 3.73Å; V104-F253 HydrophobicContact CG2-CE1 4.33Å; V104-F253 HydrophobicContact CG2-CZ 3.76Å |
| 105 | I | 92.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 174.5 | -65 | 162 | 0 | 0 | 0 | 110.4 | P101 P102 F103 I107 G108 E109 L139 F142 I143 F146 F228 Y232 | P101-I105 WeakPolarHBondContact O-CD1 3.41Å; P101-I105 VanDerWaalsContact O-CG1 3.23Å; P101-I105 WeakPolarHBondContact O-CG1 3.32Å; P101-I105 PolarHBondContact O-N 2.79Å; P102-I105 PolarHBondContact O-N 3.11Å; F103-I105 VanDerWaalsContact C-N 3.34Å; I105-I107 PolarHBondContact O-N 2.97Å; I105-G108 PolarHBondContact O-N 2.83Å; I105-E109 HydrophobicContact CG2-CG 4.34Å; I105-E109 WeakPolarHBondContact O-CG 3.11Å; I105-E109 PolarHBondContact O-N 3.38Å; I105-L139 HydrophobicContact CG2-CD1 3.97Å; I105-F142 HydrophobicContact CD1-CB 4.24Å; I105-F142 HydrophobicContact CG2-CB 3.61Å; I105-F142 HydrophobicContact CG2-CG 4.36Å; I105-I143 HydrophobicContact CG2-CG1 4.32Å; I105-F146 HydrophobicContact CD1-CB 4.46Å; I105-F228 HydrophobicContact CD1-CE1 4.17Å; I105-Y232 HydrophobicContact CB-CE1 4.27Å; I105-Y232 HydrophobicContact CB-CE2 4.46Å; I105-Y232 HydrophobicContact CG1-CD1 4.07Å; I105-Y232 HydrophobicContact CG1-CD2 4.12Å; I105-Y232 HydrophobicContact CG1-CE1 4.06Å; I105-Y232 HydrophobicContact CG1-CE2 4.09Å; I105-Y232 HydrophobicContact CG1-CG 4.11Å; I105-Y232 HydrophobicContact CG2-CE2 4.1Å; I105-Y232 PolarHBondContact O-OH 2.95Å |
| 106 | L | 93.5 | Very high | 88.8 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 37% | 0.366 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58 | -47.2 | 177.3 | 179.2 | 67.6 | 0 | 0 | 0 | 111.8 | P102 F103 E109 L110 F135 L139 | P102-L106 WeakPolarHBondContact O-CB 3.34Å; P102-L106 PolarHBondContact O-N 3.25Å; F103-L106 WeakPolarHBondContact O-CB 3.33Å; F103-L106 PolarHBondContact O-N 3.43Å; L106-E109 PolarHBondContact O-N 3.26Å; L106-L110 VanDerWaalsContact O-CB 3.23Å; L106-L110 WeakPolarHBondContact O-CB 3.37Å; L106-L110 PolarHBondContact O-N 3.35Å; L106-F135 HydrophobicContact CD1-CZ 4.14Å; L106-L139 HydrophobicContact CB-CD1 4.22Å; L106-L139 HydrophobicContact CD1-CD1 4.04Å; L106-L139 HydrophobicContact CD1-CD2 3.69Å |
| 107 | I | 91.8 | Very high | 86.8 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 176.6 | -69.5 | 171.5 | 0 | 0 | 0 | 110.6 | F103 V104 I105 E109 L110 M111 | F103-I107 HydrophobicContact CD1-CD1 3.76Å; F103-I107 HydrophobicContact CE1-CD1 3.28Å; F103-I107 HydrophobicContact CE1-CG1 4.33Å; F103-I107 HydrophobicContact CE2-CD1 4.35Å; F103-I107 HydrophobicContact CG-CD1 4.48Å; F103-I107 HydrophobicContact CZ-CD1 3.63Å; F103-I107 HydrophobicContact CZ-CG1 4.35Å; F103-I107 WeakPolarHBondContact O-CG1 2.99Å; F103-I107 PolarHBondContact O-N 3.17Å; V104-I107 PolarHBondContact O-N 2.96Å; I105-I107 PolarHBondContact O-N 2.97Å; I107-E109 PolarHBondContact O-N 3.39Å; I107-L110 PolarHBondContact O-N 3.45Å; I107-M111 HydrophobicContact CG2-CG 4.12Å; I107-M111 WeakPolarHBondContact O-CB 3.4Å; I107-M111 VanDerWaalsContact O-CG 3.23Å; I107-M111 WeakPolarHBondContact O-CG 3.32Å; I107-M111 PolarHBondContact O-N 3.01Å |
| 108 | G | 87.9 | Confident | 84.9 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.6 | -47.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V104 I105 F112 | V104-G108 PolarHBondContact O-N 3.13Å; I105-G108 PolarHBondContact O-N 2.83Å; G108-F112 WeakPolarHBondContact O-CB 3.45Å; G108-F112 PolarHBondContact O-N 2.93Å |
| 109 | E | 87.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.009 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 177.1 | -66.9 | -51.8 | 147.9 | 0 | 0 | 112.8 | I105 L106 I107 F112 W113 F135 R138 L139 F142 Y232 | I105-E109 HydrophobicContact CG2-CG 4.34Å; I105-E109 WeakPolarHBondContact O-CG 3.11Å; I105-E109 PolarHBondContact O-N 3.38Å; L106-E109 PolarHBondContact O-N 3.26Å; I107-E109 PolarHBondContact O-N 3.39Å; E109-F112 PolarHBondContact O-N 3.31Å; E109-W113 VanDerWaalsContact O-CB 3.27Å; E109-W113 WeakPolarHBondContact O-CB 3.26Å; E109-W113 PolarHBondContact O-N 2.91Å; E109-F135 HydrophobicContact CB-CD2 3.94Å; E109-F135 HydrophobicContact CB-CE2 3.58Å; E109-R138 VanDerWaalsContact OE1-CD 3.28Å; E109-R138 WeakPolarHBondContact OE1-CD 3.21Å; E109-R138 WeakPolarHBondContact OE2-CD 3.3Å; E109-R138 IonicContact OE2-NH1 3.98Å; E109-L139 HydrophobicContact CB-CD1 4.5Å; E109-L139 HydrophobicContact CG-CB 4.45Å; E109-L139 HydrophobicContact CG-CD1 4.29Å; E109-F142 WeakPolarHBondContact OE1-CD2 3.33Å; E109-F142 WeakPolarHBondContact OE1-CE2 3.31Å; E109-Y232 PolarHBondContact N-OH 2.83Å; E109-Y232 PolarHBondContact OE1-OH 3.34Å |
| 110 | L | 86.8 | Confident | 80.8 | Confident | 67 Ų | 67 | 73.7 Ų | 73.7 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.6 | -43 | 177.6 | -179.5 | 63.5 | 0 | 0 | 0 | 110.9 | L106 I107 W113 L114 F135 | L106-L110 VanDerWaalsContact O-CB 3.23Å; L106-L110 WeakPolarHBondContact O-CB 3.37Å; L106-L110 PolarHBondContact O-N 3.35Å; I107-L110 PolarHBondContact O-N 3.45Å; L110-W113 HydrophobicContact CD1-CE3 4.04Å; L110-W113 PolarHBondContact O-N 3.32Å; L110-L114 HydrophobicContact CD1-CD1 4.36Å; L110-L114 HydrophobicContact CD1-CG 4.4Å; L110-L114 HydrophobicContact CG-CD1 4.17Å; L110-L114 WeakPolarHBondContact O-CG 3.48Å; L110-L114 PolarHBondContact O-N 3.04Å; L110-F135 HydrophobicContact CB-CE2 4.48Å |
| 111 | M | 82.8 | Confident | 78.6 | Confident | 75 Ų | 75 | 79.2 Ų | 79.2 | 37% | 0.369 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 174.5 | -69.7 | -62.5 | 100.8 | 0 | 0 | 110.9 | I107 W113 L114 F115 | I107-M111 HydrophobicContact CG2-CG 4.12Å; I107-M111 WeakPolarHBondContact O-CB 3.4Å; I107-M111 VanDerWaalsContact O-CG 3.23Å; I107-M111 WeakPolarHBondContact O-CG 3.32Å; I107-M111 PolarHBondContact O-N 3.01Å; M111-W113 VanDerWaalsContact C-N 3.27Å; M111-W113 PolarHBondContact O-N 3.3Å; M111-L114 HydrophobicContact CE-CD1 3.75Å; M111-L114 PolarHBondContact O-N 3.43Å; M111-F115 HydrophobicContact CB-CD2 4.47Å; M111-F115 WeakPolarHBondContact O-CD2 3.11Å; M111-F115 PolarHBondContact O-N 3.09Å; M111-F115 HydrophobicContact SD-CD2 4.26Å; M111-F115 HydrophobicContact SD-CE2 3.72Å |
| 112 | F | 78.1 | Confident | 76.4 | Confident | 86 Ų | 86 | 82 Ų | 82 | 38% | 0.377 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60 | -39.7 | 173.9 | -177.7 | -97.2 | 0 | 0 | 0 | 111.6 | G108 E109 S116 | G108-F112 WeakPolarHBondContact O-CB 3.45Å; G108-F112 PolarHBondContact O-N 2.93Å; E109-F112 PolarHBondContact O-N 3.31Å; F112-S116 WeakPolarHBondContact O-CB 3.21Å; F112-S116 PolarHBondContact O-N 2.95Å |
| 113 | W | 76.5 | Confident | 74.4 | Confident | 109 Ų | 109 | 82.9 Ų | 82.9 | 41% | 0.413 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 176.6 | -178.4 | 87.4 | 0 | 0 | 0 | 112.9 | E109 L110 M111 R120 F135 | E109-W113 VanDerWaalsContact O-CB 3.27Å; E109-W113 WeakPolarHBondContact O-CB 3.26Å; E109-W113 PolarHBondContact O-N 2.91Å; L110-W113 HydrophobicContact CD1-CE3 4.04Å; L110-W113 PolarHBondContact O-N 3.32Å; M111-W113 VanDerWaalsContact C-N 3.27Å; M111-W113 PolarHBondContact O-N 3.3Å; W113-R120 VanDerWaalsContact CD1-CZ 3.47Å; W113-R120 VanDerWaalsContact CD1-NH1 3.27Å; W113-R120 PolarHBondContact O-NH2 3.44Å; W113-F135 HydrophobicContact CB-CD2 4.04Å; W113-F135 HydrophobicContact CG-CD2 4.37Å |
| 114 | L | 81 | Confident | 72.3 | Confident | 99 Ų | 99 | 79.5 Ų | 79.5 | 52% | 0.518 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -74 | -41.1 | 179.7 | -72.6 | 172.5 | 0 | 0 | 0 | 112.8 | L110 M111 | L110-L114 HydrophobicContact CD1-CD1 4.36Å; L110-L114 HydrophobicContact CD1-CG 4.4Å; L110-L114 HydrophobicContact CG-CD1 4.17Å; L110-L114 WeakPolarHBondContact O-CG 3.48Å; L110-L114 PolarHBondContact O-N 3.04Å; M111-L114 HydrophobicContact CE-CD1 3.75Å; M111-L114 PolarHBondContact O-N 3.43Å |
| 115 | F | 73.7 | Confident | 70.2 | Confident | 161 Ų | 161 | 79 Ų | 79 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -95.3 | -13.4 | -172.8 | -69.3 | -72.2 | 0 | 0 | 0 | 114.7 | M111 T117 | M111-F115 HydrophobicContact CB-CD2 4.47Å; M111-F115 WeakPolarHBondContact O-CD2 3.11Å; M111-F115 PolarHBondContact O-N 3.09Å; M111-F115 HydrophobicContact SD-CD2 4.26Å; M111-F115 HydrophobicContact SD-CE2 3.72Å; F115-T117 PolarHBondContact O-N 2.87Å |
| 116 | S | 67.3 | Low | 68 | Low | 30 Ų | 30 | 82.3 Ų | 82.3 | 21% | 0.21 | 41% | 0.413 | C | S | . | . | trans | -82.7 | 103.9 | 177.8 | -170.1 | 0 | 0 | 0 | 0 | 111.1 | F112 K118 | F112-S116 WeakPolarHBondContact O-CB 3.21Å; F112-S116 PolarHBondContact O-N 2.95Å; S116-K118 PolarHBondContact O-N 3.29Å | ||
| 117 | T | 54.6 | Low | 65.6 | Low | 141 Ų | 141 | 83.8 Ų | 83.8 | 87% | 0.865 | 43% | 0.429 | S | S | * | . | trans | -81.2 | 3.7 | 173.9 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | F115 | F115-T117 PolarHBondContact O-N 2.87Š| ||
| 118 | K | 57.3 | Low | 63.7 | Low | 154 Ų | 154 | 90.2 Ų | 90.2 | 67% | 0.67 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -75.1 | 141.7 | -177.5 | -65.5 | -170.5 | 178.6 | -172.7 | 0 | 111.8 | S116 R120 | S116-K118 PolarHBondContact O-N 3.29Å; K118-R120 PolarHBondContact O-N 3.21Å |
| 119 | P | 50.6 | Low | 62.2 | Low | 132 Ų | 132 | 98.1 Ų | 98.1 | 86% | 0.857 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 127.9 | -180 | 24.6 | -33.6 | 0 | 0 | 0 | 110.9 | ||
| 120 | R | 56.3 | Low | 60.7 | Low | 114 Ų | 114 | 107.6 Ų | 107.6 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -91.1 | 120.7 | -172.8 | -62.6 | 175.8 | -179.2 | 171 | -4.9 | 110.2 | W113 K118 T122 | W113-R120 VanDerWaalsContact CD1-CZ 3.47Å; W113-R120 VanDerWaalsContact CD1-NH1 3.27Å; W113-R120 PolarHBondContact O-NH2 3.44Å; K118-R120 PolarHBondContact O-N 3.21Å; R120-T122 PolarHBondContact O-N 2.65Å |
| 121 | K | 51 | Low | 59.5 | Low | 167 Ų | 167 | 110.4 Ų | 110.4 | 73% | 0.726 | 53% | 0.527 | S | S | * | . | trans | -70.2 | 111.2 | 165.8 | -69.7 | -175.8 | -179.7 | 178.7 | 0 | 108.6 | ||||
| 122 | T | 50.6 | Low | 58.7 | Low | 60 Ų | 60 | 109.4 Ų | 109.4 | 37% | 0.368 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 120.8 | 168.8 | 52.8 | 0 | 0 | 0 | 0 | 108.9 | R120 | R120-T122 PolarHBondContact O-N 2.65Š|
| 123 | V | 53.1 | Low | 58.5 | Low | 41 Ų | 41 | 111.1 Ų | 111.1 | 25% | 0.248 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 132.3 | 173.7 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | I33 | I33-V123 HydrophobicContact CD1-CG1 4.36Å |
| 124 | Y | 51.3 | Low | 58.3 | Low | 47 Ų | 47 | 107.5 Ų | 107.5 | 18% | 0.184 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127 | 177.1 | -65.1 | -98.5 | 0 | 0 | 0 | 108.6 | Y27 K131 | Y27-Y124 AromaticContact CD1-CD2 3.45Å; Y27-Y124 HydrophobicContact CD1-CD2 3.45Å; Y27-Y124 VanDerWaalsContact CD1-CD2 3.45Å; Y27-Y124 AromaticContact CD1-CE2 3.38Å; Y27-Y124 HydrophobicContact CD1-CE2 3.38Å; Y27-Y124 HydrophobicContact CD2-CD2 4.17Å; Y27-Y124 HydrophobicContact CD2-CE2 4.03Å; Y27-Y124 AromaticContact CE1-CD2 3.89Å; Y27-Y124 HydrophobicContact CE1-CD2 3.89Å; Y27-Y124 AromaticContact CE1-CE2 3.28Å; Y27-Y124 HydrophobicContact CE1-CE2 3.28Å; Y27-Y124 AromaticContact CE2-CE2 3.93Å; Y27-Y124 HydrophobicContact CE2-CE2 3.93Å; Y27-Y124 AromaticContact CG-CD2 3.6Å; Y27-Y124 HydrophobicContact CG-CD2 3.6Å; Y27-Y124 AromaticContact CG-CE2 3.75Å; Y27-Y124 HydrophobicContact CG-CE2 3.75Å; Y27-Y124 AromaticContact CZ-CE2 3.55Å; Y124-K131 HydrophobicContact CD1-CG 3.97Å; Y124-K131 HydrophobicContact CE1-CD 4.15Å; Y124-K131 HydrophobicContact CE1-CG 3.43Å; Y124-K131 VanDerWaalsContact CE1-CG 3.43Å; Y124-K131 WeakPolarHBondContact OH-CE 3.23Å |
| 125 | A | 50.5 | Low | 58.3 | Low | 14 Ų | 14 | 105.4 Ų | 105.4 | 12% | 0.116 | 51% | 0.509 | C | S | . | . | trans | -97.3 | 113.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V132 | A125-V132 HydrophobicContact CB-CG2 3.81Š| ||
| 126 | N | 45.3 | Very low | 58.7 | Low | 71 Ų | 71 | 100.2 Ų | 100.2 | 38% | 0.38 | 49% | 0.493 | S | S | . | . | S | Bend | trans | 54.7 | 166.9 | 176.5 | -148.6 | 1.2 | 0 | 0 | 0 | 116.6 | Y31 V34 R128 | Y31-N126 WeakPolarHBondContact CD1-OD1 3.34Å; Y31-N126 VanDerWaalsContact CE1-OD1 3.25Å; Y31-N126 WeakPolarHBondContact CE1-OD1 3.11Å; V34-N126 HydrophobicContact CG2-CB 4.4Å; N126-R128 VanDerWaalsContact C-N 3.32Å; N126-R128 PolarHBondContact O-N 3.05Å |
| 127 | C | 43.2 | Very low | 59.4 | Low | 102 Ų | 102 | 101.1 Ų | 101.1 | 69% | 0.689 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -70.4 | 68.1 | -165 | -147 | 0 | 0 | 0 | 0 | 114.2 | ||
| 128 | R | 52 | Low | 60.8 | Low | 210 Ų | 210 | 95.5 Ų | 95.5 | 79% | 0.792 | 46% | 0.455 | S | S | * | . | S | Bend | trans | 175.4 | 121.7 | 164.5 | -121.5 | 173.3 | 167.2 | 179.5 | -3.6 | 106.9 | N126 W130 | N126-R128 VanDerWaalsContact C-N 3.32Å; N126-R128 PolarHBondContact O-N 3.05Å; R128-W130 PolarHBondContact O-N 3.42Å |
| 129 | E | 57.4 | Low | 62.4 | Low | 178 Ų | 178 | 89.5 Ų | 89.5 | 83% | 0.832 | 43% | 0.43 | S | S | * | . | trans | -0.1 | 15.2 | 170.2 | -55.8 | -173.1 | 162 | 0 | 0 | 123.9 | K131 | E129-K131 PolarHBondContact O-N 2.85Š| ||
| 130 | W | 55.5 | Low | 64.2 | Low | 201 Ų | 201 | 86.6 Ų | 86.6 | 76% | 0.761 | 41% | 0.406 | S | S | * | . | trans | -84.1 | 92.2 | -175.8 | -72.5 | 42.2 | 0 | 0 | 0 | 108.7 | R128 V132 | R128-W130 PolarHBondContact O-N 3.42Å; W130-V132 PolarHBondContact O-N 3.3Å; W130-V132 VanDerWaalsContact O-N 3.09Å | ||
| 131 | K | 61.1 | Low | 65.7 | Low | 126 Ų | 126 | 85.5 Ų | 85.5 | 55% | 0.548 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 98.6 | 172.2 | -68.7 | 174.4 | -176.6 | 172.9 | 0 | 108.7 | Y124 E129 H133 | Y124-K131 HydrophobicContact CD1-CG 3.97Å; Y124-K131 HydrophobicContact CE1-CD 4.15Å; Y124-K131 HydrophobicContact CE1-CG 3.43Å; Y124-K131 VanDerWaalsContact CE1-CG 3.43Å; Y124-K131 WeakPolarHBondContact OH-CE 3.23Å; E129-K131 PolarHBondContact O-N 2.85Å; K131-H133 PolarHBondContact O-N 3.29Å |
| 132 | V | 65.9 | Low | 67.6 | Low | 54 Ų | 54 | 78.1 Ų | 78.1 | 33% | 0.327 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 111.5 | 170.4 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | A125 W130 L134 R137 | A125-V132 HydrophobicContact CB-CG2 3.81Å; W130-V132 PolarHBondContact O-N 3.3Å; W130-V132 VanDerWaalsContact O-N 3.09Å; V132-L134 PolarHBondContact O-N 2.84Å; V132-R137 HydrophobicContact CG1-CB 4.1Å |
| 133 | H | 73.6 | Confident | 69.6 | Low | 123 Ų | 123 | 77.5 Ų | 77.5 | 57% | 0.569 | 36% | 0.364 | S | S | * | . | trans | -60.2 | 136.3 | 175.9 | -74.4 | -75.1 | 0 | 0 | 0 | 110.4 | K131 F135 S136 R137 | K131-H133 PolarHBondContact O-N 3.29Å; H133-F135 PolarHBondContact O-N 2.82Å; H133-F135 VanDerWaalsContact O-N 3.12Å; H133-S136 PolarHBondContact O-N 3.35Å; H133-S136 VanDerWaalsContact O-N 3.12Å; H133-S136 PolarHBondContact O-OG 2.93Å; H133-R137 PolarHBondContact O-N 3.43Å; H133-R137 VanDerWaalsContact O-N 3.16Å | ||
| 134 | L | 73.7 | Confident | 71.5 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 17% | 0.173 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.6 | -34.2 | 178.5 | -178.8 | 61.9 | 0 | 0 | 0 | 112.2 | V132 R137 R138 | V132-L134 PolarHBondContact O-N 2.84Å; L134-R137 VanDerWaalsContact CD1-NH2 3.27Å; L134-R138 WeakPolarHBondContact O-CB 3.1Å; L134-R138 PolarHBondContact O-N 3.47Å |
| 135 | F | 80.4 | Confident | 73.5 | Confident | 55 Ų | 55 | 75.5 Ų | 75.5 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.3 | -56.3 | 174.9 | 172.2 | -100 | 0 | 0 | 0 | 112.1 | L106 E109 L110 W113 H133 R137 R138 L139 | L106-F135 HydrophobicContact CD1-CZ 4.14Å; E109-F135 HydrophobicContact CB-CD2 3.94Å; E109-F135 HydrophobicContact CB-CE2 3.58Å; L110-F135 HydrophobicContact CB-CE2 4.48Å; W113-F135 HydrophobicContact CB-CD2 4.04Å; W113-F135 HydrophobicContact CG-CD2 4.37Å; H133-F135 PolarHBondContact O-N 2.82Å; H133-F135 VanDerWaalsContact O-N 3.12Å; F135-R137 VanDerWaalsContact C-N 3.32Å; F135-R137 PolarHBondContact O-N 2.89Å; F135-R138 PolarHBondContact O-N 3.07Å; F135-L139 HydrophobicContact CE1-CD2 3.98Å; F135-L139 HydrophobicContact CZ-CD2 3.96Å; F135-L139 VanDerWaalsContact O-CB 3.28Å; F135-L139 WeakPolarHBondContact O-CB 3.18Å; F135-L139 PolarHBondContact O-N 3.24Å |
| 136 | S | 83.1 | Confident | 75.7 | Confident | 52 Ų | 52 | 74.9 Ų | 74.9 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | -177.2 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | H133 R138 L140 | H133-S136 PolarHBondContact O-N 3.35Å; H133-S136 VanDerWaalsContact O-N 3.12Å; H133-S136 PolarHBondContact O-OG 2.93Å; S136-R138 VanDerWaalsContact C-N 3.34Å; S136-R138 PolarHBondContact O-N 3.3Å; S136-L140 WeakPolarHBondContact O-CB 3.31Å; S136-L140 PolarHBondContact O-N 2.93Å |
| 137 | R | 81.8 | Confident | 78.1 | Confident | 48 Ų | 48 | 73 Ų | 73 | 18% | 0.181 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 175.7 | -172.9 | 178.8 | 75.1 | 165.5 | 11.6 | 112.3 | V132 H133 L134 F135 R141 E298 | V132-R137 HydrophobicContact CG1-CB 4.1Å; H133-R137 PolarHBondContact O-N 3.43Å; H133-R137 VanDerWaalsContact O-N 3.16Å; L134-R137 VanDerWaalsContact CD1-NH2 3.27Å; F135-R137 VanDerWaalsContact C-N 3.32Å; F135-R137 PolarHBondContact O-N 2.89Å; R137-R141 WeakPolarHBondContact O-CB 3.35Å; R137-R141 PolarHBondContact O-N 3.43Å; R137-R141 VanDerWaalsContact O-N 3.11Å; R137-E298 IonicContact NH2-OE1 3.59Å; R137-E298 PolarHBondContact NH2-OE1 3.42Å; R137-E298 VanDerWaalsContact NH2-OE1 3.16Å; R137-E298 IonicContact NH2-OE2 3.93Å |
| 138 | R | 84 | Confident | 80.6 | Confident | 24 Ų | 24 | 72.2 Ų | 72.2 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74.4 | -45.5 | -177.1 | -175.6 | 178.7 | -79 | 179.2 | 5.3 | 111.4 | E109 L134 F135 S136 L140 R141 F142 | E109-R138 VanDerWaalsContact OE1-CD 3.28Å; E109-R138 WeakPolarHBondContact OE1-CD 3.21Å; E109-R138 WeakPolarHBondContact OE2-CD 3.3Å; E109-R138 IonicContact OE2-NH1 3.98Å; L134-R138 WeakPolarHBondContact O-CB 3.1Å; L134-R138 PolarHBondContact O-N 3.47Å; F135-R138 PolarHBondContact O-N 3.07Å; S136-R138 VanDerWaalsContact C-N 3.34Å; S136-R138 PolarHBondContact O-N 3.3Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.45Å; R138-R141 PolarHBondContact O-N 3.43Å; R138-F142 HydrophobicContact CG-CD2 3.65Å; R138-F142 HydrophobicContact CG-CE2 3.37Å; R138-F142 WeakPolarHBondContact O-CD2 3.49Å; R138-F142 PolarHBondContact O-N 3.22Å |
| 139 | L | 89.2 | Confident | 82.7 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.8 | -51.6 | 175.1 | 180 | 64.6 | 0 | 0 | 0 | 111 | I105 L106 E109 F135 R141 F142 I143 | I105-L139 HydrophobicContact CG2-CD1 3.97Å; L106-L139 HydrophobicContact CB-CD1 4.22Å; L106-L139 HydrophobicContact CD1-CD1 4.04Å; L106-L139 HydrophobicContact CD1-CD2 3.69Å; E109-L139 HydrophobicContact CB-CD1 4.5Å; E109-L139 HydrophobicContact CG-CB 4.45Å; E109-L139 HydrophobicContact CG-CD1 4.29Å; F135-L139 HydrophobicContact CE1-CD2 3.98Å; F135-L139 HydrophobicContact CZ-CD2 3.96Å; F135-L139 VanDerWaalsContact O-CB 3.28Å; F135-L139 WeakPolarHBondContact O-CB 3.18Å; F135-L139 PolarHBondContact O-N 3.24Å; L139-R141 PolarHBondContact O-N 3.28Å; L139-F142 PolarHBondContact O-N 2.86Å; L139-I143 HydrophobicContact CD1-CD1 3.66Å; L139-I143 HydrophobicContact CD1-CG1 4.28Å; L139-I143 HydrophobicContact CG-CD1 3.84Å; L139-I143 WeakPolarHBondContact O-CB 3.47Å; L139-I143 WeakPolarHBondContact O-CG1 3.32Å; L139-I143 PolarHBondContact O-N 3.38Å |
| 140 | L | 88.7 | Confident | 84.7 | Confident | 71 Ų | 71 | 53.8 Ų | 53.8 | 37% | 0.372 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 178.7 | 179.5 | 62.1 | 0 | 0 | 0 | 111.7 | F37 S136 R138 F142 I143 S144 | F37-L140 HydrophobicContact CD2-CD2 3.65Å; F37-L140 HydrophobicContact CE2-CD1 4.1Å; F37-L140 HydrophobicContact CE2-CD2 3.21Å; F37-L140 HydrophobicContact CE2-CG 4.09Å; F37-L140 HydrophobicContact CZ-CD2 4.08Å; S136-L140 WeakPolarHBondContact O-CB 3.31Å; S136-L140 PolarHBondContact O-N 2.93Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.45Å; L140-F142 PolarHBondContact O-N 3.01Å; L140-I143 PolarHBondContact O-N 3.08Å; L140-S144 WeakPolarHBondContact O-CB 3.36Å; L140-S144 PolarHBondContact O-N 2.94Å; L140-S144 PolarHBondContact O-OG 2.87Å |
| 141 | R | 88.3 | Confident | 86.7 | Confident | 92 Ų | 92 | 44.2 Ų | 44.2 | 35% | 0.347 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.6 | -50.3 | 176.9 | -177.6 | -172.6 | -62.1 | 179.7 | -3.1 | 112.1 | R137 R138 L139 V145 | R137-R141 WeakPolarHBondContact O-CB 3.35Å; R137-R141 PolarHBondContact O-N 3.43Å; R137-R141 VanDerWaalsContact O-N 3.11Å; R138-R141 PolarHBondContact O-N 3.43Å; L139-R141 PolarHBondContact O-N 3.28Å; R141-V145 WeakPolarHBondContact O-CG2 3.4Å; R141-V145 PolarHBondContact O-N 2.84Å; R141-V145 VanDerWaalsContact O-N 3.08Å |
| 142 | F | 90.8 | Very high | 88.4 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | -178.6 | -77.6 | -66.7 | 0 | 0 | 0 | 112 | I105 E109 R138 L139 L140 F146 Y232 M236 V293 | I105-F142 HydrophobicContact CD1-CB 4.24Å; I105-F142 HydrophobicContact CG2-CB 3.61Å; I105-F142 HydrophobicContact CG2-CG 4.36Å; E109-F142 WeakPolarHBondContact OE1-CD2 3.33Å; E109-F142 WeakPolarHBondContact OE1-CE2 3.31Å; R138-F142 HydrophobicContact CG-CD2 3.65Å; R138-F142 HydrophobicContact CG-CE2 3.37Å; R138-F142 WeakPolarHBondContact O-CD2 3.49Å; R138-F142 PolarHBondContact O-N 3.22Å; L139-F142 PolarHBondContact O-N 2.86Å; L140-F142 PolarHBondContact O-N 3.01Å; F142-F146 VanDerWaalsContact O-CB 3.31Å; F142-F146 WeakPolarHBondContact O-CB 3.41Å; F142-F146 PolarHBondContact O-N 3.04Å; F142-Y232 HydrophobicContact CD1-CD2 4.01Å; F142-Y232 HydrophobicContact CD1-CE2 4.03Å; F142-Y232 AromaticContact CD2-CE2 3.97Å; F142-Y232 HydrophobicContact CD2-CE2 3.97Å; F142-Y232 HydrophobicContact CE1-CD2 4.09Å; F142-Y232 HydrophobicContact CE1-CE2 4.12Å; F142-Y232 HydrophobicContact CE2-CE2 4.07Å; F142-Y232 HydrophobicContact CG-CD2 4.38Å; F142-Y232 AromaticContact CG-CE2 3.97Å; F142-Y232 HydrophobicContact CG-CE2 3.97Å; F142-Y232 HydrophobicContact CZ-CE2 4.17Å; F142-M236 HydrophobicContact CE1-CE 4.41Å; F142-M236 HydrophobicContact CE2-CE 3.53Å; F142-M236 HydrophobicContact CZ-CE 3.39Å; F142-V293 HydrophobicContact CD1-CG1 3.6Å; F142-V293 HydrophobicContact CE1-CG1 3.29Å; F142-V293 HydrophobicContact CZ-CG1 4.21Å |
| 143 | I | 93.4 | Very high | 89.9 | Confident | 46 Ų | 46 | 37.8 Ų | 37.8 | 24% | 0.236 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65 | -47.8 | 177.3 | -66.8 | 175.6 | 0 | 0 | 0 | 110.4 | P102 I105 L139 L140 V145 F146 M147 | P102-I143 HydrophobicContact CB-CD1 4.28Å; P102-I143 HydrophobicContact CB-CG1 4.21Å; I105-I143 HydrophobicContact CG2-CG1 4.32Å; L139-I143 HydrophobicContact CD1-CD1 3.66Å; L139-I143 HydrophobicContact CD1-CG1 4.28Å; L139-I143 HydrophobicContact CG-CD1 3.84Å; L139-I143 WeakPolarHBondContact O-CB 3.47Å; L139-I143 WeakPolarHBondContact O-CG1 3.32Å; L139-I143 PolarHBondContact O-N 3.38Å; L140-I143 PolarHBondContact O-N 3.08Å; I143-V145 VanDerWaalsContact C-N 3.34Å; I143-V145 PolarHBondContact O-N 2.89Å; I143-F146 WeakPolarHBondContact O-CB 3.47Å; I143-F146 PolarHBondContact O-N 2.93Å; I143-M147 HydrophobicContact CG2-CG 4.03Å; I143-M147 WeakPolarHBondContact O-CB 3.23Å; I143-M147 VanDerWaalsContact O-CG 3.23Å; I143-M147 WeakPolarHBondContact O-CG 3.46Å; I143-M147 PolarHBondContact O-N 3.49Å |
| 144 | S | 92.7 | Very high | 91.1 | Very high | 13 Ų | 13 | 31.9 Ų | 31.9 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.2 | -45 | 179.9 | -68.1 | 0 | 0 | 0 | 0 | 112 | L140 M147 F148 | L140-S144 WeakPolarHBondContact O-CB 3.36Å; L140-S144 PolarHBondContact O-N 2.94Å; L140-S144 PolarHBondContact O-OG 2.87Å; S144-M147 PolarHBondContact O-N 3.21Å; S144-F148 VanDerWaalsContact O-CB 3.27Å; S144-F148 WeakPolarHBondContact O-CB 3.27Å; S144-F148 PolarHBondContact O-N 3.48Å |
| 145 | V | 93.6 | Very high | 92.2 | Very high | 34 Ų | 34 | 31.1 Ų | 31.1 | 21% | 0.206 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69 | -38.2 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | R141 I143 F148 G149 L289 V293 | R141-V145 WeakPolarHBondContact O-CG2 3.4Å; R141-V145 PolarHBondContact O-N 2.84Å; R141-V145 VanDerWaalsContact O-N 3.08Å; I143-V145 VanDerWaalsContact C-N 3.34Å; I143-V145 PolarHBondContact O-N 2.89Å; V145-F148 PolarHBondContact O-N 3.34Å; V145-G149 PolarHBondContact O-N 3.43Å; V145-L289 HydrophobicContact CG1-CB 4.18Å; V145-L289 HydrophobicContact CG1-CD1 4.46Å; V145-L289 HydrophobicContact CG1-CD2 4.13Å; V145-L289 HydrophobicContact CG1-CG 4.5Å; V145-V293 HydrophobicContact CB-CG2 3.82Å; V145-V293 HydrophobicContact CG1-CG2 3.39Å; V145-V293 HydrophobicContact CG2-CG2 3.85Å |
| 146 | F | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -49.9 | 173.4 | 174.3 | -101.7 | 0 | 0 | 0 | 111.7 | S97 P101 P102 I105 F142 I143 F148 G149 A150 Y224 A225 F228 | S97-F146 WeakPolarHBondContact O-CZ 3.16Å; P101-F146 HydrophobicContact CB-CD1 4.22Å; P101-F146 HydrophobicContact CB-CD2 4.07Å; P101-F146 HydrophobicContact CB-CE1 3.8Å; P101-F146 HydrophobicContact CB-CE2 3.62Å; P101-F146 HydrophobicContact CB-CG 4.35Å; P101-F146 HydrophobicContact CB-CZ 3.51Å; P101-F146 HydrophobicContact CG-CE1 4.05Å; P101-F146 HydrophobicContact CG-CE2 3.82Å; P101-F146 HydrophobicContact CG-CZ 3.45Å; P101-F146 VanDerWaalsContact CG-CZ 3.45Å; P102-F146 HydrophobicContact CG-CD1 3.98Å; P102-F146 HydrophobicContact CG-CE1 4.14Å; I105-F146 HydrophobicContact CD1-CB 4.46Å; F142-F146 VanDerWaalsContact O-CB 3.31Å; F142-F146 WeakPolarHBondContact O-CB 3.41Å; F142-F146 PolarHBondContact O-N 3.04Å; I143-F146 WeakPolarHBondContact O-CB 3.47Å; I143-F146 PolarHBondContact O-N 2.93Å; F146-F148 VanDerWaalsContact C-N 3.35Å; F146-F148 PolarHBondContact O-N 3.44Å; F146-G149 PolarHBondContact O-N 2.87Å; F146-A150 HydrophobicContact CZ-CB 4.49Å; F146-A150 WeakPolarHBondContact O-CB 3.32Å; F146-A150 PolarHBondContact O-N 2.97Å; F146-Y224 WeakPolarHBondContact CA-OH 3.32Å; F146-Y224 AromaticContact CD2-CE1 3.73Å; F146-Y224 HydrophobicContact CD2-CE1 3.73Å; F146-Y224 HydrophobicContact CE2-CD1 4.06Å; F146-Y224 AromaticContact CE2-CE1 3.46Å; F146-Y224 HydrophobicContact CE2-CE1 3.46Å; F146-Y224 VanDerWaalsContact CE2-CE1 3.46Å; F146-Y224 HydrophobicContact CZ-CE1 4.18Å; F146-Y224 PolarHBondContact O-OH 3.31Å; F146-A225 HydrophobicContact CE2-CB 4.41Å; F146-A225 HydrophobicContact CZ-CB 4.33Å; F146-F228 HydrophobicContact CB-CD1 4.29Å; F146-F228 HydrophobicContact CB-CE1 3.78Å; F146-F228 HydrophobicContact CB-CZ 3.96Å; F146-F228 HydrophobicContact CD2-CB 4.25Å; F146-F228 AromaticContact CD2-CD1 3.48Å; F146-F228 HydrophobicContact CD2-CD1 3.48Å; F146-F228 VanDerWaalsContact CD2-CD1 3.48Å; F146-F228 HydrophobicContact CD2-CD2 4.43Å; F146-F228 AromaticContact CD2-CE1 3.87Å; F146-F228 HydrophobicContact CD2-CE1 3.87Å; F146-F228 AromaticContact CD2-CG 3.8Å; F146-F228 HydrophobicContact CD2-CG 3.8Å; F146-F228 HydrophobicContact CD2-CZ 4.48Å; F146-F228 HydrophobicContact CE2-CB 4.42Å; F146-F228 HydrophobicContact CE2-CD1 4.3Å; F146-F228 HydrophobicContact CE2-CG 4.45Å; F146-F228 HydrophobicContact CG-CD1 4.28Å; F146-F228 HydrophobicContact CG-CE1 4.24Å |
| 147 | M | 96.4 | Very high | 93.7 | Very high | 33 Ų | 33 | 31.8 Ų | 31.8 | 16% | 0.163 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 179.8 | -67 | -57.8 | -66 | 0 | 0 | 111.4 | L44 W48 F98 I143 S144 G149 A150 L151 | L44-M147 HydrophobicContact CD2-CB 4.21Å; W48-M147 HydrophobicContact CZ2-CE 3.83Å; F98-M147 HydrophobicContact CD1-CE 3.44Å; F98-M147 VanDerWaalsContact CD1-CE 3.44Å; F98-M147 HydrophobicContact CD1-SD 3.62Å; F98-M147 HydrophobicContact CE1-CE 3.66Å; F98-M147 HydrophobicContact CE1-SD 4.11Å; F98-M147 HydrophobicContact CG-CE 4.48Å; I143-M147 HydrophobicContact CG2-CG 4.03Å; I143-M147 WeakPolarHBondContact O-CB 3.23Å; I143-M147 VanDerWaalsContact O-CG 3.23Å; I143-M147 WeakPolarHBondContact O-CG 3.46Å; I143-M147 PolarHBondContact O-N 3.49Å; S144-M147 PolarHBondContact O-N 3.21Å; M147-G149 PolarHBondContact O-N 3.01Å; M147-A150 PolarHBondContact O-N 3.43Å; M147-L151 WeakPolarHBondContact O-CB 3.45Å; M147-L151 WeakPolarHBondContact O-CD1 3.32Å; M147-L151 VanDerWaalsContact O-CG 3.25Å; M147-L151 WeakPolarHBondContact O-CG 3.39Å; M147-L151 PolarHBondContact O-N 3.16Å |
| 148 | F | 96 | Very high | 94.4 | Very high | 84 Ų | 84 | 29.7 Ų | 29.7 | 37% | 0.368 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -56.3 | -51.4 | 175.1 | 175.1 | -97.3 | 0 | 0 | 0 | 111.1 | L44 L47 S144 V145 F146 L151 I152 L289 | L44-F148 HydrophobicContact CD2-CB 3.87Å; L47-F148 HydrophobicContact CD1-CD2 3.4Å; L47-F148 VanDerWaalsContact CD1-CD2 3.4Å; L47-F148 HydrophobicContact CD1-CE2 3.57Å; L47-F148 HydrophobicContact CD1-CG 4.44Å; S144-F148 VanDerWaalsContact O-CB 3.27Å; S144-F148 WeakPolarHBondContact O-CB 3.27Å; S144-F148 PolarHBondContact O-N 3.48Å; V145-F148 PolarHBondContact O-N 3.34Å; F146-F148 VanDerWaalsContact C-N 3.35Å; F146-F148 PolarHBondContact O-N 3.44Å; F148-L151 PolarHBondContact O-N 2.8Å; F148-I152 HydrophobicContact CD1-CG1 4.32Å; F148-I152 HydrophobicContact CD2-CG1 4.42Å; F148-I152 HydrophobicContact CE1-CG1 4Å; F148-I152 HydrophobicContact CE2-CD1 4.31Å; F148-I152 HydrophobicContact CE2-CG1 4.11Å; F148-I152 HydrophobicContact CZ-CD1 4.18Å; F148-I152 HydrophobicContact CZ-CG1 3.88Å; F148-I152 WeakPolarHBondContact O-CB 3.29Å; F148-I152 WeakPolarHBondContact O-CG1 3.12Å; F148-I152 PolarHBondContact O-N 3.2Å; F148-L289 HydrophobicContact CD1-CD2 4.4Å |
| 149 | G | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V145 F146 M147 L151 I152 V153 Y224 | V145-G149 PolarHBondContact O-N 3.43Å; F146-G149 PolarHBondContact O-N 2.87Å; M147-G149 PolarHBondContact O-N 3.01Å; G149-L151 VanDerWaalsContact C-N 3.34Å; G149-L151 PolarHBondContact O-N 3.37Å; G149-I152 PolarHBondContact O-N 3.49Å; G149-V153 WeakPolarHBondContact O-CG2 3.37Å; G149-V153 PolarHBondContact O-N 3.46Å; G149-Y224 WeakPolarHBondContact CA-OH 3.43Å |
| 150 | A | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | F98 F146 M147 V153 C154 L221 Y224 | F98-A150 HydrophobicContact CD1-CB 4.39Å; F98-A150 HydrophobicContact CE1-CB 3.58Å; F98-A150 HydrophobicContact CZ-CB 4.03Å; F146-A150 HydrophobicContact CZ-CB 4.49Å; F146-A150 WeakPolarHBondContact O-CB 3.32Å; F146-A150 PolarHBondContact O-N 2.97Å; M147-A150 PolarHBondContact O-N 3.43Å; A150-V153 PolarHBondContact O-N 3.31Å; A150-C154 PolarHBondContact O-N 3.46Å; A150-C154 PolarHBondContact O-SG 2.91Å; A150-L221 HydrophobicContact CB-CD1 4.17Å; A150-Y224 HydrophobicContact CB-CD1 4.06Å; A150-Y224 HydrophobicContact CB-CE1 3.71Å; A150-Y224 VanDerWaalsContact N-CE1 3.26Å |
| 151 | L | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 177.9 | -69.9 | 166.7 | 0 | 0 | 0 | 111.9 | L44 L47 W48 F51 M147 F148 G149 V153 C154 I155 | L44-L151 HydrophobicContact CD2-CD1 4.15Å; L47-L151 HydrophobicContact CB-CB 4.15Å; L47-L151 HydrophobicContact CB-CD1 3.91Å; W48-L151 VanDerWaalsContact CD1-CD1 3.4Å; W48-L151 HydrophobicContact CD2-CD2 3.76Å; W48-L151 HydrophobicContact CE3-CD2 4.26Å; W48-L151 HydrophobicContact CG-CD1 4.01Å; W48-L151 HydrophobicContact CG-CD2 3.94Å; W48-L151 HydrophobicContact CZ2-CD2 4.3Å; F51-L151 HydrophobicContact CB-CD2 4.23Å; F51-L151 HydrophobicContact CD1-CD2 4.25Å; F51-L151 HydrophobicContact CG-CD2 4.38Å; M147-L151 WeakPolarHBondContact O-CB 3.45Å; M147-L151 WeakPolarHBondContact O-CD1 3.32Å; M147-L151 VanDerWaalsContact O-CG 3.25Å; M147-L151 WeakPolarHBondContact O-CG 3.39Å; M147-L151 PolarHBondContact O-N 3.16Å; F148-L151 PolarHBondContact O-N 2.8Å; G149-L151 VanDerWaalsContact C-N 3.34Å; G149-L151 PolarHBondContact O-N 3.37Å; L151-V153 VanDerWaalsContact C-N 3.34Å; L151-V153 PolarHBondContact O-N 2.96Å; L151-C154 PolarHBondContact O-N 3.5Å; L151-I155 WeakPolarHBondContact O-CB 3.33Å; L151-I155 WeakPolarHBondContact O-CD1 3.39Å; L151-I155 VanDerWaalsContact O-CG1 3.23Å; L151-I155 WeakPolarHBondContact O-CG1 3.27Å; L151-I155 PolarHBondContact O-N 2.98Å |
| 152 | I | 97.2 | Very high | 96 | Very high | 44 Ų | 44 | 25.2 Ų | 25.2 | 23% | 0.226 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.6 | -45.6 | 177.3 | -71 | -68.5 | 0 | 0 | 0 | 110.7 | L47 F148 G149 C154 I155 F156 | L47-I152 HydrophobicContact CD1-CD1 4.1Å; L47-I152 HydrophobicContact CD1-CG1 4.25Å; L47-I152 HydrophobicContact CD2-CD1 3.71Å; F148-I152 HydrophobicContact CD1-CG1 4.32Å; F148-I152 HydrophobicContact CD2-CG1 4.42Å; F148-I152 HydrophobicContact CE1-CG1 4Å; F148-I152 HydrophobicContact CE2-CD1 4.31Å; F148-I152 HydrophobicContact CE2-CG1 4.11Å; F148-I152 HydrophobicContact CZ-CD1 4.18Å; F148-I152 HydrophobicContact CZ-CG1 3.88Å; F148-I152 WeakPolarHBondContact O-CB 3.29Å; F148-I152 WeakPolarHBondContact O-CG1 3.12Å; F148-I152 PolarHBondContact O-N 3.2Å; G149-I152 PolarHBondContact O-N 3.49Å; I152-C154 PolarHBondContact O-N 3.17Å; I152-I155 PolarHBondContact O-N 3.07Å; I152-F156 HydrophobicContact CG2-CD2 3.45Å; I152-F156 VanDerWaalsContact CG2-CD2 3.45Å; I152-F156 HydrophobicContact CG2-CE2 3.35Å; I152-F156 WeakPolarHBondContact O-CB 3.32Å; I152-F156 WeakPolarHBondContact O-CD2 3.17Å; I152-F156 PolarHBondContact O-N 3.49Å |
| 153 | V | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.4 | -46.5 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | G149 A150 L151 F156 V157 A220 Y224 I281 A285 | G149-V153 WeakPolarHBondContact O-CG2 3.37Å; G149-V153 PolarHBondContact O-N 3.46Å; A150-V153 PolarHBondContact O-N 3.31Å; L151-V153 VanDerWaalsContact C-N 3.34Å; L151-V153 PolarHBondContact O-N 2.96Å; V153-F156 PolarHBondContact O-N 3.26Å; V153-V157 VanDerWaalsContact O-CG2 3.28Å; V153-V157 WeakPolarHBondContact O-CG2 3.42Å; V153-V157 PolarHBondContact O-N 3Å; V153-A220 HydrophobicContact CG1-CB 3.78Å; V153-Y224 HydrophobicContact CG2-CD2 4.05Å; V153-Y224 HydrophobicContact CG2-CG 4.15Å; V153-I281 HydrophobicContact CG1-CG2 4.48Å; V153-A285 HydrophobicContact CG2-CB 3.47Å; V153-A285 VanDerWaalsContact CG2-CB 3.47Å |
| 154 | C | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 176.7 | -71.8 | 0 | 0 | 0 | 0 | 112.1 | F51 A150 L151 I152 V157 D158 L217 | F51-C154 HydrophobicContact CD2-CB 3.53Å; F51-C154 HydrophobicContact CE2-CB 3.57Å; F51-C154 HydrophobicContact CG-CB 4.4Å; F51-C154 HydrophobicContact CZ-CB 4.46Å; A150-C154 PolarHBondContact O-N 3.46Å; A150-C154 PolarHBondContact O-SG 2.91Å; L151-C154 PolarHBondContact O-N 3.5Å; I152-C154 PolarHBondContact O-N 3.17Å; C154-V157 PolarHBondContact O-N 3.33Å; C154-D158 WeakPolarHBondContact O-CB 3.19Å; C154-D158 PolarHBondContact O-N 2.87Å; C154-L217 HydrophobicContact CB-CD1 4.44Å |
| 155 | I | 97.4 | Very high | 96.1 | Very high | 17 Ų | 17 | 29.4 Ų | 29.4 | 9% | 0.087 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.9 | -49.5 | 179.1 | -70.1 | 160.3 | 0 | 0 | 0 | 110.3 | L47 L50 F51 L54 L151 I152 V157 D158 T159 | L47-I155 HydrophobicContact CB-CD1 4.2Å; L47-I155 HydrophobicContact CD2-CD1 3.64Å; L50-I155 HydrophobicContact CB-CD1 4.38Å; L50-I155 HydrophobicContact CD2-CD1 4.08Å; L50-I155 HydrophobicContact CD2-CG1 4.49Å; L50-I155 HydrophobicContact CD2-CG2 4.07Å; L50-I155 HydrophobicContact CG-CD1 4.28Å; L50-I155 HydrophobicContact CG-CG1 4.39Å; L50-I155 HydrophobicContact CG-CG2 4.47Å; F51-I155 HydrophobicContact CB-CG1 4.06Å; L54-I155 HydrophobicContact CD1-CB 4.41Å; L54-I155 HydrophobicContact CD1-CG1 4.39Å; L54-I155 HydrophobicContact CD1-CG2 3.86Å; L151-I155 WeakPolarHBondContact O-CB 3.33Å; L151-I155 WeakPolarHBondContact O-CD1 3.39Å; L151-I155 VanDerWaalsContact O-CG1 3.23Å; L151-I155 WeakPolarHBondContact O-CG1 3.27Å; L151-I155 PolarHBondContact O-N 2.98Å; I152-I155 PolarHBondContact O-N 3.07Å; I155-V157 VanDerWaalsContact C-N 3.33Å; I155-V157 PolarHBondContact O-N 3.47Å; I155-D158 PolarHBondContact O-N 3.49Å; I155-T159 WeakPolarHBondContact O-CB 3.47Å; I155-T159 PolarHBondContact O-N 2.68Å; I155-T159 PolarHBondContact O-OG1 3.45Å |
| 156 | F | 97.2 | Very high | 96.2 | Very high | 120 Ų | 120 | 31.8 Ų | 31.8 | 53% | 0.526 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 177.8 | -86.7 | -65.3 | 0 | 0 | 0 | 112 | I152 V153 T159 I160 | I152-F156 HydrophobicContact CG2-CD2 3.45Å; I152-F156 VanDerWaalsContact CG2-CD2 3.45Å; I152-F156 HydrophobicContact CG2-CE2 3.35Å; I152-F156 WeakPolarHBondContact O-CB 3.32Å; I152-F156 WeakPolarHBondContact O-CD2 3.17Å; I152-F156 PolarHBondContact O-N 3.49Å; V153-F156 PolarHBondContact O-N 3.26Å; F156-T159 PolarHBondContact O-N 3.44Å; F156-I160 WeakPolarHBondContact O-CD1 3.24Å; F156-I160 WeakPolarHBondContact O-CG1 3.47Å; F156-I160 PolarHBondContact O-N 3.33Å |
| 157 | V | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.3 | -48.2 | 179.2 | 169 | 0 | 0 | 0 | 0 | 111.4 | V153 C154 I155 I160 K161 P215 L217 A220 | V153-V157 VanDerWaalsContact O-CG2 3.28Å; V153-V157 WeakPolarHBondContact O-CG2 3.42Å; V153-V157 PolarHBondContact O-N 3Å; C154-V157 PolarHBondContact O-N 3.33Å; I155-V157 VanDerWaalsContact C-N 3.33Å; I155-V157 PolarHBondContact O-N 3.47Å; V157-I160 PolarHBondContact O-N 2.87Å; V157-K161 HydrophobicContact CG1-CD 4.13Å; V157-K161 HydrophobicContact CG1-CG 4.5Å; V157-K161 WeakPolarHBondContact O-CB 3.47Å; V157-K161 VanDerWaalsContact O-CG 3.31Å; V157-K161 WeakPolarHBondContact O-CG 3.15Å; V157-K161 PolarHBondContact O-N 2.91Å; V157-P215 HydrophobicContact CB-CG 4.4Å; V157-P215 HydrophobicContact CG1-CG 4.09Å; V157-P215 HydrophobicContact CG2-CG 4.15Å; V157-L217 HydrophobicContact CB-CD1 4.14Å; V157-L217 HydrophobicContact CG1-CB 3.92Å; V157-L217 HydrophobicContact CG1-CD1 3.95Å; V157-A220 HydrophobicContact CG2-CB 3.58Å |
| 158 | D | 96 | Very high | 96 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.5 | -38.1 | -179.6 | -74.2 | -37.3 | 0 | 0 | 0 | 111.2 | L54 R55 C154 I155 K161 L162 | L54-D158 HydrophobicContact CB-CB 4.25Å; R55-D158 WeakPolarHBondContact CD-OD1 3.25Å; R55-D158 VanDerWaalsContact CD-OD2 3.26Å; R55-D158 WeakPolarHBondContact CD-OD2 3.12Å; R55-D158 IonicContact CZ-OD1 3.16Å; R55-D158 IonicContact NH1-OD1 3.89Å; R55-D158 PolarHBondContact NH1-OD1 3.23Å; C154-D158 WeakPolarHBondContact O-CB 3.19Å; C154-D158 PolarHBondContact O-N 2.87Å; I155-D158 PolarHBondContact O-N 3.49Å; D158-K161 WeakPolarHBondContact O-CB 3.25Å; D158-K161 PolarHBondContact O-N 3.06Å; D158-L162 VanDerWaalsContact O-CG 3.27Å; D158-L162 WeakPolarHBondContact O-CG 3.1Å; D158-L162 PolarHBondContact O-N 3.31Å |
| 159 | T | 96 | Very high | 96 | Very high | 51 Ų | 51 | 27.6 Ų | 27.6 | 31% | 0.313 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.4 | -48.4 | 172.2 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | I155 F156 K161 L162 M163 | I155-T159 WeakPolarHBondContact O-CB 3.47Å; I155-T159 PolarHBondContact O-N 2.68Å; I155-T159 PolarHBondContact O-OG1 3.45Å; F156-T159 PolarHBondContact O-N 3.44Å; T159-K161 VanDerWaalsContact C-N 3.29Å; T159-K161 PolarHBondContact O-N 2.96Å; T159-L162 PolarHBondContact O-N 2.89Å; T159-M163 HydrophobicContact CG2-CG 4.34Å; T159-M163 HydrophobicContact CG2-SD 3.85Å; T159-M163 WeakPolarHBondContact O-CB 3.27Å; T159-M163 VanDerWaalsContact O-CG 3.28Å; T159-M163 WeakPolarHBondContact O-CG 3.44Å; T159-M163 PolarHBondContact O-N 3.46Å |
| 160 | I | 96.6 | Very high | 95.8 | Very high | 49 Ų | 49 | 28.1 Ų | 28.1 | 25% | 0.251 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.7 | -38.8 | 178.3 | -64 | 161.9 | 0 | 0 | 0 | 110.7 | F156 V157 M163 T164 F214 P215 I281 | F156-I160 WeakPolarHBondContact O-CD1 3.24Å; F156-I160 WeakPolarHBondContact O-CG1 3.47Å; F156-I160 PolarHBondContact O-N 3.33Å; V157-I160 PolarHBondContact O-N 2.87Å; I160-M163 PolarHBondContact O-N 3.49Å; I160-T164 HydrophobicContact CG2-CG2 3.93Å; I160-T164 WeakPolarHBondContact O-CB 3.21Å; I160-T164 WeakPolarHBondContact O-CG2 3.19Å; I160-T164 PolarHBondContact O-N 2.95Å; I160-T164 PolarHBondContact O-OG1 3.3Å; I160-F214 HydrophobicContact CG2-CD1 4.09Å; I160-F214 HydrophobicContact CG2-CE1 4.07Å; I160-P215 HydrophobicContact CB-CG 4.42Å; I160-P215 HydrophobicContact CD1-CG 4.41Å; I160-P215 VanDerWaalsContact CG2-CD 3.49Å; I160-P215 HydrophobicContact CG2-CG 4.33Å; I160-I281 HydrophobicContact CD1-CD1 4.13Å |
| 161 | K | 96.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | 175.4 | -78.6 | 178 | 175.3 | -144.1 | 0 | 112.1 | V157 D158 T159 T164 G165 L212 F214 P215 | V157-K161 HydrophobicContact CG1-CD 4.13Å; V157-K161 HydrophobicContact CG1-CG 4.5Å; V157-K161 WeakPolarHBondContact O-CB 3.47Å; V157-K161 VanDerWaalsContact O-CG 3.31Å; V157-K161 WeakPolarHBondContact O-CG 3.15Å; V157-K161 PolarHBondContact O-N 2.91Å; D158-K161 WeakPolarHBondContact O-CB 3.25Å; D158-K161 PolarHBondContact O-N 3.06Å; T159-K161 VanDerWaalsContact C-N 3.29Å; T159-K161 PolarHBondContact O-N 2.96Å; K161-T164 PolarHBondContact O-N 3.28Å; K161-G165 PolarHBondContact O-N 3.39Å; K161-L212 HydrophobicContact CB-CB 4.33Å; K161-L212 HydrophobicContact CB-CD2 3.94Å; K161-L212 HydrophobicContact CD-CB 4.32Å; K161-L212 PolarHBondContact NZ-O 3.38Å; K161-L212 VanDerWaalsContact NZ-O 3.16Å; K161-L212 WeakPolarHBondContact O-CD2 3.35Å; K161-F214 WeakPolarHBondContact CA-O 3.32Å; K161-F214 WeakPolarHBondContact CG-O 3.43Å; K161-P215 WeakPolarHBondContact CE-O 3.43Å; K161-P215 PolarHBondContact NZ-O 3.37Å |
| 162 | L | 94.8 | Very high | 95.4 | Very high | 17 Ų | 17 | 28.5 Ų | 28.5 | 9% | 0.089 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.7 | -38.5 | 179.3 | -66.1 | 172.8 | 0 | 0 | 0 | 112 | L54 F60 Y62 H63 D158 T159 L212 | L54-L162 HydrophobicContact CD2-CD1 3.76Å; F60-L162 HydrophobicContact CB-CD1 3.95Å; Y62-L162 WeakPolarHBondContact CA-O 3.45Å; H63-L162 PolarHBondContact N-O 2.69Å; D158-L162 VanDerWaalsContact O-CG 3.27Å; D158-L162 WeakPolarHBondContact O-CG 3.1Å; D158-L162 PolarHBondContact O-N 3.31Å; T159-L162 PolarHBondContact O-N 2.89Å; L162-L212 HydrophobicContact CD2-CD2 4.13Å |
| 163 | M | 94.5 | Very high | 95.2 | Very high | 137 Ų | 137 | 29.8 Ų | 29.8 | 68% | 0.675 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -70.9 | -37.8 | 177.7 | -70 | 179.4 | 75.5 | 0 | 0 | 112.8 | H63 T159 I160 | H63-M163 WeakPolarHBondContact CB-O 3.36Å; T159-M163 HydrophobicContact CG2-CG 4.34Å; T159-M163 HydrophobicContact CG2-SD 3.85Å; T159-M163 WeakPolarHBondContact O-CB 3.27Å; T159-M163 VanDerWaalsContact O-CG 3.28Å; T159-M163 WeakPolarHBondContact O-CG 3.44Å; T159-M163 PolarHBondContact O-N 3.46Å; I160-M163 PolarHBondContact O-N 3.49Å |
| 164 | T | 93.8 | Very high | 94.9 | Very high | 23 Ų | 23 | 31 Ų | 31 | 14% | 0.141 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -87.4 | -48.2 | -175.5 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | H63 R65 I160 K161 F166 F214 | H63-T164 PolarHBondContact CD2-O 3.21Å; R65-T164 WeakPolarHBondContact CD-O 3.3Å; R65-T164 VanDerWaalsContact CZ-O 3.23Å; R65-T164 PolarHBondContact NE-O 3.05Å; R65-T164 PolarHBondContact NH2-O 2.96Å; I160-T164 HydrophobicContact CG2-CG2 3.93Å; I160-T164 WeakPolarHBondContact O-CB 3.21Å; I160-T164 WeakPolarHBondContact O-CG2 3.19Å; I160-T164 PolarHBondContact O-N 2.95Å; I160-T164 PolarHBondContact O-OG1 3.3Å; K161-T164 PolarHBondContact O-N 3.28Å; T164-F166 VanDerWaalsContact C-N 3.35Å; T164-F166 HydrophobicContact CG2-CD2 4.25Å; T164-F166 HydrophobicContact CG2-CE2 4.19Å; T164-F166 PolarHBondContact O-N 2.91Å; T164-F214 HydrophobicContact CG2-CD1 4.32Å; T164-F214 PolarHBondContact OG1-O 3.25Å |
| 165 | G | 92.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | 65.5 | 34.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | H63 K161 W211 | H63-G165 VanDerWaalsContact O-CA 3.32Å; H63-G165 WeakPolarHBondContact O-CA 3.24Å; K161-G165 PolarHBondContact O-N 3.39Å; G165-W211 CarbonylContact C-O 3.59Å; G165-W211 WeakPolarHBondContact CA-O 3.41Å | ||
| 166 | F | 94 | Very high | 94.3 | Very high | 83 Ų | 83 | 34.2 Ų | 34.2 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -71.5 | 138.8 | 175.5 | -81.6 | -81.4 | 0 | 0 | 0 | 111.8 | R65 T164 W211 S213 F214 | R65-F166 VanDerWaalsContact NH1-CE2 3.33Å; T164-F166 VanDerWaalsContact C-N 3.35Å; T164-F166 HydrophobicContact CG2-CD2 4.25Å; T164-F166 HydrophobicContact CG2-CE2 4.19Å; T164-F166 PolarHBondContact O-N 2.91Å; F166-W211 CarbonylContact C-O 3.21Å; F166-W211 PolarHBondContact N-O 3.49Å; F166-W211 CarbonylContact O-C 3.54Å; F166-S213 VanDerWaalsContact C-OG 3.3Å; F166-S213 WeakPolarHBondContact CB-OG 3.33Å; F166-S213 PolarHBondContact O-N 3.49Å; F166-S213 PolarHBondContact O-OG 3.46Å; F166-F214 HydrophobicContact CB-CB 3.97Å; F166-F214 HydrophobicContact CD2-CB 3.72Å; F166-F214 HydrophobicContact CD2-CD1 4.13Å; F166-F214 HydrophobicContact CD2-CG 4.09Å; F166-F214 HydrophobicContact CE2-CB 4.49Å; F166-F214 HydrophobicContact CE2-CD1 4.23Å; F166-F214 HydrophobicContact CE2-CG 4.4Å; F166-F214 HydrophobicContact CG-CB 4.13Å |
| 167 | Q | 94.1 | Very high | 93.9 | Very high | 20 Ų | 20 | 28.6 Ų | 28.6 | 9% | 0.093 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -78 | 149 | 179.4 | -57.1 | 113.4 | 4.4 | 0 | 0 | 112.4 | R65 L74 F171 A210 W211 S213 H271 | R65-Q167 PolarHBondContact O-NE2 3.4Å; L74-Q167 HydrophobicContact CD1-CB 4.47Å; L74-Q167 HydrophobicContact CD2-CB 3.85Å; Q167-F171 HydrophobicContact CB-CB 3.85Å; Q167-F171 HydrophobicContact CB-CD1 4.08Å; Q167-F171 HydrophobicContact CB-CD2 4.22Å; Q167-F171 HydrophobicContact CB-CG 3.77Å; Q167-F171 HydrophobicContact CG-CB 4.49Å; Q167-F171 HydrophobicContact CG-CD1 3.86Å; Q167-F171 HydrophobicContact CG-CD2 4.06Å; Q167-F171 HydrophobicContact CG-CE1 4.08Å; Q167-F171 HydrophobicContact CG-CE2 4.28Å; Q167-F171 HydrophobicContact CG-CG 3.86Å; Q167-F171 HydrophobicContact CG-CZ 4.29Å; Q167-A210 CarbonylContact C-O 3.43Å; Q167-A210 WeakPolarHBondContact CA-O 3.35Å; Q167-W211 HydrophobicContact CG-CD2 4.44Å; Q167-W211 HydrophobicContact CG-CE3 4.05Å; Q167-W211 HydrophobicContact CG-CZ3 4.17Å; Q167-W211 VanDerWaalsContact NE2-CZ3 3.32Å; Q167-S213 WeakPolarHBondContact O-CB 3.24Å; Q167-S213 PolarHBondContact O-OG 2.91Å; Q167-S213 VanDerWaalsContact O-OG 3.08Å; Q167-H271 PolarHBondContact O-NE2 3.35Å |
| 168 | R | 95 | Very high | 93.4 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 155.6 | 172.5 | -67.1 | -177.3 | -179.8 | -137.5 | 14.5 | 111.1 | L74 Y90 Y170 F171 T209 A210 L212 K269 | L74-R168 WeakPolarHBondContact CD2-O 3.28Å; Y90-R168 PolarHBondContact OH-NH2 2.87Å; R168-Y170 HydrophobicContact CB-CD1 3.94Å; R168-Y170 HydrophobicContact CB-CE1 3.66Å; R168-Y170 VanDerWaalsContact CD-CE1 3.43Å; R168-Y170 WeakPolarHBondContact CD-OH 3.49Å; R168-Y170 HydrophobicContact CG-CE1 4.19Å; R168-Y170 PolarHBondContact O-N 2.83Å; R168-F171 WeakPolarHBondContact O-CB 3.05Å; R168-F171 PolarHBondContact O-N 3.35Å; R168-T209 WeakPolarHBondContact CD-O 3.38Å; R168-T209 PolarHBondContact NE-O 2.96Å; R168-A210 PolarHBondContact N-O 3.4Å; R168-L212 PolarHBondContact NE-O 2.83Å; R168-L212 PolarHBondContact NH2-O 3.39Å; R168-K269 WeakPolarHBondContact CD-O 3.43Å; R168-K269 VanDerWaalsContact CG-O 3.23Å; R168-K269 WeakPolarHBondContact CG-O 3.21Å; R168-K269 PolarHBondContact NH1-O 2.88Å; R168-K269 VanDerWaalsContact NH1-O 3.13Å |
| 169 | P | 94.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.032 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.7 | -179.1 | -20.2 | 24.7 | 0 | 0 | 0 | 116 | S73 L74 K76 Y268 | S73-P169 WeakPolarHBondContact O-CA 3.46Å; L74-P169 CarbonylContact C-O 3.57Å; L74-P169 WeakPolarHBondContact CA-O 3.04Å; K76-P169 HydrophobicContact CB-CB 4.14Å; K76-P169 VanDerWaalsContact CB-O 3.23Å; K76-P169 WeakPolarHBondContact CB-O 3.46Å; K76-P169 HydrophobicContact CG-CB 3.73Å; K76-P169 WeakPolarHBondContact CG-O 3.28Å; K76-P169 PolarHBondContact N-O 2.94Å; P169-Y268 WeakPolarHBondContact CB-O 3Å; P169-Y268 WeakPolarHBondContact CD-O 3.4Å; P169-Y268 VanDerWaalsContact CG-O 3.28Å; P169-Y268 WeakPolarHBondContact CG-O 3.44Å |
| 170 | Y | 93.8 | Very high | 92.2 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 4% | 0.043 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 4.5 | 176.5 | 69.2 | -93.3 | 0 | 0 | 0 | 114.3 | K76 N78 R168 L172 T173 L174 A210 Y268 K269 | K76-Y170 WeakPolarHBondContact O-CA 3.36Å; N78-Y170 HydrophobicContact CB-CD2 4.02Å; N78-Y170 HydrophobicContact CB-CG 4.25Å; R168-Y170 HydrophobicContact CB-CD1 3.94Å; R168-Y170 HydrophobicContact CB-CE1 3.66Å; R168-Y170 VanDerWaalsContact CD-CE1 3.43Å; R168-Y170 WeakPolarHBondContact CD-OH 3.49Å; R168-Y170 HydrophobicContact CG-CE1 4.19Å; R168-Y170 PolarHBondContact O-N 2.83Å; Y170-L172 PolarHBondContact O-N 3.34Å; Y170-T173 WeakPolarHBondContact O-CB 3.44Å; Y170-T173 PolarHBondContact O-N 3.1Å; Y170-L174 HydrophobicContact CD2-CB 4.23Å; Y170-L174 HydrophobicContact CE2-CB 4.48Å; Y170-L174 HydrophobicContact CE2-CD2 4.05Å; Y170-L174 PolarHBondContact O-N 3.42Å; Y170-A210 HydrophobicContact CE2-CB 3.91Å; Y170-Y268 WeakPolarHBondContact CD1-O 3.35Å; Y170-K269 HydrophobicContact CD1-CD 3.69Å; Y170-K269 HydrophobicContact CE1-CB 4.49Å; Y170-K269 HydrophobicContact CE1-CD 3.3Å; Y170-K269 HydrophobicContact CE1-CG 4.46Å |
| 171 | F | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.5 | -50.1 | -168.7 | 170.5 | -99.4 | 0 | 0 | 0 | 113.7 | F67 L74 Q167 R168 T173 L174 C175 L207 A210 W211 | F67-F171 HydrophobicContact CB-CE1 4.19Å; F67-F171 AromaticContact CD1-CE1 3.61Å; F67-F171 HydrophobicContact CD1-CE1 3.61Å; F67-F171 AromaticContact CD1-CZ 3.86Å; F67-F171 HydrophobicContact CD1-CZ 3.86Å; F67-F171 HydrophobicContact CD2-CE1 4.06Å; F67-F171 AromaticContact CE1-CE1 3.87Å; F67-F171 HydrophobicContact CE1-CE1 3.87Å; F67-F171 AromaticContact CE1-CZ 3.85Å; F67-F171 HydrophobicContact CE1-CZ 3.85Å; F67-F171 HydrophobicContact CE2-CE1 4.29Å; F67-F171 AromaticContact CG-CE1 3.7Å; F67-F171 HydrophobicContact CG-CE1 3.7Å; F67-F171 HydrophobicContact CG-CZ 4.42Å; F67-F171 HydrophobicContact CZ-CE1 4.19Å; F67-F171 HydrophobicContact CZ-CZ 4.39Å; L74-F171 PolarHBondContact O-N 2.91Å; Q167-F171 HydrophobicContact CB-CB 3.85Å; Q167-F171 HydrophobicContact CB-CD1 4.08Å; Q167-F171 HydrophobicContact CB-CD2 4.22Å; Q167-F171 HydrophobicContact CB-CG 3.77Å; Q167-F171 HydrophobicContact CG-CB 4.49Å; Q167-F171 HydrophobicContact CG-CD1 3.86Å; Q167-F171 HydrophobicContact CG-CD2 4.06Å; Q167-F171 HydrophobicContact CG-CE1 4.08Å; Q167-F171 HydrophobicContact CG-CE2 4.28Å; Q167-F171 HydrophobicContact CG-CG 3.86Å; Q167-F171 HydrophobicContact CG-CZ 4.29Å; R168-F171 WeakPolarHBondContact O-CB 3.05Å; R168-F171 PolarHBondContact O-N 3.35Å; F171-T173 VanDerWaalsContact C-N 3.3Å; F171-T173 PolarHBondContact O-N 2.95Å; F171-L174 PolarHBondContact O-N 2.93Å; F171-L174 VanDerWaalsContact O-N 3.15Å; F171-C175 HydrophobicContact CE1-CB 4.28Å; F171-C175 HydrophobicContact CE2-CB 4.41Å; F171-C175 HydrophobicContact CZ-CB 4.13Å; F171-C175 WeakPolarHBondContact O-CB 3.41Å; F171-C175 PolarHBondContact O-N 3Å; F171-L207 HydrophobicContact CE2-CD1 3.86Å; F171-A210 HydrophobicContact CD2-CB 3.8Å; F171-W211 AromaticContact CE2-CD1 3.81Å; F171-W211 HydrophobicContact CE2-CD2 4.18Å; F171-W211 AromaticContact CE2-CE2 3.64Å; F171-W211 HydrophobicContact CE2-CG 4.27Å; F171-W211 HydrophobicContact CE2-CZ2 4.15Å; F171-W211 AromaticContact CE2-NE1 3.37Å; F171-W211 AromaticContact CZ-CE2 3.81Å; F171-W211 AromaticContact CZ-CZ2 3.82Å; F171-W211 HydrophobicContact CZ-CZ2 3.82Å; F171-W211 AromaticContact CZ-NE1 3.88Å |
| 172 | L | 92.4 | Very high | 90.7 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.8 | -34.8 | -176.6 | -69.8 | 172.5 | 0 | 0 | 0 | 111.8 | F67 D71 L74 M75 Y170 L174 N176 P177 | F67-L172 HydrophobicContact CD2-CD2 3.67Å; F67-L172 HydrophobicContact CE2-CD2 3.93Å; D71-L172 HydrophobicContact CB-CD1 4.4Å; L74-L172 HydrophobicContact CB-CB 4.49Å; L74-L172 HydrophobicContact CB-CD1 3.62Å; L74-L172 HydrophobicContact CB-CG 3.77Å; L74-L172 WeakPolarHBondContact O-CB 3.25Å; L74-L172 PolarHBondContact O-N 3.06Å; M75-L172 HydrophobicContact CG-CB 4.02Å; M75-L172 HydrophobicContact CG-CD1 3.63Å; M75-L172 HydrophobicContact CG-CG 4.48Å; Y170-L172 PolarHBondContact O-N 3.34Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 PolarHBondContact O-N 3.41Å; L172-N176 PolarHBondContact O-N 3.3Å; L172-P177 HydrophobicContact CD2-CG 4.3Å |
| 173 | T | 92 | Very high | 89.9 | Confident | 71 Ų | 71 | 41.8 Ų | 41.8 | 44% | 0.436 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.8 | -36.8 | 175.1 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | K76 Y170 F171 | K76-T173 WeakPolarHBondContact O-CB 3.48Å; K76-T173 PolarHBondContact O-OG1 2.98Å; Y170-T173 WeakPolarHBondContact O-CB 3.44Å; Y170-T173 PolarHBondContact O-N 3.1Å; F171-T173 VanDerWaalsContact C-N 3.3Å; F171-T173 PolarHBondContact O-N 2.95Å |
| 174 | L | 92.6 | Very high | 89.3 | Confident | 26 Ų | 26 | 44.2 Ų | 44.2 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -80.1 | -47 | 177.2 | -176 | 68.4 | 0 | 0 | 0 | 112.2 | Y170 F171 L172 N176 F201 A206 A210 | Y170-L174 HydrophobicContact CD2-CB 4.23Å; Y170-L174 HydrophobicContact CE2-CB 4.48Å; Y170-L174 HydrophobicContact CE2-CD2 4.05Å; Y170-L174 PolarHBondContact O-N 3.42Å; F171-L174 PolarHBondContact O-N 2.93Å; F171-L174 VanDerWaalsContact O-N 3.15Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 PolarHBondContact O-N 3.41Å; L174-N176 VanDerWaalsContact C-N 3.28Å; L174-N176 PolarHBondContact O-N 3.46Å; L174-F201 HydrophobicContact CD1-CD1 4.02Å; L174-F201 HydrophobicContact CD1-CE1 3.69Å; L174-F201 HydrophobicContact CD1-CE2 4.4Å; L174-F201 HydrophobicContact CD1-CG 4.47Å; L174-F201 HydrophobicContact CD1-CZ 3.91Å; L174-F201 HydrophobicContact CD2-CE1 4.3Å; L174-F201 HydrophobicContact CG-CD1 3.95Å; L174-F201 HydrophobicContact CG-CE1 3.96Å; L174-F201 WeakPolarHBondContact O-CB 3.2Å; L174-F201 WeakPolarHBondContact O-CG 3.47Å; L174-A206 HydrophobicContact CD2-CB 4.2Å; L174-A210 HydrophobicContact CD2-CB 4.03Å |
| 175 | C | 91.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.8 | -39.9 | -178.9 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | F171 C199 H200 F201 | F171-C175 HydrophobicContact CE1-CB 4.28Å; F171-C175 HydrophobicContact CE2-CB 4.41Å; F171-C175 HydrophobicContact CZ-CB 4.13Å; F171-C175 WeakPolarHBondContact O-CB 3.41Å; F171-C175 PolarHBondContact O-N 3Å; C175-C199 HydrophobicContact CB-CB 3.96Å; C175-C199 WeakPolarHBondContact CB-SG 3.36Å; C175-C199 CarbonylContact O-C 3.49Å; C175-C199 WeakPolarHBondContact O-CA 3.35Å; C175-C199 WeakPolarHBondContact O-CB 3.25Å; C175-C199 WeakPolarHBondContact SG-CA 3.47Å; C175-C199 WeakPolarHBondContact SG-CB 3.47Å; C175-C199 CovalentContact SG-SG 2.03Å; C175-C199 PolarHBondContact SG-SG 2.84Å; C175-H200 PolarHBondContact O-N 3.48Å; C175-F201 PolarHBondContact O-N 3.46Å |
| 176 | N | 90.6 | Very high | 87.5 | Confident | 85 Ų | 85 | 52.3 Ų | 52.3 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | trans | 44.2 | 75.6 | -171.3 | -172.8 | 20.4 | 0 | 0 | 0 | 110.6 | L172 L174 H200 | L172-N176 PolarHBondContact O-N 3.3Å; L174-N176 VanDerWaalsContact C-N 3.28Å; L174-N176 PolarHBondContact O-N 3.46Å; N176-H200 WeakPolarHBondContact O-CB 3.12Å; N176-H200 PolarHBondContact O-CD2 3Å; N176-H200 PolarHBondContact O-N 3.47Å | ||
| 177 | P | 88.7 | Confident | 86.2 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -66 | 149.3 | -171.9 | 28.1 | -34.8 | 0 | 0 | 0 | 111.5 | F67 L172 F179 A198 | F67-P177 HydrophobicContact CE2-CB 4.26Å; L172-P177 HydrophobicContact CD2-CG 4.3Å; P177-F179 VanDerWaalsContact C-N 3.28Å; P177-F179 HydrophobicContact CG-CD1 4.35Å; P177-F179 HydrophobicContact CG-CE1 3.81Å; P177-F179 HydrophobicContact CG-CE2 4.04Å; P177-F179 HydrophobicContact CG-CZ 3.64Å; P177-F179 WeakPolarHBondContact O-CD2 3.3Å; P177-F179 WeakPolarHBondContact O-CE2 3.49Å; P177-F179 PolarHBondContact O-N 3.49Å; P177-A198 CarbonylContact C-O 3.56Å; P177-A198 WeakPolarHBondContact CA-O 3.26Å |
| 178 | N | 86.9 | Confident | 85.5 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | trans | -70.3 | 88.4 | 172.2 | -173.9 | -7.5 | 0 | 0 | 0 | 109.9 | A180 Q181 Y182 A198 H200 | N178-A180 PolarHBondContact O-N 3.01Å; N178-A180 PolarHBondContact OD1-N 2.98Å; N178-Q181 HydrophobicContact CB-CB 4.39Å; N178-Q181 PolarHBondContact ND2-OE1 3.5Å; N178-Q181 PolarHBondContact O-N 3.43Å; N178-Q181 PolarHBondContact OD1-N 2.92Å; N178-Y182 HydrophobicContact CB-CD2 4.13Å; N178-Y182 HydrophobicContact CB-CE2 4.46Å; N178-Y182 PolarHBondContact O-N 2.96Å; N178-Y182 VanDerWaalsContact O-N 3.08Å; N178-A198 PolarHBondContact N-O 2.97Å; N178-H200 WeakPolarHBondContact CA-NE2 3.39Å; N178-H200 WeakPolarHBondContact CB-NE2 3.08Å | ||
| 179 | F | 84.4 | Confident | 84.9 | Confident | 98 Ų | 98 | 62.3 Ų | 62.3 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.3 | -30 | -176.3 | -66.9 | -79.6 | 0 | 0 | 0 | 113 | P177 C183 | P177-F179 VanDerWaalsContact C-N 3.28Å; P177-F179 HydrophobicContact CG-CD1 4.35Å; P177-F179 HydrophobicContact CG-CE1 3.81Å; P177-F179 HydrophobicContact CG-CE2 4.04Å; P177-F179 HydrophobicContact CG-CZ 3.64Å; P177-F179 WeakPolarHBondContact O-CD2 3.3Å; P177-F179 WeakPolarHBondContact O-CE2 3.49Å; P177-F179 PolarHBondContact O-N 3.49Å; F179-C183 HydrophobicContact CB-CB 4.36Å; F179-C183 HydrophobicContact CD1-CB 3.84Å; F179-C183 CarbonylContact O-C 3.07Å; F179-C183 PolarHBondContact O-N 3.39Å |
| 180 | A | 82.5 | Confident | 84.3 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -70.6 | -34.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N178 | N178-A180 PolarHBondContact O-N 3.01Å; N178-A180 PolarHBondContact OD1-N 2.98Å |
| 181 | Q | 81.6 | Confident | 83.6 | Confident | 121 Ų | 121 | 63.4 Ų | 63.4 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -95.2 | -41.8 | -173.7 | -172.8 | 174.8 | 1.4 | 0 | 0 | 113.1 | N178 | N178-Q181 HydrophobicContact CB-CB 4.39Å; N178-Q181 PolarHBondContact ND2-OE1 3.5Å; N178-Q181 PolarHBondContact O-N 3.43Å; N178-Q181 PolarHBondContact OD1-N 2.92Å |
| 182 | Y | 80.5 | Confident | 82.8 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 22% | 0.22 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -114 | -19.2 | -168.4 | -59.5 | -66.6 | 0 | 0 | 0 | 114.6 | N178 P191 A198 | N178-Y182 HydrophobicContact CB-CD2 4.13Å; N178-Y182 HydrophobicContact CB-CE2 4.46Å; N178-Y182 PolarHBondContact O-N 2.96Å; N178-Y182 VanDerWaalsContact O-N 3.08Å; Y182-P191 HydrophobicContact CD1-CG 3.32Å; Y182-P191 HydrophobicContact CE1-CG 3.38Å; Y182-P191 HydrophobicContact CG-CG 4.1Å; Y182-A198 HydrophobicContact CD2-CB 3.58Å; Y182-A198 HydrophobicContact CE2-CB 4.07Å; Y182-A198 HydrophobicContact CG-CB 3.94Å |
| 183 | C | 78.4 | Confident | 82 | Confident | 10 Ų | 10 | 79 Ų | 79 | 7% | 0.068 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -113.6 | 30.1 | -172 | -50.5 | 0 | 0 | 0 | 0 | 112.8 | C69 F179 F187 | C69-C183 HydrophobicContact CB-CB 3.32Å; C69-C183 WeakPolarHBondContact CB-SG 3.07Å; C69-C183 WeakPolarHBondContact SG-CB 3.21Å; C69-C183 CovalentContact SG-SG 2.03Å; C69-C183 PolarHBondContact SG-SG 3.34Å; F179-C183 HydrophobicContact CB-CB 4.36Å; F179-C183 HydrophobicContact CD1-CB 3.84Å; F179-C183 CarbonylContact O-C 3.07Å; F179-C183 PolarHBondContact O-N 3.39Å; C183-F187 CarbonylContact C-O 3.53Å |
| 184 | R | 80.3 | Confident | 81.5 | Confident | 188 Ų | 188 | 81.3 Ų | 81.3 | 71% | 0.709 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -108.1 | 136.6 | 179.1 | -166.6 | 175.7 | -171.2 | 134.2 | 2 | 109.8 | F187 | R184-F187 CarbonylContact C-O 3.33Å; R184-F187 PolarHBondContact N-O 3.38Å; R184-F187 PolarHBondContact O-N 3.48Å; R184-F187 VanDerWaalsContact O-N 3.09Å |
| 185 | A | 76.1 | Confident | 81.1 | Confident | 79 Ų | 79 | 80.1 Ų | 80.1 | 65% | 0.653 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 136.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 186 | P | 72.5 | Confident | 80.8 | Confident | 114 Ų | 114 | 81.6 Ų | 81.6 | 74% | 0.74 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.5 | -6.3 | 14.6 | 33.7 | -35.2 | 0 | 0 | 0 | 115.5 | ||
| 187 | F | 66.6 | Low | 80.4 | Confident | 153 Ų | 153 | 80.7 Ų | 80.7 | 67% | 0.671 | 42% | 0.416 | S | S | * | . | trans | -98.2 | 114.6 | -176.6 | -57.6 | -73.1 | 0 | 0 | 0 | 110.6 | C183 R184 | C183-F187 CarbonylContact C-O 3.53Å; R184-F187 CarbonylContact C-O 3.33Å; R184-F187 PolarHBondContact N-O 3.38Å; R184-F187 PolarHBondContact O-N 3.48Å; R184-F187 VanDerWaalsContact O-N 3.09Å | ||
| 188 | E | 80.1 | Confident | 80.3 | Confident | 87 Ų | 87 | 80.6 Ų | 80.6 | 41% | 0.407 | 42% | 0.415 | S | S | . | . | trans | -100 | 15.3 | 176.3 | -60.7 | -155.9 | 129.4 | 0 | 0 | 112.6 | C69 K70 | C69-E188 PolarHBondContact N-O 2.99Å; K70-E188 IonicContact NZ-OE1 3.61Å; K70-E188 PolarHBondContact NZ-OE1 2.89Å | ||
| 189 | H | 82.2 | Confident | 80.4 | Confident | 78 Ų | 78 | 79.2 Ų | 79.2 | 36% | 0.361 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -133.5 | 156.2 | -170.8 | -50.6 | -26.2 | 0 | 0 | 0 | 111.4 | V66 F67 H68 | V66-H189 HydrophobicContact CG1-CB 3.74Å; F67-H189 VanDerWaalsContact O-CA 3.31Å; F67-H189 WeakPolarHBondContact O-CA 3.43Å; H68-H189 AromaticContact CE1-CE1 3.12Å; H68-H189 PolarHBondContact CE1-CE1 3.18Å; H68-H189 AromaticContact CE1-ND1 3.48Å; H68-H189 PolarHBondContact CE1-ND1 3.48Å; H68-H189 AromaticContact CE1-NE2 3.46Å; H68-H189 PolarHBondContact CE1-NE2 3.13Å; H68-H189 AromaticContact CG-CE1 3.77Å; H68-H189 AromaticContact CG-ND1 3.5Å; H68-H189 AromaticContact ND1-CE1 2.79Å; H68-H189 PolarHBondContact ND1-CE1 2.89Å; H68-H189 AromaticContact ND1-ND1 3Å; H68-H189 PolarHBondContact ND1-ND1 3.49Å; H68-H189 AromaticContact ND1-NE2 3.63Å |
| 190 | S | 81.8 | Confident | 80.6 | Confident | 5 Ų | 5 | 79.7 Ų | 79.7 | 4% | 0.035 | 41% | 0.412 | C | S | . | . | trans | -62.1 | 158.3 | 174.9 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | V66 F67 E192 | V66-S190 WeakPolarHBondContact CA-OG 3.38Å; F67-S190 VanDerWaalsContact CE1-CB 3.49Å; F67-S190 PolarHBondContact N-OG 3.29Å; F67-S190 PolarHBondContact O-N 3.27Å; S190-E192 PolarHBondContact O-N 2.97Å | ||
| 191 | P | 79.1 | Confident | 80.7 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 22% | 0.221 | 40% | 0.396 | C | S | . | . | trans | -53.6 | 138.7 | 171.5 | -23.5 | 33.5 | 0 | 0 | 0 | 112 | Y182 P195 | Y182-P191 HydrophobicContact CD1-CG 3.32Å; Y182-P191 HydrophobicContact CE1-CG 3.38Å; Y182-P191 HydrophobicContact CG-CG 4.1Å; P191-P195 WeakPolarHBondContact O-CG 3.21Å | ||
| 192 | E | 78.1 | Confident | 80.6 | Confident | 169 Ų | 169 | 82.1 Ų | 82.1 | 79% | 0.79 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -71 | -38.5 | -179.2 | -61.2 | -171.6 | 168.9 | 0 | 0 | 112.6 | V66 S190 | V66-E192 HydrophobicContact CG2-CB 4.34Å; V66-E192 HydrophobicContact CG2-CG 4.07Å; S190-E192 PolarHBondContact O-N 2.97Å |
| 193 | E | 75.7 | Confident | 80.7 | Confident | 166 Ų | 166 | 84.8 Ų | 84.8 | 78% | 0.776 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -72 | -41.6 | -174.4 | -63.3 | -179.9 | 170.9 | 0 | 0 | 112.3 | ||
| 194 | H | 82.3 | Confident | 80.9 | Confident | 120 Ų | 120 | 90.1 Ų | 90.1 | 56% | 0.556 | 45% | 0.449 | S | S | * | . | trans | -142.4 | 73.9 | -175.8 | -63.7 | -48.6 | 0 | 0 | 0 | 112.1 | P196 S197 | H194-P196 VanDerWaalsContact C-N 3.33Å; H194-S197 WeakPolarHBondContact O-CB 3.39Å; H194-S197 PolarHBondContact O-N 3.41Å; H194-S197 PolarHBondContact O-OG 3.33Å | ||
| 195 | P | 84.2 | Confident | 81.2 | Confident | 1 Ų | 1 | 85.9 Ų | 85.9 | 1% | 0.006 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -51.9 | -38.8 | 179.7 | -24.7 | 32 | 0 | 0 | 0 | 115.2 | Q64 F67 P191 S197 A198 W211 | Q64-P195 HydrophobicContact CB-CG 4.12Å; F67-P195 HydrophobicContact CD1-CB 4.34Å; F67-P195 HydrophobicContact CE1-CB 4.1Å; P191-P195 WeakPolarHBondContact O-CG 3.21Å; P195-S197 PolarHBondContact O-N 3.48Å; P195-A198 PolarHBondContact O-N 3.48Å; P195-W211 HydrophobicContact CB-CH2 3.72Å; P195-W211 HydrophobicContact CB-CZ2 4.01Å; P195-W211 HydrophobicContact CG-CH2 4.42Å |
| 196 | P | 84.1 | Confident | 81.9 | Confident | 31 Ų | 31 | 83.5 Ų | 83.5 | 20% | 0.201 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -64.1 | -22.8 | 179.2 | -22.1 | 33.1 | 0 | 0 | 0 | 114.4 | Q64 H194 A198 C199 L207 W211 | Q64-P196 VanDerWaalsContact CD-CG 3.43Å; Q64-P196 HydrophobicContact CG-CG 4.23Å; H194-P196 VanDerWaalsContact C-N 3.33Å; P196-A198 PolarHBondContact O-N 3.41Å; P196-C199 WeakPolarHBondContact O-CB 3.21Å; P196-C199 PolarHBondContact O-N 3.29Å; P196-C199 VanDerWaalsContact O-N 3.13Å; P196-L207 HydrophobicContact CB-CD2 4.27Å; P196-W211 HydrophobicContact CG-CZ2 4.43Å |
| 197 | S | 83.2 | Confident | 82.7 | Confident | 66 Ų | 66 | 78.4 Ų | 78.4 | 46% | 0.462 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -64.9 | -21.1 | 179.6 | 68.9 | 0 | 0 | 0 | 0 | 113 | H194 P195 C199 | H194-S197 WeakPolarHBondContact O-CB 3.39Å; H194-S197 PolarHBondContact O-N 3.41Å; H194-S197 PolarHBondContact O-OG 3.33Å; P195-S197 PolarHBondContact O-N 3.48Å; S197-C199 VanDerWaalsContact C-N 3.3Å; S197-C199 PolarHBondContact O-N 2.96Å |
| 198 | A | 85.3 | Confident | 83.9 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -75.8 | -15.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | F67 P177 N178 Y182 P195 P196 | F67-A198 HydrophobicContact CZ-CB 4.09Å; P177-A198 CarbonylContact C-O 3.56Å; P177-A198 WeakPolarHBondContact CA-O 3.26Å; N178-A198 PolarHBondContact N-O 2.97Å; Y182-A198 HydrophobicContact CD2-CB 3.58Å; Y182-A198 HydrophobicContact CE2-CB 4.07Å; Y182-A198 HydrophobicContact CG-CB 3.94Å; P195-A198 PolarHBondContact O-N 3.48Å; P196-A198 PolarHBondContact O-N 3.41Å |
| 199 | C | 88.6 | Confident | 84.5 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -82.6 | 134.1 | -178.6 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | C175 P196 S197 F201 | C175-C199 HydrophobicContact CB-CB 3.96Å; C175-C199 WeakPolarHBondContact CB-SG 3.36Å; C175-C199 CarbonylContact O-C 3.49Å; C175-C199 WeakPolarHBondContact O-CA 3.35Å; C175-C199 WeakPolarHBondContact O-CB 3.25Å; C175-C199 WeakPolarHBondContact SG-CA 3.47Å; C175-C199 WeakPolarHBondContact SG-CB 3.47Å; C175-C199 CovalentContact SG-SG 2.03Å; C175-C199 PolarHBondContact SG-SG 2.84Å; P196-C199 WeakPolarHBondContact O-CB 3.21Å; P196-C199 PolarHBondContact O-N 3.29Å; P196-C199 VanDerWaalsContact O-N 3.13Å; S197-C199 VanDerWaalsContact C-N 3.3Å; S197-C199 PolarHBondContact O-N 2.96Å; C199-F201 VanDerWaalsContact C-N 3.32Å |
| 200 | H | 88.7 | Confident | 85 | Confident | 108 Ų | 108 | 66.8 Ų | 66.8 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -70.4 | -32.2 | 168.9 | -78.8 | -67.3 | 0 | 0 | 0 | 112 | C175 N176 N178 K202 | C175-H200 PolarHBondContact O-N 3.48Å; N176-H200 WeakPolarHBondContact O-CB 3.12Å; N176-H200 PolarHBondContact O-CD2 3Å; N176-H200 PolarHBondContact O-N 3.47Å; N178-H200 WeakPolarHBondContact CA-NE2 3.39Å; N178-H200 WeakPolarHBondContact CB-NE2 3.08Å; H200-K202 PolarHBondContact O-N 3.32Å |
| 201 | F | 85.9 | Confident | 85.5 | Confident | 68 Ų | 68 | 66.6 Ų | 66.6 | 30% | 0.298 | 34% | 0.336 | S | S | . | . | trans | -79.8 | 117.5 | -178.5 | -172.1 | -100.9 | 0 | 0 | 0 | 111.4 | L174 C175 C199 Q203 A206 | L174-F201 HydrophobicContact CD1-CD1 4.02Å; L174-F201 HydrophobicContact CD1-CE1 3.69Å; L174-F201 HydrophobicContact CD1-CE2 4.4Å; L174-F201 HydrophobicContact CD1-CG 4.47Å; L174-F201 HydrophobicContact CD1-CZ 3.91Å; L174-F201 HydrophobicContact CD2-CE1 4.3Å; L174-F201 HydrophobicContact CG-CD1 3.95Å; L174-F201 HydrophobicContact CG-CE1 3.96Å; L174-F201 WeakPolarHBondContact O-CB 3.2Å; L174-F201 WeakPolarHBondContact O-CG 3.47Å; C175-F201 PolarHBondContact O-N 3.46Å; C199-F201 VanDerWaalsContact C-N 3.32Å; F201-Q203 HydrophobicContact CD1-CB 4.2Å; F201-Q203 HydrophobicContact CE1-CB 3.41Å; F201-Q203 VanDerWaalsContact CE1-CB 3.41Å; F201-Q203 HydrophobicContact CE2-CB 4.32Å; F201-Q203 HydrophobicContact CZ-CB 3.47Å; F201-Q203 VanDerWaalsContact CZ-CB 3.47Å; F201-Q203 HydrophobicContact CZ-CG 4.46Å; F201-A206 HydrophobicContact CE1-CB 3.94Å; F201-A206 HydrophobicContact CZ-CB 4.4Å | ||
| 202 | K | 79.1 | Confident | 86.2 | Confident | 181 Ų | 181 | 65.7 Ų | 65.7 | 79% | 0.787 | 33% | 0.329 | S | S | * | . | trans | -103.9 | 13.2 | -173.1 | -63.1 | -169.3 | 177.6 | -173.4 | 0 | 115.1 | H200 D204 | H200-K202 PolarHBondContact O-N 3.32Å; K202-D204 PolarHBondContact O-N 2.95Å | ||
| 203 | Q | 82.6 | Confident | 87 | Confident | 112 Ų | 112 | 57.6 Ų | 57.6 | 52% | 0.523 | 29% | 0.292 | S | S | . | . | trans | -80.7 | 105.1 | 178.1 | -166.3 | 179.2 | 3.9 | 0 | 0 | 110.4 | F201 D205 A206 L207 | F201-Q203 HydrophobicContact CD1-CB 4.2Å; F201-Q203 HydrophobicContact CE1-CB 3.41Å; F201-Q203 VanDerWaalsContact CE1-CB 3.41Å; F201-Q203 HydrophobicContact CE2-CB 4.32Å; F201-Q203 HydrophobicContact CZ-CB 3.47Å; F201-Q203 VanDerWaalsContact CZ-CB 3.47Å; F201-Q203 HydrophobicContact CZ-CG 4.46Å; Q203-D205 PolarHBondContact O-N 2.9Å; Q203-A206 HydrophobicContact CB-CB 4.5Å; Q203-A206 HydrophobicContact CG-CB 4.43Å; Q203-A206 PolarHBondContact O-N 3.28Å; Q203-L207 WeakPolarHBondContact O-CB 3.19Å; Q203-L207 PolarHBondContact O-N 2.76Å | ||
| 204 | D | 82.3 | Confident | 87.9 | Confident | 121 Ų | 121 | 51.7 Ų | 51.7 | 65% | 0.647 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.4 | -41.3 | -169.6 | -68.2 | -26.3 | 0 | 0 | 0 | 113.7 | K202 L207 R208 | K202-D204 PolarHBondContact O-N 2.95Å; D204-L207 PolarHBondContact O-N 2.99Å; D204-R208 WeakPolarHBondContact O-CB 3.42Å; D204-R208 PolarHBondContact O-N 3.45Å |
| 205 | D | 87.1 | Confident | 88.6 | Confident | 99 Ų | 99 | 46 Ų | 46 | 53% | 0.529 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.8 | -41.4 | -175.5 | -63.5 | -33.3 | 0 | 0 | 0 | 113.1 | Q203 T209 | Q203-D205 PolarHBondContact O-N 2.9Å; D205-T209 PolarHBondContact O-N 3.01Å; D205-T209 PolarHBondContact O-OG1 3.16Å |
| 206 | A | 89.8 | Confident | 89.2 | Confident | 29 Ų | 29 | 46 Ų | 46 | 24% | 0.24 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.2 | -39.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L174 F201 Q203 T209 A210 | L174-A206 HydrophobicContact CD2-CB 4.2Å; F201-A206 HydrophobicContact CE1-CB 3.94Å; F201-A206 HydrophobicContact CZ-CB 4.4Å; Q203-A206 HydrophobicContact CB-CB 4.5Å; Q203-A206 HydrophobicContact CG-CB 4.43Å; Q203-A206 PolarHBondContact O-N 3.28Å; A206-T209 PolarHBondContact O-N 3.4Å; A206-A210 PolarHBondContact O-N 2.85Å; A206-A210 VanDerWaalsContact O-N 3.13Å |
| 207 | L | 90.8 | Very high | 89.8 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.7 | -48.7 | 174.1 | -169 | 61.6 | 0 | 0 | 0 | 110.4 | F171 P196 Q203 D204 T209 A210 W211 | F171-L207 HydrophobicContact CE2-CD1 3.86Å; P196-L207 HydrophobicContact CB-CD2 4.27Å; Q203-L207 WeakPolarHBondContact O-CB 3.19Å; Q203-L207 PolarHBondContact O-N 2.76Å; D204-L207 PolarHBondContact O-N 2.99Å; L207-T209 VanDerWaalsContact C-N 3.27Å; L207-T209 PolarHBondContact O-N 2.82Å; L207-A210 WeakPolarHBondContact O-CA 3.26Å; L207-A210 WeakPolarHBondContact O-CB 3.14Å; L207-A210 PolarHBondContact O-N 2.96Å; L207-W211 PolarHBondContact O-N 2.99Å; L207-W211 VanDerWaalsContact O-N 3.12Å |
| 208 | R | 91.4 | Very high | 90.4 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -50.9 | -46.9 | 174.2 | 176.1 | 178.5 | 176.1 | 101.2 | -1.6 | 111.3 | T57 N58 F60 Y62 D204 A210 W211 L212 | T57-R208 PolarHBondContact O-NH2 3.21Å; N58-R208 WeakPolarHBondContact OD1-CD 3.39Å; N58-R208 VanDerWaalsContact OD1-CZ 3.27Å; N58-R208 PolarHBondContact OD1-NE 3.48Å; N58-R208 PolarHBondContact OD1-NH1 2.98Å; F60-R208 PolarHBondContact O-NH1 3.45Å; Y62-R208 HydrophobicContact CD1-CG 4.11Å; Y62-R208 HydrophobicContact CE1-CB 4.12Å; Y62-R208 HydrophobicContact CE1-CG 3.97Å; D204-R208 WeakPolarHBondContact O-CB 3.42Å; D204-R208 PolarHBondContact O-N 3.45Å; R208-A210 VanDerWaalsContact C-N 3.28Å; R208-A210 PolarHBondContact O-N 3.3Å; R208-W211 PolarHBondContact O-N 3.47Å; R208-W211 VanDerWaalsContact O-N 3.15Å; R208-L212 HydrophobicContact CG-CD1 3.84Å; R208-L212 WeakPolarHBondContact O-CD1 3.36Å; R208-L212 VanDerWaalsContact O-CG 3.26Å; R208-L212 WeakPolarHBondContact O-CG 3.44Å |
| 209 | T | 91.6 | Very high | 91 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 33% | 0.331 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 177.9 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | R168 D205 A206 L207 W211 L212 | R168-T209 WeakPolarHBondContact CD-O 3.38Å; R168-T209 PolarHBondContact NE-O 2.96Å; D205-T209 PolarHBondContact O-N 3.01Å; D205-T209 PolarHBondContact O-OG1 3.16Å; A206-T209 PolarHBondContact O-N 3.4Å; L207-T209 VanDerWaalsContact C-N 3.27Å; L207-T209 PolarHBondContact O-N 2.82Å; T209-W211 VanDerWaalsContact C-N 3.26Å; T209-W211 PolarHBondContact O-N 2.62Å; T209-L212 PolarHBondContact O-N 3.48Å |
| 210 | A | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.1 | -22.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q167 R168 Y170 F171 L174 A206 L207 R208 | Q167-A210 CarbonylContact C-O 3.43Å; Q167-A210 WeakPolarHBondContact CA-O 3.35Å; R168-A210 PolarHBondContact N-O 3.4Å; Y170-A210 HydrophobicContact CE2-CB 3.91Å; F171-A210 HydrophobicContact CD2-CB 3.8Å; L174-A210 HydrophobicContact CD2-CB 4.03Å; A206-A210 PolarHBondContact O-N 2.85Å; A206-A210 VanDerWaalsContact O-N 3.13Å; L207-A210 WeakPolarHBondContact O-CA 3.26Å; L207-A210 WeakPolarHBondContact O-CB 3.14Å; L207-A210 PolarHBondContact O-N 2.96Å; R208-A210 VanDerWaalsContact C-N 3.28Å; R208-A210 PolarHBondContact O-N 3.3Å |
| 211 | W | 93 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1.5 | 174 | -78.5 | 97.8 | 0 | 0 | 0 | 115 | Y62 Q64 R65 F67 G165 F166 Q167 F171 P195 P196 L207 R208 T209 | Y62-W211 HydrophobicContact CD2-CB 3.91Å; Y62-W211 HydrophobicContact CD2-CD2 4.49Å; Y62-W211 HydrophobicContact CD2-CG 4.19Å; Y62-W211 HydrophobicContact CE2-CB 3.7Å; Y62-W211 AromaticContact CE2-CD1 3.82Å; Y62-W211 AromaticContact CE2-CD2 3.9Å; Y62-W211 HydrophobicContact CE2-CD2 3.9Å; Y62-W211 HydrophobicContact CE2-CE3 4.47Å; Y62-W211 AromaticContact CE2-CG 3.56Å; Y62-W211 HydrophobicContact CE2-CG 3.56Å; Q64-W211 HydrophobicContact CB-CH2 4.32Å; Q64-W211 HydrophobicContact CB-CZ3 4.45Å; R65-W211 HydrophobicContact CB-CZ3 4.09Å; R65-W211 WeakPolarHBondContact O-CH2 3.47Å; R65-W211 WeakPolarHBondContact O-CZ3 3.46Å; F67-W211 HydrophobicContact CD1-CH2 4.11Å; F67-W211 HydrophobicContact CD1-CZ2 4.25Å; F67-W211 HydrophobicContact CE1-CZ2 4.29Å; G165-W211 CarbonylContact C-O 3.59Å; G165-W211 WeakPolarHBondContact CA-O 3.41Å; F166-W211 CarbonylContact C-O 3.21Å; F166-W211 PolarHBondContact N-O 3.49Å; F166-W211 CarbonylContact O-C 3.54Å; Q167-W211 HydrophobicContact CG-CD2 4.44Å; Q167-W211 HydrophobicContact CG-CE3 4.05Å; Q167-W211 HydrophobicContact CG-CZ3 4.17Å; Q167-W211 VanDerWaalsContact NE2-CZ3 3.32Å; F171-W211 AromaticContact CE2-CD1 3.81Å; F171-W211 HydrophobicContact CE2-CD2 4.18Å; F171-W211 AromaticContact CE2-CE2 3.64Å; F171-W211 HydrophobicContact CE2-CG 4.27Å; F171-W211 HydrophobicContact CE2-CZ2 4.15Å; F171-W211 AromaticContact CE2-NE1 3.37Å; F171-W211 AromaticContact CZ-CE2 3.81Å; F171-W211 AromaticContact CZ-CZ2 3.82Å; F171-W211 HydrophobicContact CZ-CZ2 3.82Å; F171-W211 AromaticContact CZ-NE1 3.88Å; P195-W211 HydrophobicContact CB-CH2 3.72Å; P195-W211 HydrophobicContact CB-CZ2 4.01Å; P195-W211 HydrophobicContact CG-CH2 4.42Å; P196-W211 HydrophobicContact CG-CZ2 4.43Å; L207-W211 PolarHBondContact O-N 2.99Å; L207-W211 VanDerWaalsContact O-N 3.12Å; R208-W211 PolarHBondContact O-N 3.47Å; R208-W211 VanDerWaalsContact O-N 3.15Å; T209-W211 VanDerWaalsContact C-N 3.26Å; T209-W211 PolarHBondContact O-N 2.62Å |
| 212 | L | 93.8 | Very high | 92.5 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | trans | -123 | 63 | -171 | -60.8 | 172.3 | 0 | 0 | 0 | 111.9 | K161 L162 R168 R208 T209 | K161-L212 HydrophobicContact CB-CB 4.33Å; K161-L212 HydrophobicContact CB-CD2 3.94Å; K161-L212 HydrophobicContact CD-CB 4.32Å; K161-L212 PolarHBondContact NZ-O 3.38Å; K161-L212 VanDerWaalsContact NZ-O 3.16Å; K161-L212 WeakPolarHBondContact O-CD2 3.35Å; L162-L212 HydrophobicContact CD2-CD2 4.13Å; R168-L212 PolarHBondContact NE-O 2.83Å; R168-L212 PolarHBondContact NH2-O 3.39Å; R208-L212 HydrophobicContact CG-CD1 3.84Å; R208-L212 WeakPolarHBondContact O-CD1 3.36Å; R208-L212 VanDerWaalsContact O-CG 3.26Å; R208-L212 WeakPolarHBondContact O-CG 3.44Å; T209-L212 PolarHBondContact O-N 3.48Å | ||
| 213 | S | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -81.4 | -57.9 | 178.7 | 66.3 | 0 | 0 | 0 | 0 | 113.2 | F166 Q167 P215 | F166-S213 VanDerWaalsContact C-OG 3.3Å; F166-S213 WeakPolarHBondContact CB-OG 3.33Å; F166-S213 PolarHBondContact O-N 3.49Å; F166-S213 PolarHBondContact O-OG 3.46Å; Q167-S213 WeakPolarHBondContact O-CB 3.24Å; Q167-S213 PolarHBondContact O-OG 2.91Å; Q167-S213 VanDerWaalsContact O-OG 3.08Å; S213-P215 CarbonylContact O-C 2.91Å | ||
| 214 | F | 95.2 | Very high | 94.1 | Very high | 42 Ų | 42 | 19.1 Ų | 19.1 | 18% | 0.184 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -94.5 | 134.5 | -166.8 | 179.8 | -91.2 | 0 | 0 | 0 | 113.9 | I160 K161 T164 F166 D274 V277 | I160-F214 HydrophobicContact CG2-CD1 4.09Å; I160-F214 HydrophobicContact CG2-CE1 4.07Å; K161-F214 WeakPolarHBondContact CA-O 3.32Å; K161-F214 WeakPolarHBondContact CG-O 3.43Å; T164-F214 HydrophobicContact CG2-CD1 4.32Å; T164-F214 PolarHBondContact OG1-O 3.25Å; F166-F214 HydrophobicContact CB-CB 3.97Å; F166-F214 HydrophobicContact CD2-CB 3.72Å; F166-F214 HydrophobicContact CD2-CD1 4.13Å; F166-F214 HydrophobicContact CD2-CG 4.09Å; F166-F214 HydrophobicContact CE2-CB 4.49Å; F166-F214 HydrophobicContact CE2-CD1 4.23Å; F166-F214 HydrophobicContact CE2-CG 4.4Å; F166-F214 HydrophobicContact CG-CB 4.13Å; F214-D274 HydrophobicContact CD2-CB 4.35Å; F214-D274 WeakPolarHBondContact CD2-OD1 3.32Å; F214-V277 HydrophobicContact CE2-CB 3.87Å; F214-V277 HydrophobicContact CE2-CG1 4.06Å; F214-V277 HydrophobicContact CE2-CG2 3.72Å; F214-V277 HydrophobicContact CZ-CB 4.1Å; F214-V277 HydrophobicContact CZ-CG1 3.77Å; F214-V277 HydrophobicContact CZ-CG2 4Å |
| 215 | P | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | cis | -83.6 | 168.4 | -11.9 | 33.1 | -34.8 | 0 | 0 | 0 | 111.7 | V157 I160 K161 S213 L217 V277 I281 | V157-P215 HydrophobicContact CB-CG 4.4Å; V157-P215 HydrophobicContact CG1-CG 4.09Å; V157-P215 HydrophobicContact CG2-CG 4.15Å; I160-P215 HydrophobicContact CB-CG 4.42Å; I160-P215 HydrophobicContact CD1-CG 4.41Å; I160-P215 VanDerWaalsContact CG2-CD 3.49Å; I160-P215 HydrophobicContact CG2-CG 4.33Å; K161-P215 WeakPolarHBondContact CE-O 3.43Å; K161-P215 PolarHBondContact NZ-O 3.37Å; S213-P215 CarbonylContact O-C 2.91Å; P215-L217 PolarHBondContact O-N 3.18Å; P215-V277 HydrophobicContact CB-CB 4.37Å; P215-V277 HydrophobicContact CB-CG1 4.03Å; P215-I281 HydrophobicContact CB-CD1 4.17Å; P215-I281 HydrophobicContact CG-CD1 3.78Å |
| 216 | S | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 117.9 | -178.2 | -177.8 | 0 | 0 | 0 | 0 | 112.6 | A219 A220 N270 D274 | S216-A219 PolarHBondContact O-N 2.97Å; S216-A219 PolarHBondContact OG-N 3.38Å; S216-A220 PolarHBondContact O-N 3.33Å; S216-N270 WeakPolarHBondContact CB-ND2 3.08Å; S216-N270 PolarHBondContact OG-ND2 3.12Å; S216-D274 WeakPolarHBondContact CB-O 3.26Å; S216-D274 PolarHBondContact N-O 3.35Å |
| 217 | L | 96.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 174.7 | -179.1 | 66.1 | 0 | 0 | 0 | 112 | Y90 Y94 C154 V157 P215 A219 A220 L221 | Y90-L217 HydrophobicContact CD1-CD2 4.39Å; Y90-L217 HydrophobicContact CE1-CD2 4.13Å; Y94-L217 HydrophobicContact CE1-CD2 4.37Å; Y94-L217 WeakPolarHBondContact OH-CD2 3.22Å; C154-L217 HydrophobicContact CB-CD1 4.44Å; V157-L217 HydrophobicContact CB-CD1 4.14Å; V157-L217 HydrophobicContact CG1-CB 3.92Å; V157-L217 HydrophobicContact CG1-CD1 3.95Å; P215-L217 PolarHBondContact O-N 3.18Å; L217-A219 VanDerWaalsContact C-N 3.27Å; L217-A219 PolarHBondContact O-N 3.46Å; L217-A220 PolarHBondContact O-N 3.32Å; L217-L221 HydrophobicContact CD1-CB 4.49Å; L217-L221 WeakPolarHBondContact O-CB 3.48Å; L217-L221 PolarHBondContact O-N 2.91Å |
| 218 | H | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -55.3 | -44.7 | 174.4 | -76.8 | 64.6 | 0 | 0 | 0 | 111.4 | V88 Y90 L93 S222 F264 | V88-H218 PolarHBondContact O-NE2 2.69Å; Y90-H218 AromaticContact CD1-CE1 3.55Å; Y90-H218 AromaticContact CE1-CE1 3.36Å; Y90-H218 WeakPolarHBondContact CE1-CE1 3.23Å; Y90-H218 AromaticContact CE1-ND1 3.68Å; Y90-H218 AromaticContact CZ-CE1 3.78Å; L93-H218 HydrophobicContact CD2-CB 4.35Å; H218-S222 WeakPolarHBondContact O-CB 3.48Å; H218-S222 PolarHBondContact O-N 3.06Å; H218-S222 PolarHBondContact O-OG 3.48Å; H218-F264 AromaticContact CD2-CD2 3.84Å; H218-F264 AromaticContact CD2-CE2 3.78Å; H218-F264 AromaticContact CE1-CE1 3.44Å; H218-F264 VanDerWaalsContact CE1-CE1 3.44Å; H218-F264 WeakPolarHBondContact CE1-CE1 3.27Å; H218-F264 AromaticContact CE1-CE2 3.42Å; H218-F264 VanDerWaalsContact CE1-CE2 3.42Å; H218-F264 WeakPolarHBondContact CE1-CE2 3.28Å; H218-F264 AromaticContact CE1-CZ 3.08Å; H218-F264 WeakPolarHBondContact CE1-CZ 3.2Å; H218-F264 AromaticContact ND1-CD1 3.95Å; H218-F264 AromaticContact ND1-CE1 3.68Å; H218-F264 AromaticContact ND1-CZ 3.77Å; H218-F264 AromaticContact NE2-CD2 3.75Å; H218-F264 AromaticContact NE2-CE2 3.19Å; H218-F264 WeakPolarHBondContact NE2-CE2 3.49Å; H218-F264 AromaticContact NE2-CZ 3.39Å; H218-F264 WeakPolarHBondContact NE2-CZ 3.41Å |
| 219 | A | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -67.9 | -48.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S216 L217 S222 S223 S261 V275 W279 | S216-A219 PolarHBondContact O-N 2.97Å; S216-A219 PolarHBondContact OG-N 3.38Å; L217-A219 VanDerWaalsContact C-N 3.27Å; L217-A219 PolarHBondContact O-N 3.46Å; A219-S222 PolarHBondContact O-OG 3.24Å; A219-S223 VanDerWaalsContact O-CB 3.25Å; A219-S223 WeakPolarHBondContact O-CB 3.43Å; A219-S223 PolarHBondContact O-N 3Å; A219-S223 PolarHBondContact O-OG 3.43Å; A219-S261 WeakPolarHBondContact CA-OG 3.18Å; A219-S261 WeakPolarHBondContact CB-OG 3.49Å; A219-V275 HydrophobicContact CB-CB 4.33Å; A219-V275 HydrophobicContact CB-CG1 3.95Å; A219-V275 WeakPolarHBondContact CB-O 3.41Å; A219-W279 HydrophobicContact CB-CG 4.33Å |
| 220 | A | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -66 | -48.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V153 V157 S216 L217 S223 Y224 G278 G282 | V153-A220 HydrophobicContact CG1-CB 3.78Å; V157-A220 HydrophobicContact CG2-CB 3.58Å; S216-A220 PolarHBondContact O-N 3.33Å; L217-A220 PolarHBondContact O-N 3.32Å; A220-S223 PolarHBondContact O-OG 2.91Å; A220-Y224 VanDerWaalsContact O-CB 3.26Å; A220-Y224 WeakPolarHBondContact O-CB 3.36Å; A220-Y224 PolarHBondContact O-N 3.49Å; A220-G278 WeakPolarHBondContact CA-O 3.45Å; A220-G278 WeakPolarHBondContact CB-O 3.33Å; A220-G282 WeakPolarHBondContact O-CA 3.33Å |
| 221 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -70.3 | -42.9 | -178.4 | 179.5 | 59.4 | 0 | 0 | 0 | 111.4 | L93 Y94 F98 A150 L217 Y224 A225 | L93-L221 HydrophobicContact CD2-CD2 4.17Å; L93-L221 HydrophobicContact CG-CD2 4.15Å; Y94-L221 HydrophobicContact CD1-CD2 3.7Å; Y94-L221 HydrophobicContact CE1-CD2 3.89Å; F98-L221 HydrophobicContact CE2-CD2 4.42Å; A150-L221 HydrophobicContact CB-CD1 4.17Å; L217-L221 HydrophobicContact CD1-CB 4.49Å; L217-L221 WeakPolarHBondContact O-CB 3.48Å; L217-L221 PolarHBondContact O-N 2.91Å; L221-Y224 PolarHBondContact O-N 3.01Å; L221-A225 WeakPolarHBondContact O-CB 3.45Å; L221-A225 PolarHBondContact O-N 2.75Å |
| 222 | S | 97.9 | Very high | 96.2 | Very high | 9 Ų | 9 | 7.4 Ų | 7.4 | 6% | 0.063 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -69 | -38.4 | -179.5 | 72.5 | 0 | 0 | 0 | 0 | 112.3 | H218 A219 A225 A226 S257 | H218-S222 WeakPolarHBondContact O-CB 3.48Å; H218-S222 PolarHBondContact O-N 3.06Å; H218-S222 PolarHBondContact O-OG 3.48Å; A219-S222 PolarHBondContact O-OG 3.24Å; S222-A225 PolarHBondContact O-N 3Å; S222-A226 WeakPolarHBondContact O-CB 3.44Å; S222-A226 PolarHBondContact O-N 3.31Å; S222-S257 PolarHBondContact OG-O 2.89Å; S222-S257 PolarHBondContact OG-OG 2.82Å |
| 223 | S | 98 | Very high | 96 | Very high | 4 Ų | 4 | 6.8 Ų | 6.8 | 3% | 0.028 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -69.9 | -40 | 177.3 | 69.2 | 0 | 0 | 0 | 0 | 111.2 | A219 A220 A226 I227 S257 W279 G282 | A219-S223 VanDerWaalsContact O-CB 3.25Å; A219-S223 WeakPolarHBondContact O-CB 3.43Å; A219-S223 PolarHBondContact O-N 3Å; A219-S223 PolarHBondContact O-OG 3.43Å; A220-S223 PolarHBondContact O-OG 2.91Å; S223-A226 PolarHBondContact O-N 3.33Å; S223-I227 VanDerWaalsContact O-CB 3.27Å; S223-I227 WeakPolarHBondContact O-CB 3.4Å; S223-I227 WeakPolarHBondContact O-CD1 3.48Å; S223-I227 WeakPolarHBondContact O-CG1 3.16Å; S223-I227 PolarHBondContact O-N 3.33Å; S223-S257 WeakPolarHBondContact CA-OG 3.38Å; S223-S257 PolarHBondContact N-OG 2.95Å; S223-S257 VanDerWaalsContact N-OG 3.16Å; S223-W279 PolarHBondContact OG-O 3.46Å; S223-G282 WeakPolarHBondContact OG-CA 3.15Å |
| 224 | Y | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -55.8 | -53.6 | 171.9 | 172.5 | -98.7 | 0 | 0 | 0 | 111 | F146 G149 A150 V153 A220 L221 A226 I227 F228 A285 A286 L289 | F146-Y224 WeakPolarHBondContact CA-OH 3.32Å; F146-Y224 AromaticContact CD2-CE1 3.73Å; F146-Y224 HydrophobicContact CD2-CE1 3.73Å; F146-Y224 HydrophobicContact CE2-CD1 4.06Å; F146-Y224 AromaticContact CE2-CE1 3.46Å; F146-Y224 HydrophobicContact CE2-CE1 3.46Å; F146-Y224 VanDerWaalsContact CE2-CE1 3.46Å; F146-Y224 HydrophobicContact CZ-CE1 4.18Å; F146-Y224 PolarHBondContact O-OH 3.31Å; G149-Y224 WeakPolarHBondContact CA-OH 3.43Å; A150-Y224 HydrophobicContact CB-CD1 4.06Å; A150-Y224 HydrophobicContact CB-CE1 3.71Å; A150-Y224 VanDerWaalsContact N-CE1 3.26Å; V153-Y224 HydrophobicContact CG2-CD2 4.05Å; V153-Y224 HydrophobicContact CG2-CG 4.15Å; A220-Y224 VanDerWaalsContact O-CB 3.26Å; A220-Y224 WeakPolarHBondContact O-CB 3.36Å; A220-Y224 PolarHBondContact O-N 3.49Å; L221-Y224 PolarHBondContact O-N 3.01Å; Y224-A226 PolarHBondContact O-N 3.45Å; Y224-I227 PolarHBondContact O-N 3.33Å; Y224-F228 HydrophobicContact CE2-CD2 4.41Å; Y224-F228 WeakPolarHBondContact O-CB 3.4Å; Y224-F228 PolarHBondContact O-N 2.85Å; Y224-A285 HydrophobicContact CD2-CB 4.05Å; Y224-A285 HydrophobicContact CE2-CB 4.39Å; Y224-A286 HydrophobicContact CD2-CB 3.83Å; Y224-A286 HydrophobicContact CE2-CB 4.22Å; Y224-L289 HydrophobicContact CE2-CD1 4.02Å |
| 225 | A | 98 | Very high | 95 | Very high | 7 Ų | 7 | 16.6 Ų | 16.6 | 6% | 0.058 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P101 F146 L221 S222 T229 | P101-A225 HydrophobicContact CG-CB 4.03Å; F146-A225 HydrophobicContact CE2-CB 4.41Å; F146-A225 HydrophobicContact CZ-CB 4.33Å; L221-A225 WeakPolarHBondContact O-CB 3.45Å; L221-A225 PolarHBondContact O-N 2.75Å; S222-A225 PolarHBondContact O-N 3Å; A225-T229 VanDerWaalsContact O-CB 3.26Å; A225-T229 WeakPolarHBondContact O-CB 3.32Å; A225-T229 PolarHBondContact O-N 3.39Å; A225-T229 PolarHBondContact O-OG1 3.39Å |
| 226 | A | 97.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 18.1 Ų | 18.1 | 5% | 0.05 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.8 | -46.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S222 S223 Y224 S230 F253 L254 | S222-A226 WeakPolarHBondContact O-CB 3.44Å; S222-A226 PolarHBondContact O-N 3.31Å; S223-A226 PolarHBondContact O-N 3.33Å; Y224-A226 PolarHBondContact O-N 3.45Å; A226-S230 WeakPolarHBondContact O-CB 3.38Å; A226-S230 PolarHBondContact O-N 3Å; A226-S230 PolarHBondContact O-OG 3.48Å; A226-F253 HydrophobicContact CB-CB 4.05Å; A226-F253 VanDerWaalsContact CB-O 3.27Å; A226-F253 WeakPolarHBondContact CB-O 3.08Å; A226-L254 HydrophobicContact CB-CD2 4.32Å |
| 227 | I | 97.4 | Very high | 93.1 | Very high | 24 Ų | 24 | 19.6 Ų | 19.6 | 12% | 0.123 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.1 | -45.2 | -178.3 | -66.3 | 166.4 | 0 | 0 | 0 | 110.2 | S223 Y224 T229 S230 C231 L254 A283 A286 F287 | S223-I227 VanDerWaalsContact O-CB 3.27Å; S223-I227 WeakPolarHBondContact O-CB 3.4Å; S223-I227 WeakPolarHBondContact O-CD1 3.48Å; S223-I227 WeakPolarHBondContact O-CG1 3.16Å; S223-I227 PolarHBondContact O-N 3.33Å; Y224-I227 PolarHBondContact O-N 3.33Å; I227-T229 VanDerWaalsContact C-N 3.34Å; I227-T229 PolarHBondContact O-N 2.9Å; I227-S230 PolarHBondContact O-N 3.42Å; I227-C231 WeakPolarHBondContact O-CB 3.28Å; I227-C231 PolarHBondContact O-N 3.4Å; I227-C231 PolarHBondContact O-SG 2.87Å; I227-C231 VanDerWaalsContact O-SG 3.33Å; I227-L254 HydrophobicContact CG1-CD2 4.02Å; I227-A283 HydrophobicContact CD1-CB 3.47Å; I227-A283 VanDerWaalsContact CD1-CB 3.47Å; I227-A286 HydrophobicContact CB-CB 3.81Å; I227-A286 HydrophobicContact CG2-CB 3.63Å; I227-F287 HydrophobicContact CG2-CE1 4.22Å; I227-F287 HydrophobicContact CG2-CE2 4.29Å; I227-F287 HydrophobicContact CG2-CZ 4.07Å |
| 228 | F | 96.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 177.6 | -172.4 | -80.3 | 0 | 0 | 0 | 111.3 | I105 F146 Y224 C231 Y232 A286 L289 C290 | I105-F228 HydrophobicContact CD1-CE1 4.17Å; F146-F228 HydrophobicContact CB-CD1 4.29Å; F146-F228 HydrophobicContact CB-CE1 3.78Å; F146-F228 HydrophobicContact CB-CZ 3.96Å; F146-F228 HydrophobicContact CD2-CB 4.25Å; F146-F228 AromaticContact CD2-CD1 3.48Å; F146-F228 HydrophobicContact CD2-CD1 3.48Å; F146-F228 VanDerWaalsContact CD2-CD1 3.48Å; F146-F228 HydrophobicContact CD2-CD2 4.43Å; F146-F228 AromaticContact CD2-CE1 3.87Å; F146-F228 HydrophobicContact CD2-CE1 3.87Å; F146-F228 AromaticContact CD2-CG 3.8Å; F146-F228 HydrophobicContact CD2-CG 3.8Å; F146-F228 HydrophobicContact CD2-CZ 4.48Å; F146-F228 HydrophobicContact CE2-CB 4.42Å; F146-F228 HydrophobicContact CE2-CD1 4.3Å; F146-F228 HydrophobicContact CE2-CG 4.45Å; F146-F228 HydrophobicContact CG-CD1 4.28Å; F146-F228 HydrophobicContact CG-CE1 4.24Å; Y224-F228 HydrophobicContact CE2-CD2 4.41Å; Y224-F228 WeakPolarHBondContact O-CB 3.4Å; Y224-F228 PolarHBondContact O-N 2.85Å; F228-C231 PolarHBondContact O-N 3.47Å; F228-Y232 WeakPolarHBondContact O-CB 3.5Å; F228-Y232 PolarHBondContact O-N 3.43Å; F228-A286 HydrophobicContact CB-CB 4.42Å; F228-L289 HydrophobicContact CE2-CB 4.34Å; F228-C290 VanDerWaalsContact CD2-SG 3.52Å |
| 229 | T | 95.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 177.2 | -52 | 0 | 0 | 0 | 0 | 111.5 | P101 V104 A225 I227 Y232 V233 F253 | P101-T229 WeakPolarHBondContact CB-OG1 3.34Å; P101-T229 VanDerWaalsContact CG-OG1 3.32Å; P101-T229 WeakPolarHBondContact CG-OG1 3.24Å; V104-T229 HydrophobicContact CB-CG2 3.94Å; V104-T229 HydrophobicContact CG1-CG2 3.75Å; V104-T229 HydrophobicContact CG2-CG2 4.04Å; A225-T229 VanDerWaalsContact O-CB 3.26Å; A225-T229 WeakPolarHBondContact O-CB 3.32Å; A225-T229 PolarHBondContact O-N 3.39Å; A225-T229 PolarHBondContact O-OG1 3.39Å; I227-T229 VanDerWaalsContact C-N 3.34Å; I227-T229 PolarHBondContact O-N 2.9Å; T229-Y232 PolarHBondContact O-N 2.97Å; T229-V233 HydrophobicContact CG2-CG2 4.48Å; T229-V233 WeakPolarHBondContact O-CB 3.17Å; T229-V233 WeakPolarHBondContact O-CG2 3.08Å; T229-V233 PolarHBondContact O-N 2.94Å; T229-F253 HydrophobicContact CG2-CD1 4.42Å; T229-F253 HydrophobicContact CG2-CD2 3.86Å; T229-F253 HydrophobicContact CG2-CE1 4.12Å; T229-F253 HydrophobicContact CG2-CE2 3.52Å; T229-F253 HydrophobicContact CG2-CG 4.33Å; T229-F253 HydrophobicContact CG2-CZ 3.67Å |
| 230 | S | 94.7 | Very high | 88.4 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 177.8 | -66.6 | 0 | 0 | 0 | 0 | 112 | A226 I227 V233 H234 | A226-S230 WeakPolarHBondContact O-CB 3.38Å; A226-S230 PolarHBondContact O-N 3Å; A226-S230 PolarHBondContact O-OG 3.48Å; I227-S230 PolarHBondContact O-N 3.42Å; S230-V233 PolarHBondContact O-N 3.16Å; S230-H234 WeakPolarHBondContact O-CB 2.73Å; S230-H234 PolarHBondContact O-N 3.05Å |
| 231 | C | 93 | Very high | 87 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 15% | 0.149 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.7 | -53.3 | 172 | -72.5 | 0 | 0 | 0 | 0 | 109.9 | I227 F228 V233 H234 Y235 C290 | I227-C231 WeakPolarHBondContact O-CB 3.28Å; I227-C231 PolarHBondContact O-N 3.4Å; I227-C231 PolarHBondContact O-SG 2.87Å; I227-C231 VanDerWaalsContact O-SG 3.33Å; F228-C231 PolarHBondContact O-N 3.47Å; C231-V233 VanDerWaalsContact C-N 3.33Å; C231-V233 PolarHBondContact O-N 2.93Å; C231-H234 WeakPolarHBondContact O-CB 3.37Å; C231-H234 PolarHBondContact O-N 3.19Å; C231-Y235 WeakPolarHBondContact O-CD2 3.23Å; C231-Y235 PolarHBondContact O-N 2.8Å; C231-Y235 VanDerWaalsContact O-N 3.09Å; C231-C290 HydrophobicContact CB-CB 4.13Å; C231-C290 WeakPolarHBondContact CB-SG 3.49Å |
| 232 | Y | 90.7 | Very high | 86.2 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 4% | 0.039 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.8 | -47.9 | 178.9 | 179.6 | -93 | 0 | 0 | 0 | 112.5 | V104 I105 E109 F142 F228 T229 H234 Y235 M236 | V104-Y232 HydrophobicContact CG1-CD1 4.33Å; I105-Y232 HydrophobicContact CB-CE1 4.27Å; I105-Y232 HydrophobicContact CB-CE2 4.46Å; I105-Y232 HydrophobicContact CG1-CD1 4.07Å; I105-Y232 HydrophobicContact CG1-CD2 4.12Å; I105-Y232 HydrophobicContact CG1-CE1 4.06Å; I105-Y232 HydrophobicContact CG1-CE2 4.09Å; I105-Y232 HydrophobicContact CG1-CG 4.11Å; I105-Y232 HydrophobicContact CG2-CE2 4.1Å; I105-Y232 PolarHBondContact O-OH 2.95Å; E109-Y232 PolarHBondContact N-OH 2.83Å; E109-Y232 PolarHBondContact OE1-OH 3.34Å; F142-Y232 HydrophobicContact CD1-CD2 4.01Å; F142-Y232 HydrophobicContact CD1-CE2 4.03Å; F142-Y232 AromaticContact CD2-CE2 3.97Å; F142-Y232 HydrophobicContact CD2-CE2 3.97Å; F142-Y232 HydrophobicContact CE1-CD2 4.09Å; F142-Y232 HydrophobicContact CE1-CE2 4.12Å; F142-Y232 HydrophobicContact CE2-CE2 4.07Å; F142-Y232 HydrophobicContact CG-CD2 4.38Å; F142-Y232 AromaticContact CG-CE2 3.97Å; F142-Y232 HydrophobicContact CG-CE2 3.97Å; F142-Y232 HydrophobicContact CZ-CE2 4.17Å; F228-Y232 WeakPolarHBondContact O-CB 3.5Å; F228-Y232 PolarHBondContact O-N 3.43Å; T229-Y232 PolarHBondContact O-N 2.97Å; Y232-H234 VanDerWaalsContact C-N 3.33Å; Y232-H234 PolarHBondContact O-N 3.07Å; Y232-Y235 PolarHBondContact O-N 3.05Å; Y232-M236 HydrophobicContact CD1-CG 4.4Å; Y232-M236 HydrophobicContact CD2-CG 4.08Å; Y232-M236 HydrophobicContact CE1-CB 4.16Å; Y232-M236 HydrophobicContact CE1-CG 3.95Å; Y232-M236 HydrophobicContact CE2-CE 4.05Å; Y232-M236 HydrophobicContact CE2-CG 3.61Å; Y232-M236 HydrophobicContact CG-CG 4.45Å; Y232-M236 WeakPolarHBondContact O-CB 3.32Å; Y232-M236 PolarHBondContact O-N 3.38Å |
| 233 | V | 89.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -43.5 | 176.4 | 161.6 | 0 | 0 | 0 | 0 | 111.6 | V104 T229 S230 C231 Y235 I237 L249 F253 | V104-V233 HydrophobicContact CG1-CG2 3.73Å; T229-V233 HydrophobicContact CG2-CG2 4.48Å; T229-V233 WeakPolarHBondContact O-CB 3.17Å; T229-V233 WeakPolarHBondContact O-CG2 3.08Å; T229-V233 PolarHBondContact O-N 2.94Å; S230-V233 PolarHBondContact O-N 3.16Å; C231-V233 VanDerWaalsContact C-N 3.33Å; C231-V233 PolarHBondContact O-N 2.93Å; V233-Y235 VanDerWaalsContact C-N 3.29Å; V233-Y235 PolarHBondContact O-N 3.38Å; V233-I237 HydrophobicContact CB-CD1 4.35Å; V233-I237 HydrophobicContact CG1-CD1 3.78Å; V233-I237 HydrophobicContact CG1-CG1 4.16Å; V233-I237 HydrophobicContact CG2-CD1 4.15Å; V233-I237 VanDerWaalsContact O-CB 3.28Å; V233-I237 WeakPolarHBondContact O-CB 3.28Å; V233-I237 WeakPolarHBondContact O-CG1 3.35Å; V233-I237 PolarHBondContact O-N 2.89Å; V233-L249 HydrophobicContact CG1-CB 4.15Å; V233-L249 HydrophobicContact CG1-CD1 4.08Å; V233-F253 HydrophobicContact CG2-CE2 4.15Å |
| 234 | H | 87 | Confident | 85 | Confident | 112 Ų | 112 | 49.4 Ų | 49.4 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | -179.9 | -162.6 | 77.6 | 0 | 0 | 0 | 112.3 | S230 C231 Y232 | S230-H234 WeakPolarHBondContact O-CB 2.73Å; S230-H234 PolarHBondContact O-N 3.05Å; C231-H234 WeakPolarHBondContact O-CB 3.37Å; C231-H234 PolarHBondContact O-N 3.19Å; Y232-H234 VanDerWaalsContact C-N 3.33Å; Y232-H234 PolarHBondContact O-N 3.07Å |
| 235 | Y | 81.8 | Confident | 84.5 | Confident | 137 Ų | 137 | 52.4 Ų | 52.4 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -82 | -39 | -179.8 | -73.4 | -77.1 | 0 | 0 | 0 | 113.9 | C231 Y232 V233 L294 | C231-Y235 WeakPolarHBondContact O-CD2 3.23Å; C231-Y235 PolarHBondContact O-N 2.8Å; C231-Y235 VanDerWaalsContact O-N 3.09Å; Y232-Y235 PolarHBondContact O-N 3.05Å; V233-Y235 VanDerWaalsContact C-N 3.29Å; V233-Y235 PolarHBondContact O-N 3.38Å; Y235-L294 HydrophobicContact CD1-CD2 4.04Å; Y235-L294 HydrophobicContact CD2-CD1 3.35Å; Y235-L294 HydrophobicContact CD2-CD2 3.5Å; Y235-L294 VanDerWaalsContact CD2-CD2 3.5Å; Y235-L294 HydrophobicContact CD2-CG 4.06Å; Y235-L294 HydrophobicContact CE1-CD1 4.3Å; Y235-L294 HydrophobicContact CE1-CD2 4.46Å; Y235-L294 HydrophobicContact CE2-CD1 3.06Å; Y235-L294 HydrophobicContact CE2-CD2 4.06Å; Y235-L294 HydrophobicContact CE2-CG 4.15Å; Y235-L294 HydrophobicContact CG-CD1 4.15Å; Y235-L294 HydrophobicContact CG-CD2 3.53Å; Y235-L294 HydrophobicContact CG-CG 4.46Å |
| 236 | M | 79.2 | Confident | 84 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 16% | 0.158 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -86.6 | -36.7 | -172.3 | -73.1 | -65.2 | 175.3 | 0 | 0 | 113.8 | F142 Y232 S238 | F142-M236 HydrophobicContact CE1-CE 4.41Å; F142-M236 HydrophobicContact CE2-CE 3.53Å; F142-M236 HydrophobicContact CZ-CE 3.39Å; Y232-M236 HydrophobicContact CD1-CG 4.4Å; Y232-M236 HydrophobicContact CD2-CG 4.08Å; Y232-M236 HydrophobicContact CE1-CB 4.16Å; Y232-M236 HydrophobicContact CE1-CG 3.95Å; Y232-M236 HydrophobicContact CE2-CE 4.05Å; Y232-M236 HydrophobicContact CE2-CG 3.61Å; Y232-M236 HydrophobicContact CG-CG 4.45Å; Y232-M236 WeakPolarHBondContact O-CB 3.32Å; Y232-M236 PolarHBondContact O-N 3.38Å; M236-S238 PolarHBondContact O-N 3.3Å |
| 237 | I | 72.8 | Confident | 83.7 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | trans | -80.8 | 82 | -171.7 | -59.8 | -161.3 | 0 | 0 | 0 | 109.6 | V233 L239 R246 L249 | V233-I237 HydrophobicContact CB-CD1 4.35Å; V233-I237 HydrophobicContact CG1-CD1 3.78Å; V233-I237 HydrophobicContact CG1-CG1 4.16Å; V233-I237 HydrophobicContact CG2-CD1 4.15Å; V233-I237 VanDerWaalsContact O-CB 3.28Å; V233-I237 WeakPolarHBondContact O-CB 3.28Å; V233-I237 WeakPolarHBondContact O-CG1 3.35Å; V233-I237 PolarHBondContact O-N 2.89Å; I237-L239 HydrophobicContact CB-CD1 4.44Å; I237-L239 HydrophobicContact CG2-CB 3.99Å; I237-L239 HydrophobicContact CG2-CD1 3.45Å; I237-L239 VanDerWaalsContact CG2-CD1 3.45Å; I237-L239 HydrophobicContact CG2-CG 4.32Å; I237-L239 PolarHBondContact O-N 3.29Å; I237-L239 VanDerWaalsContact O-N 3.09Å; I237-R246 HydrophobicContact CG2-CG 4.24Å; I237-R246 PolarHBondContact O-NE 3.4Å; I237-R246 PolarHBondContact O-NH2 2.64Å; I237-L249 HydrophobicContact CD1-CD1 3.87Å | ||
| 238 | S | 66.6 | Low | 83.5 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 61% | 0.608 | 34% | 0.337 | S | S | * | . | trans | -81.2 | 45.8 | 166.4 | -159.6 | 0 | 0 | 0 | 0 | 112.9 | M236 R240 | M236-S238 PolarHBondContact O-N 3.3Å; S238-R240 PolarHBondContact O-N 2.85Å | ||
| 239 | L | 64.4 | Low | 83.4 | Confident | 75 Ų | 75 | 66.1 Ų | 66.1 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | trans | -80.5 | 92.1 | 175.9 | -86.6 | 91.8 | 0 | 0 | 0 | 110.1 | I237 G241 A242 L245 | I237-L239 HydrophobicContact CB-CD1 4.44Å; I237-L239 HydrophobicContact CG2-CB 3.99Å; I237-L239 HydrophobicContact CG2-CD1 3.45Å; I237-L239 VanDerWaalsContact CG2-CD1 3.45Å; I237-L239 HydrophobicContact CG2-CG 4.32Å; I237-L239 PolarHBondContact O-N 3.29Å; I237-L239 VanDerWaalsContact O-N 3.09Å; L239-G241 PolarHBondContact O-N 3.36Å; L239-A242 PolarHBondContact O-N 3.49Å; L239-L245 HydrophobicContact CD2-CD2 4.32Å | ||
| 240 | R | 61.7 | Low | 83.4 | Confident | 150 Ų | 150 | 67.5 Ų | 67.5 | 57% | 0.566 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -20.4 | -174.1 | -131.9 | -176.2 | 163.7 | 175.4 | 9.9 | 110.8 | S238 F321 | S238-R240 PolarHBondContact O-N 2.85Å; R240-F321 HydrophobicContact CB-CD2 4.03Å; R240-F321 HydrophobicContact CB-CE1 4.38Å; R240-F321 HydrophobicContact CB-CE2 3.1Å; R240-F321 HydrophobicContact CB-CZ 3.33Å; R240-F321 VanDerWaalsContact CD-CZ 3.42Å; R240-F321 HydrophobicContact CG-CD1 4.39Å; R240-F321 HydrophobicContact CG-CD2 3.91Å; R240-F321 HydrophobicContact CG-CE1 3.63Å; R240-F321 HydrophobicContact CG-CE2 3.21Å; R240-F321 HydrophobicContact CG-CZ 3.04Å; R240-F321 WeakPolarHBondContact O-CZ 3.36Å |
| 241 | G | 68 | Low | 83.4 | Confident | 53 Ų | 53 | 74.1 Ų | 74.1 | 55% | 0.546 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -2.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | L239 | L239-G241 PolarHBondContact O-N 3.36Š|
| 242 | A | 81 | Confident | 83.6 | Confident | 33 Ų | 33 | 74.8 Ų | 74.8 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | trans | -135.9 | 73.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L239 L244 L245 | L239-A242 PolarHBondContact O-N 3.49Å; A242-L244 PolarHBondContact O-N 3.24Å; A242-L245 HydrophobicContact CB-CB 3.86Å; A242-L245 HydrophobicContact CB-CD2 4.35Å; A242-L245 WeakPolarHBondContact O-CB 3.21Å; A242-L245 PolarHBondContact O-N 3.48Å; A242-L245 VanDerWaalsContact O-N 3.08Å | ||
| 243 | P | 83.1 | Confident | 83.9 | Confident | 106 Ų | 106 | 75.9 Ų | 75.9 | 69% | 0.688 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30 | -171.8 | 24.6 | -34.2 | 0 | 0 | 0 | 113.2 | P247 | P243-P247 WeakPolarHBondContact O-CD 3.45Š|
| 244 | L | 88.2 | Confident | 84.2 | Confident | 137 Ų | 137 | 78.8 Ų | 78.8 | 72% | 0.717 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -14.9 | 179.7 | -62.4 | 178.8 | 0 | 0 | 0 | 113.9 | A242 R246 P247 F248 | A242-L244 PolarHBondContact O-N 3.24Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 3.01Å; L244-P247 VanDerWaalsContact O-CD 3.3Å; L244-P247 WeakPolarHBondContact O-CD 3.36Å; L244-P247 WeakPolarHBondContact O-CG 3.42Å; L244-F248 WeakPolarHBondContact O-CB 3.36Å; L244-F248 PolarHBondContact O-N 3.25Å |
| 245 | L | 87.8 | Confident | 84.7 | Confident | 63 Ų | 63 | 74.7 Ų | 74.7 | 33% | 0.33 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | -175.5 | -179.2 | 63.1 | 0 | 0 | 0 | 111.7 | L239 A242 L249 | L239-L245 HydrophobicContact CD2-CD2 4.32Å; A242-L245 HydrophobicContact CB-CB 3.86Å; A242-L245 HydrophobicContact CB-CD2 4.35Å; A242-L245 WeakPolarHBondContact O-CB 3.21Å; A242-L245 PolarHBondContact O-N 3.48Å; A242-L245 VanDerWaalsContact O-N 3.08Å; L245-L249 HydrophobicContact CD1-CD1 4.09Å; L245-L249 HydrophobicContact CD1-CG 4.13Å; L245-L249 HydrophobicContact CG-CD1 4.09Å; L245-L249 HydrophobicContact CG-CG 4.48Å; L245-L249 WeakPolarHBondContact O-CB 3.1Å; L245-L249 VanDerWaalsContact O-CG 3.29Å; L245-L249 WeakPolarHBondContact O-CG 3.23Å; L245-L249 PolarHBondContact O-N 3.25Å |
| 246 | R | 87.5 | Confident | 85.3 | Confident | 80 Ų | 80 | 73.4 Ų | 73.4 | 30% | 0.302 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62 | -59.4 | 178.1 | -63 | -178.8 | -172.1 | 167.7 | -0 | 112.5 | I237 L244 F248 L249 V250 | I237-R246 HydrophobicContact CG2-CG 4.24Å; I237-R246 PolarHBondContact O-NE 3.4Å; I237-R246 PolarHBondContact O-NH2 2.64Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 3.01Å; R246-F248 VanDerWaalsContact C-N 3.25Å; R246-F248 PolarHBondContact O-N 3.13Å; R246-L249 PolarHBondContact O-N 3.01Å; R246-V250 WeakPolarHBondContact O-CG2 3.49Å; R246-V250 PolarHBondContact O-N 3.37Å |
| 247 | P | 91.9 | Very high | 86.2 | Confident | 52 Ų | 52 | 72.2 Ų | 72.2 | 34% | 0.338 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 179.6 | 23.7 | -33.4 | 0 | 0 | 0 | 111.2 | P243 L244 L249 V250 F251 | P243-P247 WeakPolarHBondContact O-CD 3.45Å; L244-P247 VanDerWaalsContact O-CD 3.3Å; L244-P247 WeakPolarHBondContact O-CD 3.36Å; L244-P247 WeakPolarHBondContact O-CG 3.42Å; P247-L249 PolarHBondContact O-N 2.9Å; P247-V250 PolarHBondContact O-N 2.8Å; P247-F251 HydrophobicContact CB-CD2 4.14Å; P247-F251 HydrophobicContact CB-CE2 4.17Å; P247-F251 WeakPolarHBondContact O-CB 3.44Å; P247-F251 WeakPolarHBondContact O-CD2 3.38Å; P247-F251 PolarHBondContact O-N 3.02Å |
| 248 | F | 93.7 | Very high | 87.3 | Confident | 151 Ų | 151 | 74.7 Ų | 74.7 | 66% | 0.662 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -58.1 | -47.9 | 176.3 | 178.6 | -97.2 | 0 | 0 | 0 | 112.5 | L244 R246 G252 | L244-F248 WeakPolarHBondContact O-CB 3.36Å; L244-F248 PolarHBondContact O-N 3.25Å; R246-F248 VanDerWaalsContact C-N 3.25Å; R246-F248 PolarHBondContact O-N 3.13Å; F248-G252 PolarHBondContact O-N 3.1Å |
| 249 | L | 93.6 | Very high | 88.7 | Confident | 45 Ų | 45 | 74.4 Ų | 74.4 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.9 | -44 | 177.4 | -72 | 176 | 0 | 0 | 0 | 112 | V233 I237 L245 R246 P247 G252 F253 | V233-L249 HydrophobicContact CG1-CB 4.15Å; V233-L249 HydrophobicContact CG1-CD1 4.08Å; I237-L249 HydrophobicContact CD1-CD1 3.87Å; L245-L249 HydrophobicContact CD1-CD1 4.09Å; L245-L249 HydrophobicContact CD1-CG 4.13Å; L245-L249 HydrophobicContact CG-CD1 4.09Å; L245-L249 HydrophobicContact CG-CG 4.48Å; L245-L249 WeakPolarHBondContact O-CB 3.1Å; L245-L249 VanDerWaalsContact O-CG 3.29Å; L245-L249 WeakPolarHBondContact O-CG 3.23Å; L245-L249 PolarHBondContact O-N 3.25Å; R246-L249 PolarHBondContact O-N 3.01Å; P247-L249 PolarHBondContact O-N 2.9Å; L249-G252 PolarHBondContact O-N 3.01Å; L249-F253 HydrophobicContact CB-CE2 4.12Å; L249-F253 WeakPolarHBondContact O-CD2 3.41Å; L249-F253 WeakPolarHBondContact O-CG 3.36Å; L249-F253 PolarHBondContact O-N 3.47Å |
| 250 | V | 94.4 | Very high | 90.1 | Very high | 31 Ų | 31 | 71.2 Ų | 71.2 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.7 | -51.9 | 178.2 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | R246 P247 G252 F253 L254 | R246-V250 WeakPolarHBondContact O-CG2 3.49Å; R246-V250 PolarHBondContact O-N 3.37Å; P247-V250 PolarHBondContact O-N 2.8Å; V250-G252 VanDerWaalsContact C-N 3.27Å; V250-G252 PolarHBondContact O-N 2.93Å; V250-F253 PolarHBondContact O-N 3.16Å; V250-L254 HydrophobicContact CG1-CD1 3.97Å; V250-L254 VanDerWaalsContact O-CG 3.32Å; V250-L254 WeakPolarHBondContact O-CG 3.33Å; V250-L254 PolarHBondContact O-N 3.38Å |
| 251 | F | 95.5 | Very high | 91.7 | Very high | 149 Ų | 149 | 64 Ų | 64 | 65% | 0.654 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.6 | -32.5 | 176.9 | -75.5 | -63.2 | 0 | 0 | 0 | 112.2 | P247 G255 | P247-F251 HydrophobicContact CB-CD2 4.14Å; P247-F251 HydrophobicContact CB-CE2 4.17Å; P247-F251 WeakPolarHBondContact O-CB 3.44Å; P247-F251 WeakPolarHBondContact O-CD2 3.38Å; P247-F251 PolarHBondContact O-N 3.02Å; F251-G255 PolarHBondContact O-N 3.26Å |
| 252 | G | 96.3 | Very high | 93 | Very high | 36 Ų | 36 | 66.8 Ų | 66.8 | 37% | 0.371 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -51.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F248 L249 V250 G255 M256 | F248-G252 PolarHBondContact O-N 3.1Å; L249-G252 PolarHBondContact O-N 3.01Å; V250-G252 VanDerWaalsContact C-N 3.27Å; V250-G252 PolarHBondContact O-N 2.93Å; G252-G255 PolarHBondContact O-N 2.99Å; G252-M256 WeakPolarHBondContact O-CG 3.13Å; G252-M256 PolarHBondContact O-N 3.42Å |
| 253 | F | 96.8 | Very high | 93.5 | Very high | 33 Ų | 33 | 65.3 Ų | 65.3 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 178.2 | -65.5 | -52.5 | 0 | 0 | 0 | 112.4 | V100 V104 A226 T229 V233 L249 V250 G255 M256 S257 | V100-F253 HydrophobicContact CG1-CD1 4.49Å; V100-F253 HydrophobicContact CG1-CE1 3.76Å; V104-F253 HydrophobicContact CG2-CE1 4.33Å; V104-F253 HydrophobicContact CG2-CZ 3.76Å; A226-F253 HydrophobicContact CB-CB 4.05Å; A226-F253 VanDerWaalsContact CB-O 3.27Å; A226-F253 WeakPolarHBondContact CB-O 3.08Å; T229-F253 HydrophobicContact CG2-CD1 4.42Å; T229-F253 HydrophobicContact CG2-CD2 3.86Å; T229-F253 HydrophobicContact CG2-CE1 4.12Å; T229-F253 HydrophobicContact CG2-CE2 3.52Å; T229-F253 HydrophobicContact CG2-CG 4.33Å; T229-F253 HydrophobicContact CG2-CZ 3.67Å; V233-F253 HydrophobicContact CG2-CE2 4.15Å; L249-F253 HydrophobicContact CB-CE2 4.12Å; L249-F253 WeakPolarHBondContact O-CD2 3.41Å; L249-F253 WeakPolarHBondContact O-CG 3.36Å; L249-F253 PolarHBondContact O-N 3.47Å; V250-F253 PolarHBondContact O-N 3.16Å; F253-G255 VanDerWaalsContact C-N 3.34Å; F253-G255 PolarHBondContact O-N 3.44Å; F253-M256 PolarHBondContact O-N 3.33Å; F253-S257 PolarHBondContact O-N 3.02Å |
| 254 | L | 97.1 | Very high | 93.9 | Very high | 63 Ų | 63 | 60.4 Ų | 60.4 | 33% | 0.33 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.4 | -66.7 | 176.4 | 0 | 0 | 0 | 111.3 | A226 I227 V250 M256 S257 L258 | A226-L254 HydrophobicContact CB-CD2 4.32Å; I227-L254 HydrophobicContact CG1-CD2 4.02Å; V250-L254 HydrophobicContact CG1-CD1 3.97Å; V250-L254 VanDerWaalsContact O-CG 3.32Å; V250-L254 WeakPolarHBondContact O-CG 3.33Å; V250-L254 PolarHBondContact O-N 3.38Å; L254-M256 PolarHBondContact O-N 2.89Å; L254-S257 WeakPolarHBondContact O-CB 3.33Å; L254-S257 PolarHBondContact O-N 3.31Å; L254-S257 VanDerWaalsContact O-N 3.17Å; L254-L258 WeakPolarHBondContact O-CG 3.4Å; L254-L258 PolarHBondContact O-N 3.46Å |
| 255 | G | 96.8 | Very high | 94.2 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 26% | 0.258 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F251 G252 F253 S257 L258 I259 | F251-G255 PolarHBondContact O-N 3.26Å; G252-G255 PolarHBondContact O-N 2.99Å; F253-G255 VanDerWaalsContact C-N 3.34Å; F253-G255 PolarHBondContact O-N 3.44Å; G255-S257 VanDerWaalsContact C-N 3.34Å; G255-S257 PolarHBondContact O-N 3Å; G255-L258 PolarHBondContact O-N 3.01Å; G255-I259 VanDerWaalsContact O-CG1 3.32Å; G255-I259 WeakPolarHBondContact O-CG1 3.31Å; G255-I259 PolarHBondContact O-N 2.91Å |
| 256 | M | 96 | Very high | 94.3 | Very high | 110 Ų | 110 | 57.6 Ų | 57.6 | 54% | 0.542 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 173.8 | -69.5 | -63.2 | -68.2 | 0 | 0 | 112.1 | G252 F253 L254 I259 A260 | G252-M256 WeakPolarHBondContact O-CG 3.13Å; G252-M256 PolarHBondContact O-N 3.42Å; F253-M256 PolarHBondContact O-N 3.33Å; L254-M256 PolarHBondContact O-N 2.89Å; M256-I259 PolarHBondContact O-N 3.5Å; M256-A260 WeakPolarHBondContact O-CB 3.41Å; M256-A260 PolarHBondContact O-N 2.88Å |
| 257 | S | 96.7 | Very high | 94.4 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | S222 S223 F253 L254 G255 I259 A260 S261 | S222-S257 PolarHBondContact OG-O 2.89Å; S222-S257 PolarHBondContact OG-OG 2.82Å; S223-S257 WeakPolarHBondContact CA-OG 3.38Å; S223-S257 PolarHBondContact N-OG 2.95Å; S223-S257 VanDerWaalsContact N-OG 3.16Å; F253-S257 PolarHBondContact O-N 3.02Å; L254-S257 WeakPolarHBondContact O-CB 3.33Å; L254-S257 PolarHBondContact O-N 3.31Å; L254-S257 VanDerWaalsContact O-N 3.17Å; G255-S257 VanDerWaalsContact C-N 3.34Å; G255-S257 PolarHBondContact O-N 3Å; S257-I259 PolarHBondContact O-N 2.6Å; S257-A260 PolarHBondContact O-N 3.21Å; S257-S261 PolarHBondContact O-N 3.21Å; S257-S261 PolarHBondContact O-OG 3.44Å |
| 258 | L | 96.4 | Very high | 94.4 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 175.6 | -69.1 | 174.6 | 0 | 0 | 0 | 111.3 | L254 G255 A260 S261 F262 W279 | L254-L258 WeakPolarHBondContact O-CG 3.4Å; L254-L258 PolarHBondContact O-N 3.46Å; G255-L258 PolarHBondContact O-N 3.01Å; L258-A260 PolarHBondContact O-N 3.31Å; L258-S261 PolarHBondContact O-N 3.19Å; L258-F262 HydrophobicContact CD2-CE2 4.32Å; L258-F262 VanDerWaalsContact O-CD2 3.3Å; L258-F262 WeakPolarHBondContact O-CD2 3.37Å; L258-F262 PolarHBondContact O-N 3.19Å; L258-W279 HydrophobicContact CD2-CH2 3.42Å; L258-W279 VanDerWaalsContact CD2-CH2 3.42Å; L258-W279 HydrophobicContact CD2-CZ2 3.39Å; L258-W279 HydrophobicContact CD2-CZ3 4.37Å |
| 259 | I | 95.4 | Very high | 94.3 | Very high | 81 Ų | 81 | 49.9 Ų | 49.9 | 42% | 0.415 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 178.7 | -67.2 | 165 | 0 | 0 | 0 | 110.7 | I86 G255 M256 S257 S261 F262 S263 | I86-I259 HydrophobicContact CG2-CG2 3.78Å; G255-I259 VanDerWaalsContact O-CG1 3.32Å; G255-I259 WeakPolarHBondContact O-CG1 3.31Å; G255-I259 PolarHBondContact O-N 2.91Å; M256-I259 PolarHBondContact O-N 3.5Å; S257-I259 PolarHBondContact O-N 2.6Å; I259-S261 PolarHBondContact O-N 3.2Å; I259-F262 PolarHBondContact O-N 3.16Å; I259-S263 WeakPolarHBondContact O-CB 3.47Å; I259-S263 PolarHBondContact O-N 3.35Å |
| 260 | A | 94.9 | Very high | 94.3 | Very high | 8 Ų | 8 | 48 Ų | 48 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | V88 L93 M256 S257 L258 S263 | V88-A260 HydrophobicContact CG1-CB 4.34Å; V88-A260 HydrophobicContact CG2-CB 4.43Å; L93-A260 HydrophobicContact CD1-CB 4.39Å; M256-A260 WeakPolarHBondContact O-CB 3.41Å; M256-A260 PolarHBondContact O-N 2.88Å; S257-A260 PolarHBondContact O-N 3.21Å; L258-A260 PolarHBondContact O-N 3.31Å; A260-S263 PolarHBondContact O-OG 3.42Å |
| 261 | S | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.7 | -50.9 | 177.5 | -70 | 0 | 0 | 0 | 0 | 113.5 | A219 S257 L258 I259 S263 F264 W279 | A219-S261 WeakPolarHBondContact CA-OG 3.18Å; A219-S261 WeakPolarHBondContact CB-OG 3.49Å; S257-S261 PolarHBondContact O-N 3.21Å; S257-S261 PolarHBondContact O-OG 3.44Å; L258-S261 PolarHBondContact O-N 3.19Å; I259-S261 PolarHBondContact O-N 3.2Å; S261-S263 VanDerWaalsContact C-N 3.33Å; S261-S263 PolarHBondContact O-N 3.25Å; S261-F264 PolarHBondContact O-N 3.21Å; S261-W279 PolarHBondContact OG-NE1 3.48Å |
| 262 | F | 93.8 | Very high | 94.3 | Very high | 110 Ų | 110 | 50.9 Ų | 50.9 | 48% | 0.482 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -74.4 | -22.7 | -174.2 | -80.3 | -72.5 | 0 | 0 | 0 | 113.2 | L258 I259 F264 V265 Q266 W279 | L258-F262 HydrophobicContact CD2-CE2 4.32Å; L258-F262 VanDerWaalsContact O-CD2 3.3Å; L258-F262 WeakPolarHBondContact O-CD2 3.37Å; L258-F262 PolarHBondContact O-N 3.19Å; I259-F262 PolarHBondContact O-N 3.16Å; F262-F264 PolarHBondContact O-N 3.03Å; F262-V265 HydrophobicContact CD1-CB 4.31Å; F262-V265 HydrophobicContact CD1-CG2 4.31Å; F262-V265 PolarHBondContact O-N 3.16Å; F262-Q266 PolarHBondContact O-N 3.05Å; F262-W279 HydrophobicContact CD2-CH2 4.46Å; F262-W279 HydrophobicContact CD2-CZ2 4.49Å; F262-W279 AromaticContact CE2-CH2 3.61Å; F262-W279 HydrophobicContact CE2-CH2 3.61Å; F262-W279 HydrophobicContact CE2-CZ2 4.05Å; F262-W279 HydrophobicContact CZ-CH2 4.03Å |
| 263 | S | 93.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55 | -35.1 | 173.3 | 72.8 | 0 | 0 | 0 | 0 | 112.6 | I86 I259 A260 S261 G267 | I86-S263 WeakPolarHBondContact O-CB 3.37Å; I259-S263 WeakPolarHBondContact O-CB 3.47Å; I259-S263 PolarHBondContact O-N 3.35Å; A260-S263 PolarHBondContact O-OG 3.42Å; S261-S263 VanDerWaalsContact C-N 3.33Å; S261-S263 PolarHBondContact O-N 3.25Å; S263-G267 PolarHBondContact O-N 3.29Å |
| 264 | F | 91.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -82.3 | -26.2 | 178.1 | -92.3 | -130.8 | 0 | 0 | 0 | 113.2 | Y87 V88 Y90 H218 S261 F262 K269 N270 | Y87-F264 HydrophobicContact CD2-CE2 4.46Å; Y87-F264 AromaticContact CE2-CE2 3.83Å; Y87-F264 HydrophobicContact CE2-CE2 3.83Å; Y87-F264 HydrophobicContact CE2-CZ 4.34Å; V88-F264 VanDerWaalsContact O-CE2 3.25Å; V88-F264 WeakPolarHBondContact O-CE2 3.24Å; Y90-F264 HydrophobicContact CE2-CE1 4.11Å; Y90-F264 HydrophobicContact CE2-CZ 4.01Å; Y90-F264 AromaticContact CZ-CE1 3.87Å; H218-F264 AromaticContact CD2-CD2 3.84Å; H218-F264 AromaticContact CD2-CE2 3.78Å; H218-F264 AromaticContact CE1-CE1 3.44Å; H218-F264 VanDerWaalsContact CE1-CE1 3.44Å; H218-F264 WeakPolarHBondContact CE1-CE1 3.27Å; H218-F264 AromaticContact CE1-CE2 3.42Å; H218-F264 VanDerWaalsContact CE1-CE2 3.42Å; H218-F264 WeakPolarHBondContact CE1-CE2 3.28Å; H218-F264 AromaticContact CE1-CZ 3.08Å; H218-F264 WeakPolarHBondContact CE1-CZ 3.2Å; H218-F264 AromaticContact ND1-CD1 3.95Å; H218-F264 AromaticContact ND1-CE1 3.68Å; H218-F264 AromaticContact ND1-CZ 3.77Å; H218-F264 AromaticContact NE2-CD2 3.75Å; H218-F264 AromaticContact NE2-CE2 3.19Å; H218-F264 WeakPolarHBondContact NE2-CE2 3.49Å; H218-F264 AromaticContact NE2-CZ 3.39Å; H218-F264 WeakPolarHBondContact NE2-CZ 3.41Å; S261-F264 PolarHBondContact O-N 3.21Å; F262-F264 PolarHBondContact O-N 3.03Å; F264-K269 HydrophobicContact CB-CB 4.09Å; F264-K269 HydrophobicContact CD1-CB 3.55Å; F264-K269 HydrophobicContact CD1-CG 4.33Å; F264-K269 HydrophobicContact CE1-CB 4.13Å; F264-K269 HydrophobicContact CG-CB 3.93Å; F264-K269 WeakPolarHBondContact O-CA 3.36Å; F264-K269 WeakPolarHBondContact O-CB 3.47Å; F264-K269 PolarHBondContact O-N 3.15Å; F264-N270 HydrophobicContact CB-CB 4.47Å; F264-N270 WeakPolarHBondContact CB-ND2 3.26Å; F264-N270 PolarHBondContact O-N 2.72Å |
| 265 | V | 92.6 | Very high | 94.2 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.4 | -44.3 | 172.6 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | F262 G267 Y268 V275 | F262-V265 HydrophobicContact CD1-CB 4.31Å; F262-V265 HydrophobicContact CD1-CG2 4.31Å; F262-V265 PolarHBondContact O-N 3.16Å; V265-G267 PolarHBondContact O-N 3.39Å; V265-Y268 PolarHBondContact O-N 3.41Å; V265-V275 HydrophobicContact CG2-CG2 3.56Å |
| 266 | Q | 91.2 | Very high | 94.2 | Very high | 105 Ų | 105 | 55.2 Ų | 55.2 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.7 | -38.1 | 175.8 | -173.4 | 178.2 | 26.2 | 0 | 0 | 111.8 | F262 Y268 | F262-Q266 PolarHBondContact O-N 3.05Å; Q266-Y268 VanDerWaalsContact C-N 3.28Å; Q266-Y268 PolarHBondContact O-N 3.01Å |
| 267 | G | 89.1 | Confident | 94.3 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 6.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | S263 V265 K269 | S263-G267 PolarHBondContact O-N 3.29Å; V265-G267 PolarHBondContact O-N 3.39Å; G267-K269 PolarHBondContact O-N 3.39Å |
| 268 | Y | 91.7 | Very high | 94.3 | Very high | 95 Ų | 95 | 51.6 Ų | 51.6 | 37% | 0.373 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 26 | -171.1 | -60.4 | -57.2 | 0 | 0 | 0 | 113.8 | K76 P77 F79 P169 Y170 V265 Q266 | K76-Y268 HydrophobicContact CB-CD1 4.04Å; K76-Y268 HydrophobicContact CB-CD2 3.85Å; K76-Y268 HydrophobicContact CB-CE2 4.49Å; K76-Y268 HydrophobicContact CB-CG 3.59Å; K76-Y268 HydrophobicContact CD-CD1 4.3Å; K76-Y268 HydrophobicContact CD-CE1 4.27Å; K76-Y268 HydrophobicContact CG-CD1 3.84Å; K76-Y268 HydrophobicContact CG-CD2 4.48Å; K76-Y268 HydrophobicContact CG-CE1 4.32Å; K76-Y268 HydrophobicContact CG-CG 3.94Å; P77-Y268 HydrophobicContact CG-CD2 3.98Å; P77-Y268 HydrophobicContact CG-CE2 3.97Å; F79-Y268 HydrophobicContact CD2-CD2 4.08Å; F79-Y268 AromaticContact CE2-CD2 3.62Å; F79-Y268 HydrophobicContact CE2-CD2 3.62Å; F79-Y268 AromaticContact CE2-CE2 3.64Å; F79-Y268 HydrophobicContact CE2-CE2 3.64Å; F79-Y268 HydrophobicContact CZ-CE2 4.39Å; P169-Y268 WeakPolarHBondContact CB-O 3Å; P169-Y268 WeakPolarHBondContact CD-O 3.4Å; P169-Y268 VanDerWaalsContact CG-O 3.28Å; P169-Y268 WeakPolarHBondContact CG-O 3.44Å; Y170-Y268 WeakPolarHBondContact CD1-O 3.35Å; V265-Y268 PolarHBondContact O-N 3.41Å; Q266-Y268 VanDerWaalsContact C-N 3.28Å; Q266-Y268 PolarHBondContact O-N 3.01Å |
| 269 | K | 92.5 | Very high | 94.4 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 11% | 0.109 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -87.1 | -25.2 | -177.5 | -60.9 | -59.4 | -177.6 | 175 | 0 | 113.1 | N78 R168 Y170 F264 G267 | N78-K269 PolarHBondContact OD1-NZ 3.15Å; R168-K269 WeakPolarHBondContact CD-O 3.43Å; R168-K269 VanDerWaalsContact CG-O 3.23Å; R168-K269 WeakPolarHBondContact CG-O 3.21Å; R168-K269 PolarHBondContact NH1-O 2.88Å; R168-K269 VanDerWaalsContact NH1-O 3.13Å; Y170-K269 HydrophobicContact CD1-CD 3.69Å; Y170-K269 HydrophobicContact CE1-CB 4.49Å; Y170-K269 HydrophobicContact CE1-CD 3.3Å; Y170-K269 HydrophobicContact CE1-CG 4.46Å; F264-K269 HydrophobicContact CB-CB 4.09Å; F264-K269 HydrophobicContact CD1-CB 3.55Å; F264-K269 HydrophobicContact CD1-CG 4.33Å; F264-K269 HydrophobicContact CE1-CB 4.13Å; F264-K269 HydrophobicContact CG-CB 3.93Å; F264-K269 WeakPolarHBondContact O-CA 3.36Å; F264-K269 WeakPolarHBondContact O-CB 3.47Å; F264-K269 PolarHBondContact O-N 3.15Å; G267-K269 PolarHBondContact O-N 3.39Å |
| 270 | N | 93.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -136.6 | 156.4 | 174.1 | -65.5 | -25.7 | 0 | 0 | 0 | 109.4 | S216 F264 D274 | S216-N270 WeakPolarHBondContact CB-ND2 3.08Å; S216-N270 PolarHBondContact OG-ND2 3.12Å; F264-N270 HydrophobicContact CB-CB 4.47Å; F264-N270 WeakPolarHBondContact CB-ND2 3.26Å; F264-N270 PolarHBondContact O-N 2.72Å; N270-D274 HydrophobicContact CB-CB 4.29Å |
| 271 | H | 94.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 53 Ų | 53 | 25% | 0.25 | 24% | 0.241 | C | C | . | . | trans | -77.5 | 154.5 | 165.7 | -60.9 | -79.2 | 0 | 0 | 0 | 110.3 | Q167 V273 D274 V275 | Q167-H271 PolarHBondContact O-NE2 3.35Å; H271-V273 VanDerWaalsContact C-N 3.28Å; H271-V273 PolarHBondContact O-N 3.13Å; H271-D274 IonicContact CD2-OD2 2.8Å; H271-D274 IonicContact CG-OD2 2.91Å; H271-D274 PolarHBondContact N-OD2 2.84Å; H271-D274 WeakPolarHBondContact O-CB 3.21Å; H271-D274 PolarHBondContact O-N 3.05Å; H271-D274 VanDerWaalsContact O-N 3.16Å; H271-V275 PolarHBondContact O-N 3.33Å | ||
| 272 | W | 94.3 | Very high | 94.8 | Very high | 187 Ų | 187 | 53 Ų | 53 | 71% | 0.708 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -54.4 | -39.3 | 172.2 | 63 | -34.6 | 0 | 0 | 0 | 113.7 | D274 V275 W276 | W272-D274 VanDerWaalsContact C-N 3.35Å; W272-D274 PolarHBondContact O-N 3.46Å; W272-V275 WeakPolarHBondContact O-CB 3.09Å; W272-V275 PolarHBondContact O-N 2.91Å; W272-W276 VanDerWaalsContact O-CD1 3.24Å; W272-W276 PolarHBondContact O-N 2.91Å |
| 273 | V | 95.7 | Very high | 95 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 44% | 0.442 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.1 | -40.1 | 176.5 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | H271 V275 W276 V277 | H271-V273 VanDerWaalsContact C-N 3.28Å; H271-V273 PolarHBondContact O-N 3.13Å; V273-V275 PolarHBondContact O-N 3.04Å; V273-W276 PolarHBondContact O-N 3.24Å; V273-W276 VanDerWaalsContact O-N 3.16Å; V273-V277 HydrophobicContact CG1-CG2 4.38Å; V273-V277 PolarHBondContact O-N 2.82Å |
| 274 | D | 96.4 | Very high | 95.2 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.2 | -34.6 | 177.8 | -49.5 | -13.4 | 0 | 0 | 0 | 111.2 | F214 S216 N270 H271 W272 G278 | F214-D274 HydrophobicContact CD2-CB 4.35Å; F214-D274 WeakPolarHBondContact CD2-OD1 3.32Å; S216-D274 WeakPolarHBondContact CB-O 3.26Å; S216-D274 PolarHBondContact N-O 3.35Å; N270-D274 HydrophobicContact CB-CB 4.29Å; H271-D274 IonicContact CD2-OD2 2.8Å; H271-D274 IonicContact CG-OD2 2.91Å; H271-D274 PolarHBondContact N-OD2 2.84Å; H271-D274 WeakPolarHBondContact O-CB 3.21Å; H271-D274 PolarHBondContact O-N 3.05Å; H271-D274 VanDerWaalsContact O-N 3.16Å; W272-D274 VanDerWaalsContact C-N 3.35Å; W272-D274 PolarHBondContact O-N 3.46Å; D274-G278 PolarHBondContact O-N 3.44Å |
| 275 | V | 96.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.2 | -46.6 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | A219 V265 H271 W272 V273 V277 G278 W279 | A219-V275 HydrophobicContact CB-CB 4.33Å; A219-V275 HydrophobicContact CB-CG1 3.95Å; A219-V275 WeakPolarHBondContact CB-O 3.41Å; V265-V275 HydrophobicContact CG2-CG2 3.56Å; H271-V275 PolarHBondContact O-N 3.33Å; W272-V275 WeakPolarHBondContact O-CB 3.09Å; W272-V275 PolarHBondContact O-N 2.91Å; V273-V275 PolarHBondContact O-N 3.04Å; V275-V277 PolarHBondContact O-N 3.5Å; V275-G278 PolarHBondContact O-N 3.42Å; V275-W279 HydrophobicContact CG1-CD2 4.08Å; V275-W279 HydrophobicContact CG1-CE3 4.41Å; V275-W279 HydrophobicContact CG1-CH2 4.19Å; V275-W279 HydrophobicContact CG1-CZ2 3.83Å; V275-W279 HydrophobicContact CG1-CZ3 4.48Å; V275-W279 PolarHBondContact O-N 2.79Å |
| 276 | W | 96.8 | Very high | 95.7 | Very high | 165 Ų | 165 | 50.5 Ų | 50.5 | 63% | 0.625 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -59.7 | -46.5 | 178.1 | -77.8 | 108.7 | 0 | 0 | 0 | 112.4 | W272 V273 G278 W279 L280 | W272-W276 VanDerWaalsContact O-CD1 3.24Å; W272-W276 PolarHBondContact O-N 2.91Å; V273-W276 PolarHBondContact O-N 3.24Å; V273-W276 VanDerWaalsContact O-N 3.16Å; W276-G278 VanDerWaalsContact C-N 3.34Å; W276-W279 HydrophobicContact CD2-CE3 4.36Å; W276-W279 HydrophobicContact CD2-CZ3 4.42Å; W276-W279 AromaticContact CE3-CE3 3.88Å; W276-W279 HydrophobicContact CE3-CE3 3.88Å; W276-W279 HydrophobicContact CE3-CZ3 4.14Å; W276-W279 HydrophobicContact CH2-CZ3 4.19Å; W276-W279 HydrophobicContact CZ2-CZ3 4.45Å; W276-W279 HydrophobicContact CZ3-CE3 4.04Å; W276-W279 HydrophobicContact CZ3-CZ3 4.03Å; W276-W279 PolarHBondContact O-N 2.99Å; W276-L280 PolarHBondContact O-N 3.49Å |
| 277 | V | 97.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 26% | 0.255 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 177.1 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | F214 P215 V273 V275 W279 L280 I281 | F214-V277 HydrophobicContact CE2-CB 3.87Å; F214-V277 HydrophobicContact CE2-CG1 4.06Å; F214-V277 HydrophobicContact CE2-CG2 3.72Å; F214-V277 HydrophobicContact CZ-CB 4.1Å; F214-V277 HydrophobicContact CZ-CG1 3.77Å; F214-V277 HydrophobicContact CZ-CG2 4Å; P215-V277 HydrophobicContact CB-CB 4.37Å; P215-V277 HydrophobicContact CB-CG1 4.03Å; V273-V277 HydrophobicContact CG1-CG2 4.38Å; V273-V277 PolarHBondContact O-N 2.82Å; V275-V277 PolarHBondContact O-N 3.5Å; V277-W279 PolarHBondContact O-N 3.24Å; V277-L280 PolarHBondContact O-N 3.31Å; V277-I281 HydrophobicContact CG1-CD1 4.02Å; V277-I281 HydrophobicContact CG1-CG1 4.47Å; V277-I281 WeakPolarHBondContact O-CG1 3.34Å; V277-I281 PolarHBondContact O-N 2.93Å |
| 278 | G | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.6 | -49 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | A220 D274 V275 W276 L280 I281 G282 | A220-G278 WeakPolarHBondContact CA-O 3.45Å; A220-G278 WeakPolarHBondContact CB-O 3.33Å; D274-G278 PolarHBondContact O-N 3.44Å; V275-G278 PolarHBondContact O-N 3.42Å; W276-G278 VanDerWaalsContact C-N 3.34Å; G278-L280 VanDerWaalsContact C-N 3.32Å; G278-L280 PolarHBondContact O-N 3.38Å; G278-I281 PolarHBondContact O-N 3.33Å; G278-G282 PolarHBondContact O-N 3.25Å |
| 279 | W | 97.8 | Very high | 96.3 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 14% | 0.144 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58 | -42.9 | 175.7 | -77.8 | -17.3 | 0 | 0 | 0 | 113 | A219 S223 L258 S261 F262 V275 W276 V277 G282 A283 | A219-W279 HydrophobicContact CB-CG 4.33Å; S223-W279 PolarHBondContact OG-O 3.46Å; L258-W279 HydrophobicContact CD2-CH2 3.42Å; L258-W279 VanDerWaalsContact CD2-CH2 3.42Å; L258-W279 HydrophobicContact CD2-CZ2 3.39Å; L258-W279 HydrophobicContact CD2-CZ3 4.37Å; S261-W279 PolarHBondContact OG-NE1 3.48Å; F262-W279 HydrophobicContact CD2-CH2 4.46Å; F262-W279 HydrophobicContact CD2-CZ2 4.49Å; F262-W279 AromaticContact CE2-CH2 3.61Å; F262-W279 HydrophobicContact CE2-CH2 3.61Å; F262-W279 HydrophobicContact CE2-CZ2 4.05Å; F262-W279 HydrophobicContact CZ-CH2 4.03Å; V275-W279 HydrophobicContact CG1-CD2 4.08Å; V275-W279 HydrophobicContact CG1-CE3 4.41Å; V275-W279 HydrophobicContact CG1-CH2 4.19Å; V275-W279 HydrophobicContact CG1-CZ2 3.83Å; V275-W279 HydrophobicContact CG1-CZ3 4.48Å; V275-W279 PolarHBondContact O-N 2.79Å; W276-W279 HydrophobicContact CD2-CE3 4.36Å; W276-W279 HydrophobicContact CD2-CZ3 4.42Å; W276-W279 AromaticContact CE3-CE3 3.88Å; W276-W279 HydrophobicContact CE3-CE3 3.88Å; W276-W279 HydrophobicContact CE3-CZ3 4.14Å; W276-W279 HydrophobicContact CH2-CZ3 4.19Å; W276-W279 HydrophobicContact CZ2-CZ3 4.45Å; W276-W279 HydrophobicContact CZ3-CE3 4.04Å; W276-W279 HydrophobicContact CZ3-CZ3 4.03Å; W276-W279 PolarHBondContact O-N 2.99Å; V277-W279 PolarHBondContact O-N 3.24Å; W279-G282 PolarHBondContact O-N 2.88Å; W279-A283 WeakPolarHBondContact O-CB 3.48Å; W279-A283 PolarHBondContact O-N 3.33Å |
| 280 | L | 97.9 | Very high | 96.2 | Very high | 122 Ų | 122 | 54.1 Ų | 54.1 | 64% | 0.639 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.1 | -46.6 | 177.9 | -178.2 | 64 | 0 | 0 | 0 | 111.6 | W276 V277 G278 A283 A284 | W276-L280 PolarHBondContact O-N 3.49Å; V277-L280 PolarHBondContact O-N 3.31Å; G278-L280 VanDerWaalsContact C-N 3.32Å; G278-L280 PolarHBondContact O-N 3.38Å; L280-A283 PolarHBondContact O-N 3.35Å; L280-A284 VanDerWaalsContact O-CB 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.33Å; L280-A284 PolarHBondContact O-N 2.93Å |
| 281 | I | 98 | Very high | 96 | Very high | 40 Ų | 40 | 60 Ų | 60 | 21% | 0.205 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60 | -50.6 | 177.7 | -66.8 | 166.9 | 0 | 0 | 0 | 110.5 | V153 I160 P215 V277 G278 A285 | V153-I281 HydrophobicContact CG1-CG2 4.48Å; I160-I281 HydrophobicContact CD1-CD1 4.13Å; P215-I281 HydrophobicContact CB-CD1 4.17Å; P215-I281 HydrophobicContact CG-CD1 3.78Å; V277-I281 HydrophobicContact CG1-CD1 4.02Å; V277-I281 HydrophobicContact CG1-CG1 4.47Å; V277-I281 WeakPolarHBondContact O-CG1 3.34Å; V277-I281 PolarHBondContact O-N 2.93Å; G278-I281 PolarHBondContact O-N 3.33Å; I281-A285 WeakPolarHBondContact O-CB 3.04Å; I281-A285 PolarHBondContact O-N 3.47Å; I281-A285 VanDerWaalsContact O-N 3.1Å |
| 282 | G | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.1 | -41.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A220 S223 G278 W279 A286 | A220-G282 WeakPolarHBondContact O-CA 3.33Å; S223-G282 WeakPolarHBondContact OG-CA 3.15Å; G278-G282 PolarHBondContact O-N 3.25Å; W279-G282 PolarHBondContact O-N 2.88Å; G282-A286 WeakPolarHBondContact O-CB 3.33Å; G282-A286 PolarHBondContact O-N 3.21Å |
| 283 | A | 97.7 | Very high | 95.2 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66 | -46.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | I227 W279 L280 A285 A286 F287 | I227-A283 HydrophobicContact CD1-CB 3.47Å; I227-A283 VanDerWaalsContact CD1-CB 3.47Å; W279-A283 WeakPolarHBondContact O-CB 3.48Å; W279-A283 PolarHBondContact O-N 3.33Å; L280-A283 PolarHBondContact O-N 3.35Å; A283-A285 PolarHBondContact O-N 2.95Å; A283-A286 PolarHBondContact O-N 2.92Å; A283-F287 HydrophobicContact CB-CD2 4.48Å; A283-F287 HydrophobicContact CB-CE2 4.4Å; A283-F287 WeakPolarHBondContact O-CD2 3.32Å; A283-F287 PolarHBondContact O-N 2.99Å |
| 284 | A | 97.6 | Very high | 94.2 | Very high | 57 Ų | 57 | 49.5 Ų | 49.5 | 47% | 0.471 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L280 A286 Y288 | L280-A284 VanDerWaalsContact O-CB 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.33Å; L280-A284 PolarHBondContact O-N 2.93Å; A284-A286 PolarHBondContact O-N 2.94Å; A284-Y288 WeakPolarHBondContact O-CB 3.37Å; A284-Y288 PolarHBondContact O-N 3.25Å |
| 285 | A | 97.1 | Very high | 92.4 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V153 Y224 I281 A283 L289 | V153-A285 HydrophobicContact CG2-CB 3.47Å; V153-A285 VanDerWaalsContact CG2-CB 3.47Å; Y224-A285 HydrophobicContact CD2-CB 4.05Å; Y224-A285 HydrophobicContact CE2-CB 4.39Å; I281-A285 WeakPolarHBondContact O-CB 3.04Å; I281-A285 PolarHBondContact O-N 3.47Å; I281-A285 VanDerWaalsContact O-N 3.1Å; A283-A285 PolarHBondContact O-N 2.95Å; A285-L289 WeakPolarHBondContact O-CB 3.4Å; A285-L289 WeakPolarHBondContact O-CG 3.44Å; A285-L289 PolarHBondContact O-N 3.4Å |
| 286 | A | 96.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -49.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y224 I227 F228 G282 A283 A284 Y288 L289 C290 | Y224-A286 HydrophobicContact CD2-CB 3.83Å; Y224-A286 HydrophobicContact CE2-CB 4.22Å; I227-A286 HydrophobicContact CB-CB 3.81Å; I227-A286 HydrophobicContact CG2-CB 3.63Å; F228-A286 HydrophobicContact CB-CB 4.42Å; G282-A286 WeakPolarHBondContact O-CB 3.33Å; G282-A286 PolarHBondContact O-N 3.21Å; A283-A286 PolarHBondContact O-N 2.92Å; A284-A286 PolarHBondContact O-N 2.94Å; A286-Y288 PolarHBondContact O-N 3.41Å; A286-L289 PolarHBondContact O-N 2.95Å; A286-C290 VanDerWaalsContact O-CB 3.24Å; A286-C290 WeakPolarHBondContact O-CB 3.37Å; A286-C290 PolarHBondContact O-N 2.93Å; A286-C290 PolarHBondContact O-SG 3.48Å |
| 287 | F | 95.2 | Very high | 88.5 | Confident | 122 Ų | 122 | 55.4 Ų | 55.4 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 178.6 | -75.5 | -60.3 | 0 | 0 | 0 | 112.4 | I227 A283 H291 | I227-F287 HydrophobicContact CG2-CE1 4.22Å; I227-F287 HydrophobicContact CG2-CE2 4.29Å; I227-F287 HydrophobicContact CG2-CZ 4.07Å; A283-F287 HydrophobicContact CB-CD2 4.48Å; A283-F287 HydrophobicContact CB-CE2 4.4Å; A283-F287 WeakPolarHBondContact O-CD2 3.32Å; A283-F287 PolarHBondContact O-N 2.99Å; F287-H291 VanDerWaalsContact O-CB 3.24Å; F287-H291 WeakPolarHBondContact O-CB 3.35Å; F287-H291 PolarHBondContact O-N 2.74Å |
| 288 | Y | 95.4 | Very high | 86.1 | Confident | 153 Ų | 153 | 57.7 Ų | 57.7 | 60% | 0.6 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.7 | -51.7 | 176.2 | 176.4 | -101.7 | 0 | 0 | 0 | 111.3 | A284 A286 H291 N292 | A284-Y288 WeakPolarHBondContact O-CB 3.37Å; A284-Y288 PolarHBondContact O-N 3.25Å; A286-Y288 PolarHBondContact O-N 3.41Å; Y288-H291 PolarHBondContact O-N 3.22Å; Y288-N292 WeakPolarHBondContact CE1-ND2 3.46Å; Y288-N292 WeakPolarHBondContact CE2-ND2 3.21Å; Y288-N292 VanDerWaalsContact CZ-ND2 3.33Å; Y288-N292 PolarHBondContact O-N 3.05Å; Y288-N292 PolarHBondContact O-ND2 3.08Å |
| 289 | L | 94.3 | Very high | 83.4 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 9% | 0.089 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.9 | -40 | -178.1 | -69.1 | 176.9 | 0 | 0 | 0 | 112.6 | V145 F148 Y224 F228 A285 A286 H291 N292 V293 | V145-L289 HydrophobicContact CG1-CB 4.18Å; V145-L289 HydrophobicContact CG1-CD1 4.46Å; V145-L289 HydrophobicContact CG1-CD2 4.13Å; V145-L289 HydrophobicContact CG1-CG 4.5Å; F148-L289 HydrophobicContact CD1-CD2 4.4Å; Y224-L289 HydrophobicContact CE2-CD1 4.02Å; F228-L289 HydrophobicContact CE2-CB 4.34Å; A285-L289 WeakPolarHBondContact O-CB 3.4Å; A285-L289 WeakPolarHBondContact O-CG 3.44Å; A285-L289 PolarHBondContact O-N 3.4Å; A286-L289 PolarHBondContact O-N 2.95Å; L289-H291 PolarHBondContact O-N 3.47Å; L289-N292 PolarHBondContact O-N 2.93Å; L289-V293 VanDerWaalsContact O-CG2 3.28Å; L289-V293 WeakPolarHBondContact O-CG2 3.49Å; L289-V293 PolarHBondContact O-N 3.07Å |
| 290 | C | 91.8 | Very high | 80.4 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 173.5 | -71.8 | 0 | 0 | 0 | 0 | 110.8 | F228 C231 A286 N292 V293 L294 | F228-C290 VanDerWaalsContact CD2-SG 3.52Å; C231-C290 HydrophobicContact CB-CB 4.13Å; C231-C290 WeakPolarHBondContact CB-SG 3.49Å; A286-C290 VanDerWaalsContact O-CB 3.24Å; A286-C290 WeakPolarHBondContact O-CB 3.37Å; A286-C290 PolarHBondContact O-N 2.93Å; A286-C290 PolarHBondContact O-SG 3.48Å; C290-N292 VanDerWaalsContact C-N 3.33Å; C290-N292 PolarHBondContact O-N 2.84Å; C290-V293 PolarHBondContact O-N 3.1Å; C290-L294 HydrophobicContact CB-CD1 4.04Å; C290-L294 WeakPolarHBondContact O-CB 3.27Å; C290-L294 VanDerWaalsContact O-CD1 3.24Å; C290-L294 WeakPolarHBondContact O-CD1 3.43Å; C290-L294 WeakPolarHBondContact O-CG 3.41Å; C290-L294 PolarHBondContact O-N 3.48Å |
| 291 | H | 88.9 | Confident | 77.1 | Confident | 128 Ų | 128 | 71.6 Ų | 71.6 | 59% | 0.593 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57 | -46.9 | 177.8 | -179.8 | 70.8 | 0 | 0 | 0 | 111.6 | F287 Y288 L289 C295 | F287-H291 VanDerWaalsContact O-CB 3.24Å; F287-H291 WeakPolarHBondContact O-CB 3.35Å; F287-H291 PolarHBondContact O-N 2.74Å; Y288-H291 PolarHBondContact O-N 3.22Å; L289-H291 PolarHBondContact O-N 3.47Å; H291-C295 WeakPolarHBondContact O-CB 3.43Å; H291-C295 PolarHBondContact O-N 2.85Å |
| 292 | N | 87.2 | Confident | 74.1 | Confident | 50 Ų | 50 | 77 Ų | 77 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.6 | -54.5 | 176.3 | -76.7 | -72 | 0 | 0 | 0 | 111.3 | Y288 L289 C290 L294 C295 F296 | Y288-N292 WeakPolarHBondContact CE1-ND2 3.46Å; Y288-N292 WeakPolarHBondContact CE2-ND2 3.21Å; Y288-N292 VanDerWaalsContact CZ-ND2 3.33Å; Y288-N292 PolarHBondContact O-N 3.05Å; Y288-N292 PolarHBondContact O-ND2 3.08Å; L289-N292 PolarHBondContact O-N 2.93Å; C290-N292 VanDerWaalsContact C-N 3.33Å; C290-N292 PolarHBondContact O-N 2.84Å; N292-L294 VanDerWaalsContact C-N 3.34Å; N292-L294 PolarHBondContact O-N 2.03Å; N292-C295 PolarHBondContact O-N 3.38Å; N292-F296 WeakPolarHBondContact O-CD2 3.11Å; N292-F296 PolarHBondContact O-N 2.89Å; N292-F296 VanDerWaalsContact O-N 3.1Å |
| 293 | V | 84.5 | Confident | 71 | Confident | 17 Ų | 17 | 84.4 Ų | 84.4 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.2 | -39.6 | -175.5 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | F142 V145 L289 C290 Q297 | F142-V293 HydrophobicContact CD1-CG1 3.6Å; F142-V293 HydrophobicContact CE1-CG1 3.29Å; F142-V293 HydrophobicContact CZ-CG1 4.21Å; V145-V293 HydrophobicContact CB-CG2 3.82Å; V145-V293 HydrophobicContact CG1-CG2 3.39Å; V145-V293 HydrophobicContact CG2-CG2 3.85Å; L289-V293 VanDerWaalsContact O-CG2 3.28Å; L289-V293 WeakPolarHBondContact O-CG2 3.49Å; L289-V293 PolarHBondContact O-N 3.07Å; C290-V293 PolarHBondContact O-N 3.1Å; V293-Q297 PolarHBondContact O-N 3.44Å |
| 294 | L | 73.8 | Confident | 68.1 | Low | 26 Ų | 26 | 91.4 Ų | 91.4 | 14% | 0.136 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -77 | -36.6 | -177.9 | -65.4 | 163.1 | 0 | 0 | 0 | 112.2 | Y235 C290 N292 F296 Q297 | Y235-L294 HydrophobicContact CD1-CD2 4.04Å; Y235-L294 HydrophobicContact CD2-CD1 3.35Å; Y235-L294 HydrophobicContact CD2-CD2 3.5Å; Y235-L294 VanDerWaalsContact CD2-CD2 3.5Å; Y235-L294 HydrophobicContact CD2-CG 4.06Å; Y235-L294 HydrophobicContact CE1-CD1 4.3Å; Y235-L294 HydrophobicContact CE1-CD2 4.46Å; Y235-L294 HydrophobicContact CE2-CD1 3.06Å; Y235-L294 HydrophobicContact CE2-CD2 4.06Å; Y235-L294 HydrophobicContact CE2-CG 4.15Å; Y235-L294 HydrophobicContact CG-CD1 4.15Å; Y235-L294 HydrophobicContact CG-CD2 3.53Å; Y235-L294 HydrophobicContact CG-CG 4.46Å; C290-L294 HydrophobicContact CB-CD1 4.04Å; C290-L294 WeakPolarHBondContact O-CB 3.27Å; C290-L294 VanDerWaalsContact O-CD1 3.24Å; C290-L294 WeakPolarHBondContact O-CD1 3.43Å; C290-L294 WeakPolarHBondContact O-CG 3.41Å; C290-L294 PolarHBondContact O-N 3.48Å; N292-L294 VanDerWaalsContact C-N 3.34Å; N292-L294 PolarHBondContact O-N 2.03Å; L294-F296 PolarHBondContact O-N 3.48Å; L294-Q297 WeakPolarHBondContact O-CB 3.05Å; L294-Q297 PolarHBondContact O-N 3.18Å |
| 295 | C | 59.3 | Low | 65.2 | Low | 85 Ų | 85 | 96.8 Ų | 96.8 | 57% | 0.574 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.5 | -33.7 | 173.7 | -166.9 | 0 | 0 | 0 | 0 | 111.1 | H291 N292 Q297 | H291-C295 WeakPolarHBondContact O-CB 3.43Å; H291-C295 PolarHBondContact O-N 2.85Å; N292-C295 PolarHBondContact O-N 3.38Å; C295-Q297 VanDerWaalsContact C-N 3.28Å; C295-Q297 PolarHBondContact O-N 3.32Å |
| 296 | F | 55 | Low | 62.2 | Low | 149 Ų | 149 | 104.9 Ų | 104.9 | 65% | 0.654 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 6.3 | 172.8 | -70.9 | -64 | 0 | 0 | 0 | 114.5 | N292 L294 E298 | N292-F296 WeakPolarHBondContact O-CD2 3.11Å; N292-F296 PolarHBondContact O-N 2.89Å; N292-F296 VanDerWaalsContact O-N 3.1Å; L294-F296 PolarHBondContact O-N 3.48Å; F296-E298 PolarHBondContact O-N 3.09Å; F296-E298 VanDerWaalsContact O-N 3.09Å |
| 297 | Q | 57.5 | Low | 59.4 | Low | 66 Ų | 66 | 109.1 Ų | 109.1 | 31% | 0.308 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -65.3 | 115.5 | 168.2 | -167 | 166.6 | -14.4 | 0 | 0 | 106.8 | V293 L294 C295 F299 | V293-Q297 PolarHBondContact O-N 3.44Å; L294-Q297 WeakPolarHBondContact O-CB 3.05Å; L294-Q297 PolarHBondContact O-N 3.18Å; C295-Q297 VanDerWaalsContact C-N 3.28Å; C295-Q297 PolarHBondContact O-N 3.32Å; Q297-F299 VanDerWaalsContact C-N 3.28Å; Q297-F299 PolarHBondContact O-N 3.05Å |
| 298 | E | 46.1 | Very low | 56.7 | Low | 89 Ų | 89 | 112 Ų | 112 | 42% | 0.416 | 54% | 0.537 | S | S | . | . | trans | -49.1 | 96.1 | 173.1 | -69 | 169.4 | -172.3 | 0 | 0 | 107.5 | R137 F296 Y300 | R137-E298 IonicContact NH2-OE1 3.59Å; R137-E298 PolarHBondContact NH2-OE1 3.42Å; R137-E298 VanDerWaalsContact NH2-OE1 3.16Å; R137-E298 IonicContact NH2-OE2 3.93Å; F296-E298 PolarHBondContact O-N 3.09Å; F296-E298 VanDerWaalsContact O-N 3.09Å; E298-Y300 VanDerWaalsContact C-N 3.27Å; E298-Y300 PolarHBondContact O-N 2.71Å; E298-Y300 PolarHBondContact OE2-OH 2.86Å; E298-Y300 VanDerWaalsContact OE2-OH 3.13Å | ||
| 299 | F | 40.5 | Very low | 53.8 | Low | 170 Ų | 170 | 113.3 Ų | 113.3 | 75% | 0.746 | 55% | 0.551 | S | S | * | * | trans | -60.3 | 102.7 | 165.8 | -90.7 | -88.9 | 0 | 0 | 0 | 104.1 | Q297 H301 | Q297-F299 VanDerWaalsContact C-N 3.28Å; Q297-F299 PolarHBondContact O-N 3.05Å; F299-H301 PolarHBondContact O-N 3.39Å | ||
| 300 | Y | 36.7 | Very low | 51.2 | Low | 116 Ų | 116 | 118.4 Ų | 118.4 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | trans | -65.7 | 81.2 | 166.7 | -63.2 | -75.7 | 0 | 0 | 0 | 106.3 | E298 M302 | E298-Y300 VanDerWaalsContact C-N 3.27Å; E298-Y300 PolarHBondContact O-N 2.71Å; E298-Y300 PolarHBondContact OE2-OH 2.86Å; E298-Y300 VanDerWaalsContact OE2-OH 3.13Å; Y300-M302 PolarHBondContact O-N 3.23Å | ||
| 301 | H | 28.5 | Very low | 48.8 | Very low | 166 Ų | 166 | 126.5 Ų | 126.5 | 77% | 0.769 | 62% | 0.622 | S | S | * | * | trans | -59.9 | 96.7 | 148.8 | -85.2 | -77.6 | 0 | 0 | 0 | 104.9 | F299 I303 | F299-H301 PolarHBondContact O-N 3.39Å; H301-I303 VanDerWaalsContact C-N 3.28Å; H301-I303 PolarHBondContact O-N 2.83Å | ||
| 302 | M | 33.8 | Very low | 46.7 | Very low | 155 Ų | 155 | 128.3 Ų | 128.3 | 76% | 0.764 | 63% | 0.631 | S | S | * | * | trans | -56.1 | 106.7 | 151.2 | -67.7 | -97.7 | -70 | 0 | 0 | 103.9 | Y300 E304 | Y300-M302 PolarHBondContact O-N 3.23Å; M302-E304 PolarHBondContact O-N 3.23Å | ||
| 303 | I | 32.6 | Very low | 44.7 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 79% | 0.79 | 66% | 0.664 | S | S | * | * | trans | -66.2 | 97.7 | 152.5 | -61.2 | 173.9 | 0 | 0 | 0 | 102.1 | H301 E305 | H301-I303 VanDerWaalsContact C-N 3.28Å; H301-I303 PolarHBondContact O-N 2.83Å; I303-E305 VanDerWaalsContact C-N 3.28Å; I303-E305 PolarHBondContact O-N 3.19Å | ||
| 304 | E | 38.1 | Very low | 43 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | trans | -61.3 | 99.4 | 168.5 | -162.2 | 162.7 | -150.3 | 0 | 0 | 104.6 | M302 E306 | M302-E304 PolarHBondContact O-N 3.23Å; E304-E306 PolarHBondContact O-N 2.62Å | ||
| 305 | E | 36.4 | Very low | 41.8 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | trans | -65.4 | 91.2 | 165 | -110.5 | 179 | 172.6 | 0 | 0 | 105.7 | I303 S307 | I303-E305 VanDerWaalsContact C-N 3.28Å; I303-E305 PolarHBondContact O-N 3.19Å; E305-S307 PolarHBondContact O-N 3.48Å; E305-S307 PolarHBondContact O-OG 3.13Å | ||
| 306 | E | 34.2 | Very low | 41.3 | Very low | 192 Ų | 192 | 146.6 Ų | 146.6 | 90% | 0.897 | 72% | 0.716 | S | S | * | * | trans | -54.7 | 87.5 | 169.5 | -170.6 | 176.3 | 163.4 | 0 | 0 | 108.5 | E304 | E304-E306 PolarHBondContact O-N 2.62Š| ||
| 307 | S | 37.7 | Very low | 41.1 | Very low | 90 Ų | 90 | 147.8 Ų | 147.8 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | trans | -138.6 | 81.3 | 175.3 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | E305 | E305-S307 PolarHBondContact O-N 3.48Å; E305-S307 PolarHBondContact O-OG 3.13Å | ||
| 308 | Q | 37.8 | Very low | 40.7 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | trans | 52.7 | 103.5 | 133.4 | -62.7 | -178.9 | -21.7 | 0 | 0 | 120.3 | ||||
| 309 | M | 35.8 | Very low | 41.2 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | trans | 76.1 | 154 | 141.6 | -58.5 | -149 | -70.5 | 0 | 0 | 121.4 | ||||
| 310 | P | 38.9 | Very low | 41.6 | Very low | 124 Ų | 124 | 150 Ų | 150 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | -121.6 | 169.8 | -55.4 | 32.4 | -15.2 | 0 | 0 | 0 | 113.1 | |||||
| 311 | Q | 41.3 | Very low | 42 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | -60 | 131.8 | -172.8 | -169.8 | 173.7 | -39.3 | 0 | 0 | 116 | ||||
| 312 | E | 44.5 | Very low | 42.9 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | trans | 151.6 | 105.1 | 132.1 | -82.5 | -163.3 | 154.7 | 0 | 0 | 114.9 | ||||
| 313 | R | 45.8 | Very low | 43.7 | Very low | 255 Ų | 255 | 151.1 Ų | 151.1 | 96% | 0.962 | 74% | 0.735 | S | S | * | * | trans | -166.8 | 115.8 | 133.2 | -111 | -169.3 | -86.7 | -164.3 | -3.3 | 110.4 | ||||
| 314 | I | 49 | Very low | 44.2 | Very low | 96 Ų | 96 | 149.8 Ų | 149.8 | 49% | 0.492 | 74% | 0.737 | S | S | . | * | trans | -99 | 142.2 | -172.5 | -74.4 | 179.9 | 0 | 0 | 0 | 111.8 | F318 | I314-F318 HydrophobicContact CB-CD2 3.98Å; I314-F318 HydrophobicContact CB-CE2 3.95Å; I314-F318 HydrophobicContact CD1-CD1 4.36Å; I314-F318 HydrophobicContact CD1-CD2 4.4Å; I314-F318 HydrophobicContact CD1-CE1 3.95Å; I314-F318 HydrophobicContact CD1-CE2 3.98Å; I314-F318 HydrophobicContact CD1-CZ 3.72Å; I314-F318 HydrophobicContact CG1-CD2 3.98Å; I314-F318 HydrophobicContact CG1-CE1 4.38Å; I314-F318 HydrophobicContact CG1-CE2 3.47Å; I314-F318 VanDerWaalsContact CG1-CE2 3.47Å; I314-F318 HydrophobicContact CG1-CZ 3.69Å; I314-F318 HydrophobicContact CG2-CB 3.91Å; I314-F318 HydrophobicContact CG2-CD1 4.36Å; I314-F318 HydrophobicContact CG2-CD2 3.28Å; I314-F318 HydrophobicContact CG2-CE2 3.77Å; I314-F318 HydrophobicContact CG2-CG 3.59Å; I314-F318 HydrophobicContact CG2-CZ 4.48Å | ||
| 315 | S | 47.6 | Very low | 44.6 | Very low | 97 Ų | 97 | 149.3 Ų | 149.3 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | trans | 118.5 | 143.7 | 152.3 | 80.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 316 | P | 48.9 | Very low | 44.9 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | S | Bend | cis | -107.1 | -4.1 | 34.3 | 38.3 | -33 | 0 | 0 | 0 | 117 | F318 S319 | P316-F318 PolarHBondContact O-N 2.86Å; P316-S319 WeakPolarHBondContact O-CB 2.92Å; P316-S319 PolarHBondContact O-OG 3.21Å |
| 317 | F | 50.5 | Low | 45.6 | Very low | 175 Ų | 175 | 147 Ų | 147 | 77% | 0.768 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -75.3 | -15.5 | -173.1 | -174.5 | -101 | 0 | 0 | 0 | 115.5 | S319 | F317-S319 PolarHBondContact O-N 3.26Š|
| 318 | F | 51 | Low | 46 | Very low | 123 Ų | 123 | 147 Ų | 147 | 54% | 0.539 | 73% | 0.732 | S | S | . | * | G | 310 helix | trans | -65.3 | 1.1 | 173.6 | -80 | -92.2 | 0 | 0 | 0 | 113.7 | I314 P316 | I314-F318 HydrophobicContact CB-CD2 3.98Å; I314-F318 HydrophobicContact CB-CE2 3.95Å; I314-F318 HydrophobicContact CD1-CD1 4.36Å; I314-F318 HydrophobicContact CD1-CD2 4.4Å; I314-F318 HydrophobicContact CD1-CE1 3.95Å; I314-F318 HydrophobicContact CD1-CE2 3.98Å; I314-F318 HydrophobicContact CD1-CZ 3.72Å; I314-F318 HydrophobicContact CG1-CD2 3.98Å; I314-F318 HydrophobicContact CG1-CE1 4.38Å; I314-F318 HydrophobicContact CG1-CE2 3.47Å; I314-F318 VanDerWaalsContact CG1-CE2 3.47Å; I314-F318 HydrophobicContact CG1-CZ 3.69Å; I314-F318 HydrophobicContact CG2-CB 3.91Å; I314-F318 HydrophobicContact CG2-CD1 4.36Å; I314-F318 HydrophobicContact CG2-CD2 3.28Å; I314-F318 HydrophobicContact CG2-CE2 3.77Å; I314-F318 HydrophobicContact CG2-CG 3.59Å; I314-F318 HydrophobicContact CG2-CZ 4.48Å; P316-F318 PolarHBondContact O-N 2.86Å |
| 319 | S | 55.3 | Low | 46.2 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -83.4 | -20 | -176.6 | 58 | 0 | 0 | 0 | 0 | 115.7 | P316 F317 | P316-S319 WeakPolarHBondContact O-CB 2.92Å; P316-S319 PolarHBondContact O-OG 3.21Å; F317-S319 PolarHBondContact O-N 3.26Å |
| 320 | W | 49.4 | Very low | 46.7 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 59% | 0.587 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -93.5 | -16.9 | -171.1 | -100.9 | 37.3 | 0 | 0 | 0 | 116 | ||
| 321 | F | 44.4 | Very low | 47.1 | Very low | 85 Ų | 85 | 143.1 Ų | 143.1 | 37% | 0.373 | 70% | 0.704 | S | S | . | * | trans | -135.3 | 101.9 | 179.8 | -88.7 | -92.8 | 0 | 0 | 0 | 111.7 | R240 L323 | R240-F321 HydrophobicContact CB-CD2 4.03Å; R240-F321 HydrophobicContact CB-CE1 4.38Å; R240-F321 HydrophobicContact CB-CE2 3.1Å; R240-F321 HydrophobicContact CB-CZ 3.33Å; R240-F321 VanDerWaalsContact CD-CZ 3.42Å; R240-F321 HydrophobicContact CG-CD1 4.39Å; R240-F321 HydrophobicContact CG-CD2 3.91Å; R240-F321 HydrophobicContact CG-CE1 3.63Å; R240-F321 HydrophobicContact CG-CE2 3.21Å; R240-F321 HydrophobicContact CG-CZ 3.04Å; R240-F321 WeakPolarHBondContact O-CZ 3.36Å; F321-L323 PolarHBondContact O-N 3.22Å | ||
| 322 | R | 47.9 | Very low | 47.1 | Very low | 251 Ų | 251 | 139.3 Ų | 139.3 | 95% | 0.947 | 69% | 0.693 | S | S | * | * | trans | -87.8 | 91.4 | 171.5 | -154.1 | -161.9 | -81.4 | -177.9 | -5 | 108.7 | ||||
| 323 | L | 50.6 | Low | 47 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | trans | -81.5 | 133.8 | 158.4 | -74.9 | 103 | 0 | 0 | 0 | 108.1 | F321 R325 | F321-L323 PolarHBondContact O-N 3.22Å; L323-R325 PolarHBondContact O-N 2.63Å | ||
| 324 | P | 42.8 | Very low | 47 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -66.3 | 106.1 | 171.9 | 26.6 | -29.1 | 0 | 0 | 0 | 108 | V326 | P324-V326 PolarHBondContact O-N 3.12Š| ||
| 325 | R | 46.3 | Very low | 46.8 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 60% | 0.6 | 66% | 0.655 | S | S | * | * | trans | -76.9 | 121.2 | 172.7 | -63.5 | -169.6 | -144.7 | -179.2 | 8.9 | 108 | L323 H327 | L323-R325 PolarHBondContact O-N 2.63Å; R325-H327 PolarHBondContact O-N 3.04Å; R325-H327 VanDerWaalsContact O-N 3.15Å | ||
| 326 | V | 43.6 | Very low | 46.5 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 88% | 0.879 | 66% | 0.658 | S | S | * | * | trans | -67 | 106.7 | 159.1 | 178 | 0 | 0 | 0 | 0 | 105.7 | P324 A328 | P324-V326 PolarHBondContact O-N 3.12Å; V326-A328 PolarHBondContact O-N 3.46Å | ||
| 327 | H | 47.6 | Very low | 46.1 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 77% | 0.769 | 66% | 0.657 | S | S | * | * | trans | -76.1 | 103.7 | 175.6 | -77.8 | -80.5 | 0 | 0 | 0 | 108.8 | R325 | R325-H327 PolarHBondContact O-N 3.04Å; R325-H327 VanDerWaalsContact O-N 3.15Å | ||
| 328 | A | 46.2 | Very low | 45.7 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 75% | 0.752 | 66% | 0.663 | S | S | * | * | trans | -73.6 | 120.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | V326 E330 | V326-A328 PolarHBondContact O-N 3.46Å; A328-E330 PolarHBondContact O-N 3.48Å | ||
| 329 | K | 43 | Very low | 45.2 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 68% | 0.683 | 68% | 0.677 | S | S | * | * | trans | -69.6 | 112.5 | 176.8 | -135.5 | -176.7 | -177 | -168.6 | 0 | 107.2 | T375 | K329-T375 PolarHBondContact NZ-O 3.48Å; K329-T375 VanDerWaalsContact NZ-O 3.16Å; K329-T375 PolarHBondContact NZ-OG1 2.8Å | ||
| 330 | E | 46.6 | Very low | 44.4 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -70.5 | 136.1 | 169.5 | -81.2 | 177.6 | 173.2 | 0 | 0 | 109.7 | A328 T332 | A328-E330 PolarHBondContact O-N 3.48Å; E330-T332 PolarHBondContact O-N 2.79Å | ||
| 331 | P | 46.5 | Very low | 44 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 47% | 0.468 | 70% | 0.698 | S | S | . | * | trans | -66.6 | 127.1 | -174.7 | 22 | -29.6 | 0 | 0 | 0 | 112.9 | Y333 T373 | P331-Y333 HydrophobicContact CG-CE2 4.39Å; P331-Y333 PolarHBondContact O-N 3.28Å; P331-T373 HydrophobicContact CB-CG2 4.21Å; P331-T373 WeakPolarHBondContact CB-OG1 3.48Å | ||
| 332 | T | 42.5 | Very low | 43.6 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 60% | 0.601 | 72% | 0.718 | S | S | * | * | trans | -82 | 105.3 | 177.5 | 42.4 | 0 | 0 | 0 | 0 | 112.9 | E330 S334 T373 | E330-T332 PolarHBondContact O-N 2.79Å; T332-S334 PolarHBondContact O-N 3Å; T332-T373 WeakPolarHBondContact O-CA 3.02Å; T332-T373 WeakPolarHBondContact O-CB 3.31Å; T332-T373 WeakPolarHBondContact O-CG2 3.43Å | ||
| 333 | Y | 42.5 | Very low | 42.8 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 66% | 0.659 | 71% | 0.714 | S | S | * | * | trans | -75.8 | 106.6 | 178.3 | -75.8 | -56.2 | 0 | 0 | 0 | 113.4 | P331 V371 T373 | P331-Y333 HydrophobicContact CG-CE2 4.39Å; P331-Y333 PolarHBondContact O-N 3.28Å; Y333-V371 VanDerWaalsContact CA-CG1 3.42Å; Y333-V371 HydrophobicContact CD1-CB 3.52Å; Y333-V371 HydrophobicContact CD1-CG1 3.32Å; Y333-V371 HydrophobicContact CD1-CG2 4.44Å; Y333-V371 HydrophobicContact CE1-CB 4.29Å; Y333-V371 HydrophobicContact CE1-CG1 4.48Å; Y333-V371 HydrophobicContact CG-CB 4.32Å; Y333-V371 HydrophobicContact CG-CG1 3.69Å; Y333-T373 HydrophobicContact CD1-CG2 3.17Å; Y333-T373 HydrophobicContact CE1-CG2 3.66Å; Y333-T373 HydrophobicContact CG-CG2 3.7Å; Y333-T373 VanDerWaalsContact N-CG2 3.32Å | ||
| 334 | S | 45.9 | Very low | 41.9 | Very low | 47 Ų | 47 | 136.8 Ų | 136.8 | 33% | 0.329 | 72% | 0.723 | S | S | . | * | B | Isolated β-bridge | trans | -106.4 | 118.5 | 167 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | T332 T372 | T332-S334 PolarHBondContact O-N 3Å; S334-T372 PolarHBondContact OG-O 3.08Å |
| 335 | V | 42.8 | Very low | 41.7 | Very low | 74 Ų | 74 | 138 Ų | 138 | 45% | 0.448 | 73% | 0.727 | S | S | . | * | trans | -94.8 | 115.5 | 171.9 | 179 | 0 | 0 | 0 | 0 | 108.5 | Y369 V371 | V335-Y369 HydrophobicContact CG1-CD1 3.37Å; V335-Y369 HydrophobicContact CG1-CE1 4.25Å; V335-Y369 HydrophobicContact CG1-CG 3.93Å; V335-V371 HydrophobicContact CG2-CB 4.45Å; V335-V371 HydrophobicContact CG2-CG1 3.83Å; V335-V371 HydrophobicContact CG2-CG2 3.85Å | ||
| 336 | Y | 41.6 | Very low | 41.3 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | trans | -90.1 | 118.9 | 167.4 | -65.3 | -87.3 | 0 | 0 | 0 | 108.3 | E338 | Y336-E338 PolarHBondContact O-N 3.17Š| ||
| 337 | A | 40.5 | Very low | 40.9 | Very low | 85 Ų | 85 | 134.3 Ų | 134.3 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | trans | -86.2 | 103.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 338 | E | 42.1 | Very low | 40.6 | Very low | 190 Ų | 190 | 130.6 Ų | 130.6 | 89% | 0.888 | 73% | 0.725 | S | S | * | * | trans | -75.9 | 123.1 | 171.9 | -158.8 | 165.1 | -168.4 | 0 | 0 | 108.9 | Y336 E340 | Y336-E338 PolarHBondContact O-N 3.17Å; E338-E340 PolarHBondContact O-N 2.03Å | ||
| 339 | N | 41.1 | Very low | 40.3 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | trans | -65.2 | 120.3 | -179.7 | -82.5 | -32.5 | 0 | 0 | 0 | 110.5 | S341 | N339-S341 PolarHBondContact O-N 3.4Å; N339-S341 VanDerWaalsContact O-N 3.15Å | ||
| 340 | E | 39.1 | Very low | 39.9 | Very low | 199 Ų | 199 | 128.9 Ų | 128.9 | 93% | 0.93 | 73% | 0.732 | S | S | * | * | trans | -66.4 | 108.1 | 162.7 | -71.9 | -177.6 | 132.1 | 0 | 0 | 109.4 | E338 | E338-E340 PolarHBondContact O-N 2.03Š| ||
| 341 | S | 40.3 | Very low | 39.3 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -78.1 | 151.5 | 167.7 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | N339 | N339-S341 PolarHBondContact O-N 3.4Å; N339-S341 VanDerWaalsContact O-N 3.15Å | ||
| 342 | P | 35.7 | Very low | 38.9 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | trans | -80.7 | 149.9 | -157.9 | 31 | -34.7 | 0 | 0 | 0 | 115.8 | ||||
| 343 | Q | 31.1 | Very low | 38.4 | Very low | 184 Ų | 184 | 132.4 Ų | 132.4 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -8 | 133.7 | 162.1 | -62.6 | -175.2 | -17 | 0 | 0 | 118.5 | ||||
| 344 | L | 32.5 | Very low | 37.9 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -178.7 | 122.2 | 136.2 | -101.1 | 148.2 | 0 | 0 | 0 | 109.1 | ||||
| 345 | V | 37.8 | Very low | 37.4 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -179.4 | 140.4 | 134.7 | 168.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 346 | V | 39.1 | Very low | 36.8 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | -108.6 | 151.8 | -154.3 | 160.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 347 | S | 35.2 | Very low | 36.5 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | 63.7 | 121.6 | 154.2 | -72.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 348 | A | 41.4 | Very low | 35.9 | Very low | 89 Ų | 89 | 152.5 Ų | 152.5 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | -163.3 | 115.3 | 108.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 349 | T | 38 | Very low | 35.6 | Very low | 143 Ų | 143 | 151 Ų | 151 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | 37.8 | 124.6 | 136.2 | 53.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 350 | G | 34.5 | Very low | 35.2 | Very low | 68 Ų | 68 | 151.5 Ų | 151.5 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | 158 | 71.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 351 | T | 35.1 | Very low | 34.9 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | 43 | 110 | 139.3 | 12.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 352 | Q | 38.9 | Very low | 34.5 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 92.5 | 144.6 | 134.5 | -79.3 | -168.1 | 24 | 0 | 0 | 122.4 | ||||
| 353 | P | 32.1 | Very low | 34.5 | Very low | 104 Ų | 104 | 152.9 Ų | 152.9 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | trans | -112.8 | 174.9 | -157.8 | 41 | -27 | 0 | 0 | 0 | 113.6 | ||||
| 354 | R | 31.8 | Very low | 34.7 | Very low | 235 Ų | 235 | 151.9 Ų | 151.9 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | 79 | 123.7 | 179.7 | -56.4 | 173.1 | 160.3 | 166.9 | -5.6 | 111.2 | ||||
| 355 | T | 34.8 | Very low | 35 | Very low | 135 Ų | 135 | 152.6 Ų | 152.6 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | -172.8 | 149.1 | 64.2 | -43 | 0 | 0 | 0 | 0 | 108.8 | Q357 | T355-Q357 PolarHBondContact O-N 2.95Š| |||
| 356 | R | 30.1 | Very low | 34.8 | Very low | 240 Ų | 240 | 153 Ų | 153 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -36 | 128.7 | 167.7 | -77.3 | 170 | 160.8 | 162.2 | -6 | 113.1 | ||||
| 357 | Q | 34.7 | Very low | 34.6 | Very low | 195 Ų | 195 | 155.7 Ų | 155.7 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -158 | 130.1 | 136.9 | -113.1 | 168.4 | 6.7 | 0 | 0 | 112 | T355 | T355-Q357 PolarHBondContact O-N 2.95Š| ||
| 358 | R | 29.5 | Very low | 34.7 | Very low | 180 Ų | 180 | 155.5 Ų | 155.5 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | trans | -81.6 | 118.2 | 178.3 | 176 | -173.9 | -164.9 | 168 | 8.3 | 107.3 | M1 | M1-R358 VanDerWaalsContact C-NH2 3.34Å; M1-R358 PolarHBondContact O-NH2 3Å | ||
| 359 | L | 35.4 | Very low | 34.4 | Very low | 160 Ų | 160 | 158 Ų | 158 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -145.3 | 129.5 | 159.3 | -127.6 | 111.7 | 0 | 0 | 0 | 110.2 | ||||
| 360 | E | 31.7 | Very low | 34.2 | Very low | 165 Ų | 165 | 159 Ų | 159 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -52.7 | 128.3 | 170.4 | -67 | 147.6 | 139.8 | 0 | 0 | 110.3 | ||||
| 361 | N | 33.4 | Very low | 34.4 | Very low | 163 Ų | 163 | 158.3 Ų | 158.3 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | -167 | 134.7 | 129.3 | -109.7 | -30.7 | 0 | 0 | 0 | 110.3 | |||||
| 362 | G | 32.7 | Very low | 34.5 | Very low | 62 Ų | 62 | 155.9 Ų | 155.9 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | trans | -62.9 | 159.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 363 | R | 35.9 | Very low | 34.5 | Very low | 235 Ų | 235 | 149.2 Ų | 149.2 | 89% | 0.887 | 73% | 0.726 | S | S | * | * | -166.5 | 109.8 | 126.6 | -102.3 | 158.5 | -170.3 | 175.8 | 3.1 | 106.2 | L365 | R363-L365 PolarHBondContact O-N 3.06Š| |||
| 364 | N | 35.1 | Very low | 34.9 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | -47.2 | 110.6 | 161.6 | -68.4 | -51.1 | 0 | 0 | 0 | 107.1 | H366 | N364-H366 VanDerWaalsContact C-N 3.28Å; N364-H366 PolarHBondContact O-N 3.47Å | ||
| 365 | L | 37.2 | Very low | 35.2 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 90% | 0.901 | 71% | 0.71 | S | S | * | * | trans | -71 | 98.6 | 172.5 | -126 | 95 | 0 | 0 | 0 | 107 | R363 K367 | R363-L365 PolarHBondContact O-N 3.06Å; L365-K367 PolarHBondContact O-N 3.49Å | ||
| 366 | H | 33.9 | Very low | 35.2 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | trans | -44.2 | 107.4 | 168.9 | -138.3 | -143.1 | 0 | 0 | 0 | 109.6 | N364 T368 | N364-H366 VanDerWaalsContact C-N 3.28Å; N364-H366 PolarHBondContact O-N 3.47Å; H366-T368 WeakPolarHBondContact ND1-CG2 3.35Å; H366-T368 PolarHBondContact O-N 3.17Å | ||
| 367 | K | 35.7 | Very low | 35.6 | Very low | 169 Ų | 169 | 139 Ų | 139 | 74% | 0.735 | 71% | 0.706 | S | S | * | * | trans | -84.2 | 92.4 | 155.8 | -84.4 | -170.2 | 174.7 | -174.1 | 0 | 106.9 | L365 Y369 | L365-K367 PolarHBondContact O-N 3.49Å; K367-Y369 HydrophobicContact CB-CE2 4.03Å; K367-Y369 PolarHBondContact O-N 3.25Å | ||
| 368 | T | 36 | Very low | 35.5 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | trans | -63.2 | 117 | 165.2 | 38.7 | 0 | 0 | 0 | 0 | 108.5 | H366 | H366-T368 WeakPolarHBondContact ND1-CG2 3.35Å; H366-T368 PolarHBondContact O-N 3.17Å | ||
| 369 | Y | 35.6 | Very low | 36 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 56% | 0.557 | 72% | 0.716 | S | S | * | * | trans | -101.7 | 109.4 | 161.6 | -63.6 | -76.2 | 0 | 0 | 0 | 106.5 | V335 K367 V371 | V335-Y369 HydrophobicContact CG1-CD1 3.37Å; V335-Y369 HydrophobicContact CG1-CE1 4.25Å; V335-Y369 HydrophobicContact CG1-CG 3.93Å; K367-Y369 HydrophobicContact CB-CE2 4.03Å; K367-Y369 PolarHBondContact O-N 3.25Å; Y369-V371 WeakPolarHBondContact O-CG2 2.9Å | ||
| 370 | E | 34.9 | Very low | 35.8 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 77% | 0.771 | 72% | 0.721 | S | S | * | * | trans | -66.3 | 129.7 | 165 | -100.7 | -175.8 | 163 | 0 | 0 | 108.2 | ||||
| 371 | V | 38.5 | Very low | 36.1 | Very low | 52 Ų | 52 | 142.9 Ų | 142.9 | 32% | 0.315 | 72% | 0.723 | S | S | . | * | trans | -127.8 | 90.7 | 179.7 | -147.4 | 0 | 0 | 0 | 0 | 107.9 | Y333 V335 Y369 | Y333-V371 VanDerWaalsContact CA-CG1 3.42Å; Y333-V371 HydrophobicContact CD1-CB 3.52Å; Y333-V371 HydrophobicContact CD1-CG1 3.32Å; Y333-V371 HydrophobicContact CD1-CG2 4.44Å; Y333-V371 HydrophobicContact CE1-CB 4.29Å; Y333-V371 HydrophobicContact CE1-CG1 4.48Å; Y333-V371 HydrophobicContact CG-CB 4.32Å; Y333-V371 HydrophobicContact CG-CG1 3.69Å; V335-V371 HydrophobicContact CG2-CB 4.45Å; V335-V371 HydrophobicContact CG2-CG1 3.83Å; V335-V371 HydrophobicContact CG2-CG2 3.85Å; Y369-V371 WeakPolarHBondContact O-CG2 2.9Å | ||
| 372 | T | 36.7 | Very low | 36.4 | Very low | 82 Ų | 82 | 142.5 Ų | 142.5 | 50% | 0.503 | 72% | 0.719 | S | S | . | * | B | Isolated β-bridge | trans | -83.4 | 123.3 | 177.3 | 41.4 | 0 | 0 | 0 | 0 | 109.3 | S334 | S334-T372 PolarHBondContact OG-O 3.08Å |
| 373 | T | 38.1 | Very low | 36.7 | Very low | 45 Ų | 45 | 144.8 Ų | 144.8 | 28% | 0.276 | 73% | 0.725 | S | S | . | * | trans | -123.2 | 90.2 | 178.8 | 69.8 | 0 | 0 | 0 | 0 | 109.2 | P331 T332 Y333 | P331-T373 HydrophobicContact CB-CG2 4.21Å; P331-T373 WeakPolarHBondContact CB-OG1 3.48Å; T332-T373 WeakPolarHBondContact O-CA 3.02Å; T332-T373 WeakPolarHBondContact O-CB 3.31Å; T332-T373 WeakPolarHBondContact O-CG2 3.43Å; Y333-T373 HydrophobicContact CD1-CG2 3.17Å; Y333-T373 HydrophobicContact CE1-CG2 3.66Å; Y333-T373 HydrophobicContact CG-CG2 3.7Å; Y333-T373 VanDerWaalsContact N-CG2 3.32Å | ||
| 374 | T | 41 | Very low | 37.1 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | trans | -86 | 123.5 | 173.4 | 52.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 375 | T | 38.9 | Very low | 37.3 | Very low | 88 Ų | 88 | 136.7 Ų | 136.7 | 54% | 0.54 | 72% | 0.721 | S | S | . | * | 172.4 | 93.8 | 121.1 | 44.4 | 0 | 0 | 0 | 0 | 111.1 | K329 | K329-T375 PolarHBondContact NZ-O 3.48Å; K329-T375 VanDerWaalsContact NZ-O 3.16Å; K329-T375 PolarHBondContact NZ-OG1 2.8Å | |||
| 376 | E | 35.5 | Very low | 37.5 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 87% | 0.869 | 71% | 0.713 | S | S | * | * | trans | -74.5 | 167 | 154.9 | -70.7 | -173.6 | 139.4 | 0 | 0 | 111.9 | ||||
| 377 | S | 38.1 | Very low | 37.7 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | 96.9 | 101.6 | 162.9 | 78.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 378 | F | 32.8 | Very low | 37.8 | Very low | 221 Ų | 221 | 131.1 Ų | 131.1 | 97% | 0.969 | 72% | 0.717 | S | S | * | * | trans | -137.5 | 80.6 | 144.4 | -113.9 | -84.3 | 0 | 0 | 0 | 107.2 | ||||
| 379 | Q | 39.5 | Very low | 38.1 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | trans | -95.2 | 126 | 163.4 | -126.7 | 167.5 | -34.3 | 0 | 0 | 106.9 | T381 | Q379-T381 PolarHBondContact O-N 3.09Š| ||
| 380 | R | 31.3 | Very low | 38.3 | Very low | 249 Ų | 249 | 134.2 Ų | 134.2 | 94% | 0.94 | 74% | 0.739 | S | S | * | * | trans | -45.8 | 125.6 | 174.9 | -79.1 | 175.1 | 172.1 | 144.2 | -4.2 | 110.5 | ||||
| 381 | T | 37 | Very low | 38.6 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | trans | -131.1 | 119.1 | 154.4 | -35.1 | 0 | 0 | 0 | 0 | 108.3 | Q379 S383 | Q379-T381 PolarHBondContact O-N 3.09Å; T381-S383 PolarHBondContact O-N 3.36Å | ||
| 382 | I | 41.1 | Very low | 38.8 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 126.8 | 175 | -66 | 157.6 | 0 | 0 | 0 | 107.6 | ||
| 383 | S | 37.4 | Very low | 38.9 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 127.6 | 171.2 | -32.2 | 0 | 0 | 0 | 0 | 109.2 | T381 | T381-S383 PolarHBondContact O-N 3.36Š|
| 384 | P | 45.6 | Very low | 39 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 129 | 162 | 32.1 | -27.6 | 0 | 0 | 0 | 108.9 | ||
| 385 | A | 39.1 | Very low | 39 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87 | 137.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 386 | G | 41.2 | Very low | 39 | Very low | 71 Ų | 71 | 153.6 Ų | 153.6 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | trans | 120.3 | 133.2 | 151 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 387 | Q | 38.6 | Very low | 39.2 | Very low | 179 Ų | 179 | 151.8 Ų | 151.8 | 84% | 0.836 | 83% | 0.833 | S | S | * | * | trans | 78.3 | 103.2 | 150.6 | -80.5 | 177.3 | -21.4 | 0 | 0 | 117.2 | ||||
| 388 | N | 37.8 | Very low | 39.3 | Very low | 133 Ų | 133 | 154.2 Ų | 154.2 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | 87.8 | 105.1 | 87.4 | -102 | 7.2 | 0 | 0 | 0 | 111.1 | |||||
| 389 | N | 40.8 | Very low | 39.7 | Very low | 147 Ų | 147 | 150.2 Ų | 150.2 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | 170.1 | 123.7 | 104.4 | -86.1 | -21.9 | 0 | 0 | 0 | 110.8 | |||||
| 390 | N | 41 | Very low | 39.7 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | -70.7 | 134.7 | 158.1 | -66.4 | -34 | 0 | 0 | 0 | 109.4 | ||||
| 391 | A | 41.2 | Very low | 40.2 | Very low | 84 Ų | 84 | 141.7 Ų | 141.7 | 69% | 0.694 | 82% | 0.82 | S | S | * | * | trans | 174.6 | 110.8 | 145 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 392 | V | 42 | Very low | 40.5 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | 58.7 | 110.8 | 93.3 | -179 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 393 | T | 39.9 | Very low | 40.4 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | -171.2 | 152 | 80 | 6.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 394 | N | 38.5 | Very low | 40.7 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -48.4 | 137.8 | 165.5 | -63.3 | -49.5 | 0 | 0 | 0 | 114.2 | ||||
| 395 | Y | 42.4 | Very low | 40.2 | Very low | 302 Ų | 302 | 145.6 Ų | 145.6 | 100% | 1.184 | 83% | 0.828 | S | S | * | * | -167.6 | 0 | 110.6 | -108.2 | -77.8 | 0 | 0 | 0 | 109.5 |
Retrieved 395 of 395 residues in 340 ms
(Link to these results)